| 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 | 33.3 | Very low | 42.2 | Very low | 242 Ų | 242 | 129.4 Ų | 129.4 | 100% | 1.192 | 70% | 0.696 | S | S | * | * | 0 | 136 | 0 | -68.6 | 177 | 177.1 | 0 | 0 | 107.5 | A3 | M1-A3 PolarHBondContact O-N 3.06Š| |||
| 2 | S | 33.5 | Very low | 43.4 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 83% | 0.832 | 69% | 0.688 | S | S | * | * | trans | -76.8 | 106.2 | -169 | -48.3 | 0 | 0 | 0 | 0 | 112.2 | S4 | S2-S4 VanDerWaalsContact C-N 3.33Å; S2-S4 PolarHBondContact O-N 2.77Å | ||
| 3 | A | 40.1 | Very low | 44.6 | Very low | 77 Ų | 77 | 128.4 Ų | 128.4 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | trans | -75.5 | 84.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | M1 L5 | M1-A3 PolarHBondContact O-N 3.06Å; A3-L5 HydrophobicContact CB-CD2 4.33Å; A3-L5 HydrophobicContact CB-CG 4.09Å; A3-L5 PolarHBondContact O-N 2.93Å | ||
| 4 | S | 36.5 | Very low | 45.7 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 82% | 0.818 | 66% | 0.658 | S | S | * | * | trans | -70.5 | 72.2 | 170.1 | -64.8 | 0 | 0 | 0 | 0 | 110.3 | S2 N6 | S2-S4 VanDerWaalsContact C-N 3.33Å; S2-S4 PolarHBondContact O-N 2.77Å; S4-N6 PolarHBondContact O-N 3.36Å | ||
| 5 | L | 43.2 | Very low | 47 | Very low | 146 Ų | 146 | 124.8 Ų | 124.8 | 76% | 0.764 | 65% | 0.647 | S | S | * | * | trans | -68.8 | 90.2 | -172.7 | -68.7 | 175.1 | 0 | 0 | 0 | 112.6 | A3 Y7 | A3-L5 HydrophobicContact CB-CD2 4.33Å; A3-L5 HydrophobicContact CB-CG 4.09Å; A3-L5 PolarHBondContact O-N 2.93Å; L5-Y7 PolarHBondContact O-N 3.25Å | ||
| 6 | N | 47.4 | Very low | 48.5 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 63% | 0.631 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 49.3 | -1.9 | 150.5 | -105.6 | -4.6 | 0 | 0 | 0 | 121.5 | S4 K8 S9 F10 | S4-N6 PolarHBondContact O-N 3.36Å; N6-K8 VanDerWaalsContact C-N 3.26Å; N6-K8 PolarHBondContact O-N 3.31Å; N6-S9 WeakPolarHBondContact O-CA 3.2Å; N6-S9 VanDerWaalsContact O-CB 3.31Å; N6-S9 WeakPolarHBondContact O-CB 3.38Å; N6-S9 PolarHBondContact O-N 2.82Å; N6-S9 PolarHBondContact O-OG 2.77Å; N6-S9 PolarHBondContact OD1-OG 3.43Å; N6-F10 PolarHBondContact O-N 3.32Å; N6-F10 VanDerWaalsContact O-N 3.09Å |
| 7 | Y | 41.9 | Very low | 49.8 | Very low | 196 Ų | 196 | 117.8 Ų | 117.8 | 77% | 0.769 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.4 | -34.4 | -176.3 | -164.9 | -95.9 | 0 | 0 | 0 | 112.7 | L5 S9 S11 | L5-Y7 PolarHBondContact O-N 3.25Å; Y7-S9 VanDerWaalsContact C-N 3.34Å; Y7-S11 WeakPolarHBondContact O-CB 3.43Å; Y7-S11 PolarHBondContact O-N 2.86Å |
| 8 | K | 42.2 | Very low | 51.1 | Low | 190 Ų | 190 | 114.1 Ų | 114.1 | 83% | 0.826 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.2 | -24.9 | 174.4 | -68.1 | -169.9 | 176.7 | -173.3 | 0 | 113.8 | N6 K12 | N6-K8 VanDerWaalsContact C-N 3.26Å; N6-K8 PolarHBondContact O-N 3.31Å; K8-K12 WeakPolarHBondContact O-CB 3.46Å; K8-K12 PolarHBondContact O-N 3.19Å |
| 9 | S | 46.3 | Very low | 52.6 | Low | 40 Ų | 40 | 112.7 Ų | 112.7 | 28% | 0.28 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -72.3 | -59 | 172.5 | -39 | 0 | 0 | 0 | 0 | 108.1 | N6 Y7 S11 K12 E13 | N6-S9 WeakPolarHBondContact O-CA 3.2Å; N6-S9 VanDerWaalsContact O-CB 3.31Å; N6-S9 WeakPolarHBondContact O-CB 3.38Å; N6-S9 PolarHBondContact O-N 2.82Å; N6-S9 PolarHBondContact O-OG 2.77Å; N6-S9 PolarHBondContact OD1-OG 3.43Å; Y7-S9 VanDerWaalsContact C-N 3.34Å; S9-S11 VanDerWaalsContact C-N 3.31Å; S9-S11 PolarHBondContact O-N 3.02Å; S9-K12 CarbonylContact O-C 3.16Å; S9-K12 WeakPolarHBondContact O-CA 3.39Å; S9-K12 WeakPolarHBondContact O-CB 3.34Å; S9-K12 PolarHBondContact O-N 3.19Å; S9-E13 VanDerWaalsContact C-CD 3.45Å; S9-E13 WeakPolarHBondContact CB-OE2 3.26Å; S9-E13 PolarHBondContact O-N 2.94Å; S9-E13 VanDerWaalsContact O-OE2 3.06Å |
| 10 | F | 44.5 | Very low | 54 | Low | 129 Ų | 129 | 111.2 Ų | 111.2 | 57% | 0.566 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -56.7 | -41.2 | -176.6 | -147.7 | -88.5 | 0 | 0 | 0 | 112.9 | N6 K12 E13 Q14 | N6-F10 PolarHBondContact O-N 3.32Å; N6-F10 VanDerWaalsContact O-N 3.09Å; F10-K12 VanDerWaalsContact C-N 3.31Å; F10-K12 PolarHBondContact O-N 3.32Å; F10-E13 PolarHBondContact N-OE2 3.5Å; F10-Q14 WeakPolarHBondContact O-CB 3.21Å; F10-Q14 PolarHBondContact O-N 3.33Å |
| 11 | S | 55.6 | Low | 55.4 | Low | 49 Ų | 49 | 109.1 Ų | 109.1 | 34% | 0.343 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.2 | -31.9 | 174.8 | -178.2 | 0 | 0 | 0 | 0 | 113.3 | Y7 S9 Q15 | Y7-S11 WeakPolarHBondContact O-CB 3.43Å; Y7-S11 PolarHBondContact O-N 2.86Å; S9-S11 VanDerWaalsContact C-N 3.31Å; S9-S11 PolarHBondContact O-N 3.02Å; S11-Q15 WeakPolarHBondContact O-CB 3.37Å; S11-Q15 WeakPolarHBondContact O-CG 3.31Å; S11-Q15 PolarHBondContact O-N 2.93Å |
| 12 | K | 55.8 | Low | 57.7 | Low | 139 Ų | 139 | 104.4 Ų | 104.4 | 60% | 0.604 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -79.6 | -41.1 | 177.7 | -172.2 | 176.6 | -178.5 | 178.8 | 0 | 111.7 | K8 S9 F10 Q15 T16 | K8-K12 WeakPolarHBondContact O-CB 3.46Å; K8-K12 PolarHBondContact O-N 3.19Å; S9-K12 CarbonylContact O-C 3.16Å; S9-K12 WeakPolarHBondContact O-CA 3.39Å; S9-K12 WeakPolarHBondContact O-CB 3.34Å; S9-K12 PolarHBondContact O-N 3.19Å; F10-K12 VanDerWaalsContact C-N 3.31Å; F10-K12 PolarHBondContact O-N 3.32Å; K12-Q15 PolarHBondContact O-N 2.89Å; K12-T16 WeakPolarHBondContact O-CG2 3.42Å; K12-T16 PolarHBondContact O-N 3.13Å; K12-T16 PolarHBondContact O-OG1 3.37Å |
| 13 | E | 59 | Low | 60 | Low | 107 Ų | 107 | 105.6 Ų | 105.6 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.4 | -48.5 | 170.4 | -80.8 | 95.9 | -118.5 | 0 | 0 | 110.7 | S9 F10 Q15 T16 M17 | S9-E13 VanDerWaalsContact C-CD 3.45Å; S9-E13 WeakPolarHBondContact CB-OE2 3.26Å; S9-E13 PolarHBondContact O-N 2.94Å; S9-E13 VanDerWaalsContact O-OE2 3.06Å; F10-E13 PolarHBondContact N-OE2 3.5Å; E13-Q15 PolarHBondContact O-N 3.18Å; E13-T16 PolarHBondContact O-N 2.94Å; E13-T16 VanDerWaalsContact O-N 3.14Å; E13-T16 PolarHBondContact O-OG1 2.91Å; E13-M17 PolarHBondContact O-N 2.98Å |
| 14 | Q | 60.3 | Low | 62.3 | Low | 97 Ų | 97 | 102.5 Ų | 102.5 | 45% | 0.453 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.4 | -50.5 | 175.2 | -172.1 | 63.4 | 50.7 | 0 | 0 | 111.7 | F10 T16 M17 D18 | F10-Q14 WeakPolarHBondContact O-CB 3.21Å; F10-Q14 PolarHBondContact O-N 3.33Å; Q14-T16 PolarHBondContact O-N 3.45Å; Q14-M17 WeakPolarHBondContact O-CA 3.39Å; Q14-M17 WeakPolarHBondContact O-CB 3.47Å; Q14-M17 PolarHBondContact O-N 3.18Å; Q14-D18 PolarHBondContact NE2-OD1 3.08Å; Q14-D18 PolarHBondContact O-N 3.2Å |
| 15 | Q | 65.4 | Low | 64.8 | Low | 106 Ų | 106 | 99.8 Ų | 99.8 | 50% | 0.495 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.3 | -33.8 | 176.5 | -77.2 | 167.1 | 7.7 | 0 | 0 | 112.8 | S11 K12 E13 N19 | S11-Q15 WeakPolarHBondContact O-CB 3.37Å; S11-Q15 WeakPolarHBondContact O-CG 3.31Å; S11-Q15 PolarHBondContact O-N 2.93Å; K12-Q15 PolarHBondContact O-N 2.89Å; E13-Q15 PolarHBondContact O-N 3.18Å; Q15-N19 WeakPolarHBondContact O-CB 3.44Å; Q15-N19 PolarHBondContact O-N 3.25Å; Q15-N19 VanDerWaalsContact O-N 3.12Å; Q15-N19 PolarHBondContact O-ND2 3.18Å |
| 16 | T | 71.5 | Confident | 67 | Low | 74 Ų | 74 | 92.8 Ų | 92.8 | 45% | 0.454 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -70.2 | -36.1 | 173.6 | 53.3 | 0 | 0 | 0 | 0 | 113 | K12 E13 Q14 L20 | K12-T16 WeakPolarHBondContact O-CG2 3.42Å; K12-T16 PolarHBondContact O-N 3.13Å; K12-T16 PolarHBondContact O-OG1 3.37Å; E13-T16 PolarHBondContact O-N 2.94Å; E13-T16 VanDerWaalsContact O-N 3.14Å; E13-T16 PolarHBondContact O-OG1 2.91Å; Q14-T16 PolarHBondContact O-N 3.45Å; T16-L20 VanDerWaalsContact O-CG 3.31Å; T16-L20 WeakPolarHBondContact O-CG 3.43Å; T16-L20 PolarHBondContact O-N 3.45Å |
| 17 | M | 70.4 | Confident | 69 | Low | 56 Ų | 56 | 90.2 Ų | 90.2 | 28% | 0.276 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.1 | -44.1 | 174.1 | -66.9 | -65 | -74.8 | 0 | 0 | 111.7 | E13 Q14 N19 L20 E21 Y108 | E13-M17 PolarHBondContact O-N 2.98Å; Q14-M17 WeakPolarHBondContact O-CA 3.39Å; Q14-M17 WeakPolarHBondContact O-CB 3.47Å; Q14-M17 PolarHBondContact O-N 3.18Å; M17-N19 VanDerWaalsContact C-N 3.29Å; M17-N19 PolarHBondContact O-N 2.93Å; M17-L20 PolarHBondContact O-N 3.05Å; M17-L20 VanDerWaalsContact O-N 3.16Å; M17-L20 HydrophobicContact SD-CD1 4.48Å; M17-E21 PolarHBondContact O-N 2.9Å; M17-Y108 HydrophobicContact CE-CD2 3.8Å; M17-Y108 HydrophobicContact CE-CE2 3.71Å |
| 18 | D | 73.6 | Confident | 71.1 | Confident | 52 Ų | 52 | 84.5 Ų | 84.5 | 28% | 0.278 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.4 | -34.1 | 177.9 | -53.4 | -21 | 0 | 0 | 0 | 112.2 | Q14 K22 | Q14-D18 PolarHBondContact NE2-OD1 3.08Å; Q14-D18 PolarHBondContact O-N 3.2Å; D18-K22 WeakPolarHBondContact O-CD 3.26Å; D18-K22 WeakPolarHBondContact O-CG 3.37Å; D18-K22 PolarHBondContact O-N 3.07Å |
| 19 | N | 78.5 | Confident | 73.4 | Confident | 88 Ų | 88 | 77.6 Ų | 77.6 | 47% | 0.471 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -75.3 | -33.5 | 175.4 | -82.8 | -67.5 | 0 | 0 | 0 | 112.4 | Q15 M17 Q23 | Q15-N19 WeakPolarHBondContact O-CB 3.44Å; Q15-N19 PolarHBondContact O-N 3.25Å; Q15-N19 VanDerWaalsContact O-N 3.12Å; Q15-N19 PolarHBondContact O-ND2 3.18Å; M17-N19 VanDerWaalsContact C-N 3.29Å; M17-N19 PolarHBondContact O-N 2.93Å; N19-Q23 WeakPolarHBondContact O-CG 3.4Å |
| 20 | L | 81.1 | Confident | 75.3 | Confident | 81 Ų | 81 | 82 Ų | 82 | 42% | 0.424 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 171.7 | -74.2 | 168.1 | 0 | 0 | 0 | 111.2 | T16 M17 K22 Q23 L24 | T16-L20 VanDerWaalsContact O-CG 3.31Å; T16-L20 WeakPolarHBondContact O-CG 3.43Å; T16-L20 PolarHBondContact O-N 3.45Å; M17-L20 PolarHBondContact O-N 3.05Å; M17-L20 VanDerWaalsContact O-N 3.16Å; M17-L20 HydrophobicContact SD-CD1 4.48Å; L20-K22 VanDerWaalsContact C-N 3.34Å; L20-K22 PolarHBondContact O-N 2.65Å; L20-Q23 WeakPolarHBondContact O-CB 3.26Å; L20-Q23 PolarHBondContact O-N 2.94Å; L20-L24 WeakPolarHBondContact O-CG 3.33Å; L20-L24 PolarHBondContact O-N 3.07Å |
| 21 | E | 82.9 | Confident | 77.5 | Confident | 69 Ų | 69 | 81.7 Ų | 81.7 | 32% | 0.322 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -56.2 | -47 | 177.5 | -175.9 | 166.3 | -130.9 | 0 | 0 | 112 | M17 Q23 L24 I25 M32 Y108 | M17-E21 PolarHBondContact O-N 2.9Å; E21-Q23 PolarHBondContact O-N 3.36Å; E21-L24 PolarHBondContact O-N 3.04Å; E21-I25 PolarHBondContact O-N 2.67Å; E21-M32 HydrophobicContact CG-CE 4.13Å; E21-M32 WeakPolarHBondContact OE1-CE 3.38Å; E21-Y108 HydrophobicContact CB-CE2 4.22Å; E21-Y108 VanDerWaalsContact CD-OH 3.27Å; E21-Y108 PolarHBondContact OE1-OH 3.43Å |
| 22 | K | 81.9 | Confident | 79 | Confident | 143 Ų | 143 | 81.6 Ų | 81.6 | 62% | 0.622 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -58 | -29.8 | 176.9 | -70.5 | 166.3 | -171.1 | 170.8 | 0 | 113.5 | D18 L20 L24 | D18-K22 WeakPolarHBondContact O-CD 3.26Å; D18-K22 WeakPolarHBondContact O-CG 3.37Å; D18-K22 PolarHBondContact O-N 3.07Å; L20-K22 VanDerWaalsContact C-N 3.34Å; L20-K22 PolarHBondContact O-N 2.65Å; K22-L24 VanDerWaalsContact C-N 3.32Å |
| 23 | Q | 82.4 | Confident | 80.6 | Confident | 143 Ų | 143 | 75.9 Ų | 75.9 | 67% | 0.668 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -80.2 | -12.7 | 176.9 | -66 | 176.5 | 14.8 | 0 | 0 | 113.4 | N19 L20 E21 | N19-Q23 WeakPolarHBondContact O-CG 3.4Å; L20-Q23 WeakPolarHBondContact O-CB 3.26Å; L20-Q23 PolarHBondContact O-N 2.94Å; E21-Q23 PolarHBondContact O-N 3.36Å |
| 24 | L | 87.7 | Confident | 81.9 | Confident | 13 Ų | 13 | 74.5 Ų | 74.5 | 7% | 0.068 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 2.9 | -178.8 | -59.8 | 176 | 0 | 0 | 0 | 113.5 | L20 E21 K22 M32 F33 V101 I104 I105 Y108 | L20-L24 WeakPolarHBondContact O-CG 3.33Å; L20-L24 PolarHBondContact O-N 3.07Å; E21-L24 PolarHBondContact O-N 3.04Å; K22-L24 VanDerWaalsContact C-N 3.32Å; L24-M32 CarbonylContact O-C 3.53Å; L24-M32 VanDerWaalsContact O-CA 3.3Å; L24-M32 WeakPolarHBondContact O-CA 3.49Å; L24-F33 VanDerWaalsContact C-CD2 3.49Å; L24-F33 WeakPolarHBondContact O-CD2 3.43Å; L24-F33 PolarHBondContact O-N 3.34Å; L24-V101 HydrophobicContact CD2-CG1 4.37Å; L24-I104 HydrophobicContact CD1-CG2 3.9Å; L24-I104 HydrophobicContact CD2-CB 4.44Å; L24-I104 HydrophobicContact CD2-CG2 3.86Å; L24-I104 HydrophobicContact CG-CG2 4.49Å; L24-I105 HydrophobicContact CB-CD1 4.28Å; L24-I105 HydrophobicContact CB-CG1 3.98Å; L24-I105 HydrophobicContact CD1-CG1 3.96Å; L24-I105 HydrophobicContact CD2-CG1 3.97Å; L24-I105 HydrophobicContact CG-CG1 4.17Å; L24-Y108 HydrophobicContact CD1-CG 4.5Å |
| 25 | I | 89.1 | Confident | 83.2 | Confident | 59 Ų | 59 | 75.4 Ų | 75.4 | 30% | 0.303 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -88.6 | 138 | 178.9 | -69.8 | 170.2 | 0 | 0 | 0 | 111.5 | E21 L30 F33 | E21-I25 PolarHBondContact O-N 2.67Å; I25-L30 WeakPolarHBondContact CG2-O 3.17Å; I25-F33 WeakPolarHBondContact O-CE2 3.5Å; I25-F33 VanDerWaalsContact O-CZ 3.28Å; I25-F33 WeakPolarHBondContact O-CZ 3.38Å |
| 26 | C | 90.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | trans | -81.2 | 126.2 | 175.9 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | I28 L30 E31 F33 C47 | C26-I28 PolarHBondContact O-N 3.5Å; C26-L30 WeakPolarHBondContact O-CA 3.37Å; C26-L30 PolarHBondContact O-N 2.89Å; C26-E31 PolarHBondContact N-O 3.08Å; C26-F33 VanDerWaalsContact CA-CE1 3.45Å; C26-F33 HydrophobicContact CB-CD1 3.59Å; C26-F33 HydrophobicContact CB-CE1 3.65Å; C26-F33 HydrophobicContact CB-CG 4.36Å; C26-F33 HydrophobicContact CB-CZ 4.46Å; C26-C47 VanDerWaalsContact CB-SG 3.52Å; C26-C47 PolarHBondContact SG-N 2.89Å; C26-C47 VanDerWaalsContact SG-N 3.39Å; C26-C47 VanDerWaalsContact SG-SG 3.61Å | ||
| 27 | P | 87.5 | Confident | 85.2 | Confident | 64 Ų | 64 | 66.8 Ų | 66.8 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 23.1 | -174.9 | 32.5 | -38.7 | 0 | 0 | 0 | 114.7 | L46 | P27-L46 HydrophobicContact CG-CD2 4.01Š|
| 28 | I | 87.9 | Confident | 86 | Confident | 75 Ų | 75 | 65.2 Ų | 65.2 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.6 | -47.7 | -177.3 | -56.7 | -66.9 | 0 | 0 | 0 | 111.9 | C26 L46 C50 I54 P79 | C26-I28 PolarHBondContact O-N 3.5Å; I28-L46 HydrophobicContact CG1-CD2 3.79Å; I28-C50 HydrophobicContact CB-CB 3.87Å; I28-C50 HydrophobicContact CG1-CB 4.33Å; I28-C50 HydrophobicContact CG2-CB 3.72Å; I28-I54 HydrophobicContact CD1-CD1 4.05Å; I28-I54 HydrophobicContact CG1-CD1 4.09Å; I28-P79 HydrophobicContact CD1-CB 3.68Å; I28-P79 HydrophobicContact CD1-CG 3.67Å; I28-P79 HydrophobicContact CG1-CG 4.33Å |
| 29 | C | 88.6 | Confident | 86.5 | Confident | 45 Ų | 45 | 62.7 Ų | 62.7 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -8.8 | 172.7 | 59.2 | 0 | 0 | 0 | 0 | 113.6 | E31 | C29-E31 PolarHBondContact O-N 3.14Š|
| 30 | L | 87.8 | Confident | 86.4 | Confident | 133 Ų | 133 | 63.1 Ų | 63.1 | 70% | 0.696 | 32% | 0.32 | S | S | * | . | trans | 59.1 | 9.8 | -177 | -50.7 | -179.9 | 0 | 0 | 0 | 114.9 | I25 C26 | I25-L30 WeakPolarHBondContact CG2-O 3.17Å; C26-L30 WeakPolarHBondContact O-CA 3.37Å; C26-L30 PolarHBondContact O-N 2.89Å | ||
| 31 | E | 89.5 | Confident | 86.3 | Confident | 122 Ų | 122 | 62.7 Ų | 62.7 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -93 | 162.7 | 169.9 | -60.2 | 172.5 | 159.5 | 0 | 0 | 111.3 | C26 C29 | C26-E31 PolarHBondContact N-O 3.08Å; C29-E31 PolarHBondContact O-N 3.14Å |
| 32 | M | 88.1 | Confident | 86.6 | Confident | 47 Ų | 47 | 60.6 Ų | 60.6 | 23% | 0.232 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -54.5 | 141.1 | 168.6 | -65.9 | 176.4 | -178.3 | 0 | 0 | 112 | E21 L24 T34 Y108 | E21-M32 HydrophobicContact CG-CE 4.13Å; E21-M32 WeakPolarHBondContact OE1-CE 3.38Å; L24-M32 CarbonylContact O-C 3.53Å; L24-M32 VanDerWaalsContact O-CA 3.3Å; L24-M32 WeakPolarHBondContact O-CA 3.49Å; M32-T34 PolarHBondContact O-N 3.35Å; M32-Y108 HydrophobicContact CE-CD1 4.03Å; M32-Y108 HydrophobicContact CE-CE1 3.59Å |
| 33 | F | 88.4 | Confident | 86.8 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 9% | 0.088 | 32% | 0.319 | C | S | . | . | trans | -55.5 | 111 | -174.3 | -70.4 | -74.2 | 0 | 0 | 0 | 113.5 | L24 I25 C26 P36 N45 V101 I105 | L24-F33 VanDerWaalsContact C-CD2 3.49Å; L24-F33 WeakPolarHBondContact O-CD2 3.43Å; L24-F33 PolarHBondContact O-N 3.34Å; I25-F33 WeakPolarHBondContact O-CE2 3.5Å; I25-F33 VanDerWaalsContact O-CZ 3.28Å; I25-F33 WeakPolarHBondContact O-CZ 3.38Å; C26-F33 VanDerWaalsContact CA-CE1 3.45Å; C26-F33 HydrophobicContact CB-CD1 3.59Å; C26-F33 HydrophobicContact CB-CE1 3.65Å; C26-F33 HydrophobicContact CB-CG 4.36Å; C26-F33 HydrophobicContact CB-CZ 4.46Å; F33-P36 HydrophobicContact CB-CB 3.97Å; F33-P36 HydrophobicContact CB-CG 4.26Å; F33-P36 HydrophobicContact CD1-CB 4.39Å; F33-P36 HydrophobicContact CG-CB 4.27Å; F33-N45 HydrophobicContact CE1-CB 3.94Å; F33-N45 VanDerWaalsContact CE1-O 3.28Å; F33-N45 WeakPolarHBondContact CE1-O 3.5Å; F33-N45 HydrophobicContact CE2-CB 4.45Å; F33-N45 HydrophobicContact CZ-CB 3.92Å; F33-V101 HydrophobicContact CB-CG1 4.27Å; F33-V101 HydrophobicContact CD2-CG1 3.79Å; F33-V101 HydrophobicContact CG-CG1 4.3Å; F33-I105 HydrophobicContact CB-CD1 3.65Å; F33-I105 HydrophobicContact CD2-CD1 4.44Å; F33-I105 WeakPolarHBondContact O-CD1 3.47Å | ||
| 34 | T | 87.2 | Confident | 87.2 | Confident | 77 Ų | 77 | 57.7 Ų | 57.7 | 47% | 0.472 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -93.6 | 109.2 | 172.6 | -66.4 | 0 | 0 | 0 | 0 | 110.1 | M32 C47 | M32-T34 PolarHBondContact O-N 3.35Å; T34-C47 PolarHBondContact N-SG 3.05Å |
| 35 | K | 86.9 | Confident | 87.3 | Confident | 116 Ų | 116 | 58.7 Ų | 58.7 | 50% | 0.504 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 53.6 | 64.9 | -175.8 | -69.6 | 164 | -177.5 | 171.2 | 0 | 111.1 | R48 E102 | K35-R48 WeakPolarHBondContact O-CB 3.26Å; K35-R48 PolarHBondContact O-N 3.22Å; K35-E102 WeakPolarHBondContact CA-OE1 3.39Å; K35-E102 VanDerWaalsContact CG-OE1 3.24Å; K35-E102 WeakPolarHBondContact CG-OE1 3.35Å |
| 36 | P | 89.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 139.8 | -177.8 | 23.2 | -33.4 | 0 | 0 | 0 | 111.9 | F33 L46 R97 N98 V101 E102 | F33-P36 HydrophobicContact CB-CB 3.97Å; F33-P36 HydrophobicContact CB-CG 4.26Å; F33-P36 HydrophobicContact CD1-CB 4.39Å; F33-P36 HydrophobicContact CG-CB 4.27Å; P36-L46 CarbonylContact C-O 3.59Å; P36-L46 WeakPolarHBondContact CA-O 3.25Å; P36-R97 CarbonylContact O-C 3.59Å; P36-R97 VanDerWaalsContact O-CA 3.25Å; P36-R97 WeakPolarHBondContact O-CA 3.29Å; P36-N98 HydrophobicContact CB-CB 4.16Å; P36-N98 HydrophobicContact CG-CB 4.2Å; P36-N98 WeakPolarHBondContact CG-O 3.23Å; P36-N98 PolarHBondContact O-N 3.44Å; P36-V101 HydrophobicContact CB-CB 4.41Å; P36-V101 HydrophobicContact CB-CG1 4.24Å; P36-V101 HydrophobicContact CG-CB 3.97Å; P36-V101 HydrophobicContact CG-CG1 3.97Å; P36-E102 HydrophobicContact CG-CB 4.17Å |
| 37 | V | 89.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 139.7 | 171.1 | -69.6 | 0 | 0 | 0 | 0 | 111 | N45 L46 R48 A51 L95 Q96 R97 | V37-N45 WeakPolarHBondContact O-CA 3.43Å; V37-L46 WeakPolarHBondContact CG2-O 3.46Å; V37-L46 PolarHBondContact N-O 3.33Å; V37-L46 PolarHBondContact O-N 2.91Å; V37-L46 VanDerWaalsContact O-N 3.11Å; V37-R48 HydrophobicContact CG1-CB 3.99Å; V37-R48 HydrophobicContact CG1-CG 4.01Å; V37-A51 HydrophobicContact CG2-CB 3.99Å; V37-L95 HydrophobicContact CB-CB 3.92Å; V37-L95 HydrophobicContact CG1-CB 4.32Å; V37-L95 HydrophobicContact CG2-CB 4.33Å; V37-L95 HydrophobicContact CG2-CD1 4.09Å; V37-Q96 CarbonylContact C-O 3.55Å; V37-Q96 VanDerWaalsContact CA-O 3.23Å; V37-Q96 WeakPolarHBondContact CA-O 3.35Å; V37-R97 HydrophobicContact CG1-CG 4.33Å |
| 38 | V | 87.8 | Confident | 87.6 | Confident | 22 Ų | 22 | 55.4 Ų | 55.4 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.9 | -179.7 | -171.1 | 0 | 0 | 0 | 0 | 110.2 | L40 Q96 N98 | V38-L40 PolarHBondContact O-N 3.37Å; V38-Q96 PolarHBondContact N-O 3.26Å; V38-N98 HydrophobicContact CG2-CB 3.64Å |
| 39 | I | 84.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -85.2 | 94.2 | 169.1 | -61.7 | 175.1 | 0 | 0 | 0 | 108.3 | P41 C42 Q43 H44 L46 F76 C78 V85 | I39-P41 VanDerWaalsContact C-CD 3.44Å; I39-P41 HydrophobicContact CG2-CG 4.09Å; I39-C42 WeakPolarHBondContact CG2-SG 3.47Å; I39-C42 CarbonylContact O-C 3.53Å; I39-C42 PolarHBondContact O-N 3.18Å; I39-Q43 WeakPolarHBondContact O-CA 3.39Å; I39-Q43 PolarHBondContact O-N 2.95Å; I39-H44 PolarHBondContact N-O 2.72Å; I39-L46 HydrophobicContact CD1-CD1 3.87Å; I39-L46 HydrophobicContact CD1-CG 4.23Å; I39-F76 HydrophobicContact CD1-CE2 4.02Å; I39-F76 HydrophobicContact CD1-CZ 4.05Å; I39-F76 HydrophobicContact CG1-CZ 4.26Å; I39-C78 HydrophobicContact CD1-CB 4.05Å; I39-V85 HydrophobicContact CG2-CB 4.33Å; I39-V85 HydrophobicContact CG2-CG1 3.99Å; I39-V85 HydrophobicContact CG2-CG2 3.34Å | ||
| 40 | L | 76.2 | Confident | 87.7 | Confident | 97 Ų | 97 | 57.5 Ų | 57.5 | 51% | 0.508 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -36.4 | -169.4 | -77.1 | 163.3 | 0 | 0 | 0 | 117.5 | V38 C42 Q96 | V38-L40 PolarHBondContact O-N 3.37Å; L40-C42 VanDerWaalsContact C-N 3.29Å; L40-C42 PolarHBondContact O-N 2.65Å; L40-Q96 HydrophobicContact CD1-CG 4.26Å |
| 41 | P | 79.6 | Confident | 87.7 | Confident | 71 Ų | 71 | 51.1 Ų | 51.1 | 46% | 0.461 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -13.5 | 177.3 | 29.4 | -37 | 0 | 0 | 0 | 114.6 | I39 V85 | I39-P41 VanDerWaalsContact C-CD 3.44Å; I39-P41 HydrophobicContact CG2-CG 4.09Å; P41-V85 HydrophobicContact CG-CG1 4.37Å; P41-V85 HydrophobicContact CG-CG2 4.33Å |
| 42 | C | 87.3 | Confident | 87.5 | Confident | 26 Ų | 26 | 46.1 Ų | 46.1 | 18% | 0.176 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.8 | 4.5 | -178.6 | 72.7 | 0 | 0 | 0 | 0 | 114.9 | I39 L40 H44 C81 H83 | I39-C42 WeakPolarHBondContact CG2-SG 3.47Å; I39-C42 CarbonylContact O-C 3.53Å; I39-C42 PolarHBondContact O-N 3.18Å; L40-C42 VanDerWaalsContact C-N 3.29Å; L40-C42 PolarHBondContact O-N 2.65Å; C42-H44 PolarHBondContact O-N 3.14Å; C42-H44 PolarHBondContact O-ND1 2.77Å; C42-C81 VanDerWaalsContact CB-SG 3.57Å; C42-H83 HydrophobicContact CB-CB 4.16Å |
| 43 | Q | 87.3 | Confident | 87.4 | Confident | 153 Ų | 153 | 48 Ų | 48 | 72% | 0.715 | 24% | 0.243 | S | C | * | . | trans | 56.8 | 7 | 176.3 | -53.8 | -174.6 | 19.3 | 0 | 0 | 117.2 | I39 | I39-Q43 WeakPolarHBondContact O-CA 3.39Å; I39-Q43 PolarHBondContact O-N 2.95Å | ||
| 44 | H | 90.2 | Very high | 87.2 | Confident | 71 Ų | 71 | 48.8 Ų | 48.8 | 33% | 0.329 | 25% | 0.247 | S | C | . | . | trans | -72.1 | 149.5 | 177.6 | -73.9 | 76.3 | 0 | 0 | 0 | 112 | I39 C42 S80 | I39-H44 PolarHBondContact N-O 2.72Å; C42-H44 PolarHBondContact O-N 3.14Å; C42-H44 PolarHBondContact O-ND1 2.77Å; H44-S80 WeakPolarHBondContact CD2-CB 3.46Å | ||
| 45 | N | 90.4 | Very high | 87 | Confident | 34 Ų | 34 | 47.3 Ų | 47.3 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 141.2 | -178.2 | -63.9 | -80.4 | 0 | 0 | 0 | 111.1 | F33 V37 N98 | F33-N45 HydrophobicContact CE1-CB 3.94Å; F33-N45 VanDerWaalsContact CE1-O 3.28Å; F33-N45 WeakPolarHBondContact CE1-O 3.5Å; F33-N45 HydrophobicContact CE2-CB 4.45Å; F33-N45 HydrophobicContact CZ-CB 3.92Å; V37-N45 WeakPolarHBondContact O-CA 3.43Å; N45-N98 WeakPolarHBondContact OD1-CB 3.42Å; N45-N98 PolarHBondContact OD1-ND2 3.36Å |
| 46 | L | 90.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 154.6 | 170.6 | -68.3 | -179.3 | 0 | 0 | 0 | 110.3 | P27 I28 P36 V37 I39 A51 I54 P79 | P27-L46 HydrophobicContact CG-CD2 4.01Å; I28-L46 HydrophobicContact CG1-CD2 3.79Å; P36-L46 CarbonylContact C-O 3.59Å; P36-L46 WeakPolarHBondContact CA-O 3.25Å; V37-L46 WeakPolarHBondContact CG2-O 3.46Å; V37-L46 PolarHBondContact N-O 3.33Å; V37-L46 PolarHBondContact O-N 2.91Å; V37-L46 VanDerWaalsContact O-N 3.11Å; I39-L46 HydrophobicContact CD1-CD1 3.87Å; I39-L46 HydrophobicContact CD1-CG 4.23Å; L46-A51 HydrophobicContact CB-CB 4.3Å; L46-A51 HydrophobicContact CD1-CB 4.21Å; L46-I54 HydrophobicContact CD1-CD1 3.91Å; L46-P79 HydrophobicContact CD1-CG 4.25Å |
| 47 | C | 92.6 | Very high | 86.2 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.027 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 138 | 163.4 | -68.8 | 0 | 0 | 0 | 0 | 110.4 | C26 T34 K49 C50 A51 | C26-C47 VanDerWaalsContact CB-SG 3.52Å; C26-C47 PolarHBondContact SG-N 2.89Å; C26-C47 VanDerWaalsContact SG-N 3.39Å; C26-C47 VanDerWaalsContact SG-SG 3.61Å; T34-C47 PolarHBondContact N-SG 3.05Å; C47-K49 PolarHBondContact O-N 3.25Å; C47-K49 VanDerWaalsContact O-N 3.11Å; C47-C50 HydrophobicContact CB-CB 4.23Å; C47-C50 PolarHBondContact O-N 2.76Å; C47-C50 VanDerWaalsContact O-N 3.11Å; C47-A51 PolarHBondContact O-N 3.21Å |
| 48 | R | 89.4 | Confident | 85.5 | Confident | 50 Ų | 50 | 53.1 Ų | 53.1 | 19% | 0.189 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.7 | -24.7 | -179.8 | -168.3 | 174.2 | -178.9 | 107.5 | -6 | 114.1 | K35 V37 S52 Y93 L95 | K35-R48 WeakPolarHBondContact O-CB 3.26Å; K35-R48 PolarHBondContact O-N 3.22Å; V37-R48 HydrophobicContact CG1-CB 3.99Å; V37-R48 HydrophobicContact CG1-CG 4.01Å; R48-S52 PolarHBondContact O-N 3.2Å; R48-Y93 PolarHBondContact NH2-O 3.14Å; R48-L95 PolarHBondContact NH1-O 2.97Å |
| 49 | K | 88.9 | Confident | 84.6 | Confident | 156 Ų | 156 | 53.3 Ų | 53.3 | 68% | 0.678 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65.9 | -65 | 168.5 | -68.5 | -177.5 | -179.5 | 177 | 0 | 110.2 | C47 A51 S52 D53 | C47-K49 PolarHBondContact O-N 3.25Å; C47-K49 VanDerWaalsContact O-N 3.11Å; K49-A51 PolarHBondContact O-N 3.4Å; K49-A51 VanDerWaalsContact O-N 3.07Å; K49-S52 CarbonylContact O-C 3.59Å; K49-S52 VanDerWaalsContact O-CA 3.29Å; K49-S52 WeakPolarHBondContact O-CA 3.43Å; K49-S52 WeakPolarHBondContact O-CB 3.42Å; K49-S52 PolarHBondContact O-N 2.85Å; K49-D53 PolarHBondContact O-N 3.01Å |
| 50 | C | 90.4 | Very high | 83.5 | Confident | 8 Ų | 8 | 58.1 Ų | 58.1 | 5% | 0.054 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -48.9 | -42.8 | -179.1 | -57.1 | 0 | 0 | 0 | 0 | 113.4 | I28 C47 S52 D53 I54 | I28-C50 HydrophobicContact CB-CB 3.87Å; I28-C50 HydrophobicContact CG1-CB 4.33Å; I28-C50 HydrophobicContact CG2-CB 3.72Å; C47-C50 HydrophobicContact CB-CB 4.23Å; C47-C50 PolarHBondContact O-N 2.76Å; C47-C50 VanDerWaalsContact O-N 3.11Å; C50-S52 VanDerWaalsContact C-N 3.32Å; C50-S52 PolarHBondContact O-N 3.33Å; C50-D53 WeakPolarHBondContact CA-OD2 3.15Å; C50-D53 PolarHBondContact N-OD2 3.18Å; C50-D53 PolarHBondContact O-N 3.22Å; C50-I54 WeakPolarHBondContact O-CB 3.36Å; C50-I54 VanDerWaalsContact O-CD1 3.28Å; C50-I54 WeakPolarHBondContact O-CD1 3.32Å; C50-I54 WeakPolarHBondContact O-CG1 3.35Å; C50-I54 PolarHBondContact O-N 3.36Å |
| 51 | A | 87.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62 | -36 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V37 L46 C47 K49 F55 V92 L95 | V37-A51 HydrophobicContact CG2-CB 3.99Å; L46-A51 HydrophobicContact CB-CB 4.3Å; L46-A51 HydrophobicContact CD1-CB 4.21Å; C47-A51 PolarHBondContact O-N 3.21Å; K49-A51 PolarHBondContact O-N 3.4Å; K49-A51 VanDerWaalsContact O-N 3.07Å; A51-F55 VanDerWaalsContact O-CB 3.31Å; A51-F55 WeakPolarHBondContact O-CB 3.48Å; A51-F55 PolarHBondContact O-N 2.99Å; A51-V92 HydrophobicContact CB-CG1 3.78Å; A51-V92 WeakPolarHBondContact O-CG2 3.47Å; A51-L95 HydrophobicContact CB-CD1 4.38Å |
| 52 | S | 86 | Confident | 81.6 | Confident | 17 Ų | 17 | 65.9 Ų | 65.9 | 12% | 0.119 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.2 | -41.7 | 173.5 | 168.4 | 0 | 0 | 0 | 0 | 111.5 | R48 K49 C50 F55 Q56 | R48-S52 PolarHBondContact O-N 3.2Å; K49-S52 CarbonylContact O-C 3.59Å; K49-S52 VanDerWaalsContact O-CA 3.29Å; K49-S52 WeakPolarHBondContact O-CA 3.43Å; K49-S52 WeakPolarHBondContact O-CB 3.42Å; K49-S52 PolarHBondContact O-N 2.85Å; C50-S52 VanDerWaalsContact C-N 3.32Å; C50-S52 PolarHBondContact O-N 3.33Å; S52-F55 PolarHBondContact O-N 3.19Å; S52-Q56 VanDerWaalsContact O-CG 3.31Å; S52-Q56 WeakPolarHBondContact O-CG 3.46Å; S52-Q56 PolarHBondContact O-N 2.99Å; S52-Q56 PolarHBondContact OG-NE2 2.81Å |
| 53 | D | 86.2 | Confident | 79.9 | Confident | 87 Ų | 87 | 70 Ų | 70 | 47% | 0.465 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.1 | -43.4 | -176.4 | -48.7 | -35.6 | 0 | 0 | 0 | 110.6 | K49 C50 F55 Q56 A57 | K49-D53 PolarHBondContact O-N 3.01Å; C50-D53 WeakPolarHBondContact CA-OD2 3.15Å; C50-D53 PolarHBondContact N-OD2 3.18Å; C50-D53 PolarHBondContact O-N 3.22Å; D53-F55 PolarHBondContact O-N 2.61Å; D53-Q56 PolarHBondContact O-N 3.48Å; D53-A57 WeakPolarHBondContact O-CB 3.38Å; D53-A57 PolarHBondContact O-N 2.9Å |
| 54 | I | 84.4 | Confident | 78.4 | Confident | 35 Ų | 35 | 69.5 Ų | 69.5 | 18% | 0.179 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 172 | -66.4 | 157.4 | 0 | 0 | 0 | 111.2 | I28 L46 C50 Q56 A57 S58 F76 P79 | I28-I54 HydrophobicContact CD1-CD1 4.05Å; I28-I54 HydrophobicContact CG1-CD1 4.09Å; L46-I54 HydrophobicContact CD1-CD1 3.91Å; C50-I54 WeakPolarHBondContact O-CB 3.36Å; C50-I54 VanDerWaalsContact O-CD1 3.28Å; C50-I54 WeakPolarHBondContact O-CD1 3.32Å; C50-I54 WeakPolarHBondContact O-CG1 3.35Å; C50-I54 PolarHBondContact O-N 3.36Å; I54-Q56 VanDerWaalsContact C-N 3.34Å; I54-Q56 PolarHBondContact O-N 3.48Å; I54-A57 PolarHBondContact O-N 3.2Å; I54-S58 WeakPolarHBondContact O-CB 3.26Å; I54-S58 PolarHBondContact O-N 3.24Å; I54-S58 PolarHBondContact O-OG 2.92Å; I54-F76 HydrophobicContact CG2-CB 4.36Å; I54-F76 HydrophobicContact CG2-CD2 3.8Å; I54-F76 HydrophobicContact CG2-CG 4.48Å; I54-P79 HydrophobicContact CD1-CG 3.49Å; I54-P79 VanDerWaalsContact CD1-CG 3.49Å |
| 55 | F | 82.9 | Confident | 76.3 | Confident | 46 Ų | 46 | 77.1 Ų | 77.1 | 20% | 0.202 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65 | -36.2 | -178.7 | 174.2 | -99.2 | 0 | 0 | 0 | 113.1 | A51 S52 D53 S58 N59 F76 L87 V92 | A51-F55 VanDerWaalsContact O-CB 3.31Å; A51-F55 WeakPolarHBondContact O-CB 3.48Å; A51-F55 PolarHBondContact O-N 2.99Å; S52-F55 PolarHBondContact O-N 3.19Å; D53-F55 PolarHBondContact O-N 2.61Å; F55-S58 PolarHBondContact O-OG 2.84Å; F55-N59 PolarHBondContact O-N 3.37Å; F55-N59 PolarHBondContact O-ND2 2.91Å; F55-F76 HydrophobicContact CD2-CD1 4.36Å; F55-L87 HydrophobicContact CD2-CD1 3.41Å; F55-L87 VanDerWaalsContact CD2-CD1 3.41Å; F55-L87 HydrophobicContact CE2-CD1 3.52Å; F55-L87 HydrophobicContact CG-CD1 4.24Å; F55-L87 HydrophobicContact CZ-CD1 4.44Å; F55-V92 HydrophobicContact CB-CG2 3.47Å; F55-V92 VanDerWaalsContact CB-CG2 3.47Å; F55-V92 HydrophobicContact CD1-CG2 4.06Å; F55-V92 HydrophobicContact CD2-CG2 4.15Å; F55-V92 HydrophobicContact CG-CG2 3.64Å |
| 56 | Q | 81 | Confident | 74.3 | Confident | 110 Ų | 110 | 79.9 Ų | 79.9 | 51% | 0.514 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69.5 | -47.1 | 174 | -71.2 | 174.3 | 43.4 | 0 | 0 | 110.8 | S52 D53 I54 S58 N59 | S52-Q56 VanDerWaalsContact O-CG 3.31Å; S52-Q56 WeakPolarHBondContact O-CG 3.46Å; S52-Q56 PolarHBondContact O-N 2.99Å; S52-Q56 PolarHBondContact OG-NE2 2.81Å; D53-Q56 PolarHBondContact O-N 3.48Å; I54-Q56 VanDerWaalsContact C-N 3.34Å; I54-Q56 PolarHBondContact O-N 3.48Å; Q56-S58 VanDerWaalsContact C-N 3.29Å; Q56-S58 PolarHBondContact O-N 2.69Å; Q56-N59 CarbonylContact O-C 3.52Å; Q56-N59 PolarHBondContact O-N 2.92Å; Q56-N59 VanDerWaalsContact O-N 3.11Å |
| 57 | A | 78 | Confident | 71.8 | Confident | 76 Ų | 76 | 83 Ų | 83 | 63% | 0.628 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.6 | -37.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D53 I54 N59 | D53-A57 WeakPolarHBondContact O-CB 3.38Å; D53-A57 PolarHBondContact O-N 2.9Å; I54-A57 PolarHBondContact O-N 3.2Å; A57-N59 VanDerWaalsContact C-N 3.31Å; A57-N59 PolarHBondContact O-N 3.03Å |
| 58 | S | 73.6 | Confident | 69.6 | Low | 53 Ų | 53 | 90.1 Ų | 90.1 | 37% | 0.371 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -6 | 178.2 | 71.6 | 0 | 0 | 0 | 0 | 114.7 | I54 F55 Q56 R75 F76 | I54-S58 WeakPolarHBondContact O-CB 3.26Å; I54-S58 PolarHBondContact O-N 3.24Å; I54-S58 PolarHBondContact O-OG 2.92Å; F55-S58 PolarHBondContact O-OG 2.84Å; Q56-S58 VanDerWaalsContact C-N 3.29Å; Q56-S58 PolarHBondContact O-N 2.69Å; S58-R75 PolarHBondContact OG-O 3.47Å; S58-F76 WeakPolarHBondContact OG-CB 3.38Å |
| 59 | N | 69.2 | Low | 67.2 | Low | 26 Ų | 26 | 94 Ų | 94 | 14% | 0.139 | 54% | 0.537 | C | S | . | . | trans | -138.8 | 61.3 | -179.6 | -61.4 | -88.1 | 0 | 0 | 0 | 113.2 | F55 Q56 A57 Y61 L62 R75 | F55-N59 PolarHBondContact O-N 3.37Å; F55-N59 PolarHBondContact O-ND2 2.91Å; Q56-N59 CarbonylContact O-C 3.52Å; Q56-N59 PolarHBondContact O-N 2.92Å; Q56-N59 VanDerWaalsContact O-N 3.11Å; A57-N59 VanDerWaalsContact C-N 3.31Å; A57-N59 PolarHBondContact O-N 3.03Å; N59-Y61 PolarHBondContact O-N 2.89Å; N59-L62 HydrophobicContact CB-CD1 4.31Å; N59-L62 PolarHBondContact O-N 3.04Å; N59-R75 PolarHBondContact ND2-O 2.76Å | ||
| 60 | P | 61.3 | Low | 65.5 | Low | 100 Ų | 100 | 96.2 Ų | 96.2 | 65% | 0.649 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -20 | -170.1 | -23.9 | 35.5 | 0 | 0 | 0 | 116.1 | ||
| 61 | Y | 57.4 | Low | 63.3 | Low | 220 Ų | 220 | 99.9 Ų | 99.9 | 86% | 0.863 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 6.3 | -172.3 | -60.6 | -75.6 | 0 | 0 | 0 | 114.6 | N59 P63 | N59-Y61 PolarHBondContact O-N 2.89Å; Y61-P63 VanDerWaalsContact O-CD 3.26Å; Y61-P63 WeakPolarHBondContact O-CD 3.34Å |
| 62 | L | 59.2 | Low | 61.7 | Low | 112 Ų | 112 | 105.2 Ų | 105.2 | 59% | 0.586 | 62% | 0.621 | S | S | * | * | trans | -103.6 | 96.8 | 178.1 | -83.3 | 168.5 | 0 | 0 | 0 | 111.1 | N59 T64 | N59-L62 HydrophobicContact CB-CD1 4.31Å; N59-L62 PolarHBondContact O-N 3.04Å; L62-T64 PolarHBondContact O-N 3.49Å | ||
| 63 | P | 52.2 | Low | 60.4 | Low | 112 Ų | 112 | 106.1 Ų | 106.1 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | trans | -70.5 | 125.6 | -178.9 | 28.1 | -34.5 | 0 | 0 | 0 | 111.8 | Y61 R65 | Y61-P63 VanDerWaalsContact O-CD 3.26Å; Y61-P63 WeakPolarHBondContact O-CD 3.34Å; P63-R65 PolarHBondContact O-N 3.45Å | ||
| 64 | T | 54.5 | Low | 59.7 | Low | 142 Ų | 142 | 102.5 Ų | 102.5 | 87% | 0.871 | 62% | 0.616 | S | S | * | * | trans | -75.9 | 51.8 | -179.6 | -45.7 | 0 | 0 | 0 | 0 | 112.7 | L62 | L62-T64 PolarHBondContact O-N 3.49Š| ||
| 65 | R | 45.8 | Very low | 59.5 | Low | 232 Ų | 232 | 108 Ų | 108 | 88% | 0.875 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -131.2 | 120.5 | 175.4 | -154 | 171.5 | -165.9 | 169.8 | 4.7 | 110.1 | P63 G67 | P63-R65 PolarHBondContact O-N 3.45Å; R65-G67 PolarHBondContact O-N 3.19Å |
| 66 | G | 50.3 | Low | 59.6 | Low | 91 Ų | 91 | 106.1 Ų | 106.1 | 94% | 0.938 | 63% | 0.626 | S | S | * | * | trans | -58.4 | 125.4 | -164.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 67 | G | 37.5 | Very low | 59.9 | Low | 67 Ų | 67 | 107.2 Ų | 107.2 | 69% | 0.691 | 63% | 0.626 | S | S | * | * | trans | -150.3 | 144.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | R65 T69 | R65-G67 PolarHBondContact O-N 3.19Å; G67-T69 PolarHBondContact O-N 3.28Å | ||
| 68 | T | 45.5 | Very low | 60.4 | Low | 152 Ų | 152 | 103.6 Ų | 103.6 | 93% | 0.933 | 60% | 0.596 | S | S | * | * | trans | -85.4 | 91.7 | -172.9 | 46.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 69 | T | 39.6 | Very low | 61 | Low | 131 Ų | 131 | 103.5 Ų | 103.5 | 80% | 0.804 | 59% | 0.594 | S | S | * | * | trans | -135 | 127.9 | 165.5 | 50.1 | 0 | 0 | 0 | 0 | 110.4 | G67 A71 | G67-T69 PolarHBondContact O-N 3.28Å; T69-A71 PolarHBondContact O-N 2.95Å | ||
| 70 | M | 52.3 | Low | 61.8 | Low | 204 Ų | 204 | 104.8 Ų | 104.8 | 100% | 1.005 | 61% | 0.605 | S | S | * | * | trans | -85.3 | 104.3 | 173.3 | -74.3 | -168.9 | 175.4 | 0 | 0 | 110.7 | ||||
| 71 | A | 45.7 | Very low | 63.1 | Low | 85 Ų | 85 | 102.6 Ų | 102.6 | 70% | 0.702 | 59% | 0.592 | S | S | * | * | trans | -158.2 | 145.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T69 | T69-A71 PolarHBondContact O-N 2.95Š| ||
| 72 | S | 52.6 | Low | 64.5 | Low | 112 Ų | 112 | 102 Ų | 102 | 78% | 0.783 | 59% | 0.588 | S | S | * | * | trans | 46 | 101.4 | 156.9 | -50.7 | 0 | 0 | 0 | 0 | 118.3 | G74 | S72-G74 PolarHBondContact O-N 2.99Š| ||
| 73 | G | 60 | Low | 65.8 | Low | 36 Ų | 36 | 101.1 Ų | 101.1 | 37% | 0.371 | 58% | 0.581 | S | S | . | * | trans | -57 | 132.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L87 | G73-L87 CarbonylContact C-O 3.6Å; G73-L87 WeakPolarHBondContact CA-O 3.29Å | ||
| 74 | G | 71.1 | Confident | 67.3 | Low | 10 Ų | 10 | 99.4 Ų | 99.4 | 10% | 0.103 | 56% | 0.563 | C | S | . | * | trans | -69.5 | 150.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S72 L87 | S72-G74 PolarHBondContact O-N 2.99Å; G74-L87 WeakPolarHBondContact O-CB 3.42Å; G74-L87 PolarHBondContact O-N 3.12Å | ||
| 75 | R | 80.3 | Confident | 68.6 | Low | 152 Ų | 152 | 92.8 Ų | 92.8 | 57% | 0.574 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 148 | 179.3 | 65.5 | -173.4 | -179.3 | -78.3 | -2 | 111.7 | S58 N59 E84 V85 | S58-R75 PolarHBondContact OG-O 3.47Å; N59-R75 PolarHBondContact ND2-O 2.76Å; R75-E84 WeakPolarHBondContact CD-OE1 3.48Å; R75-V85 WeakPolarHBondContact CA-O 3.38Å |
| 76 | F | 84.8 | Confident | 70.3 | Confident | 5 Ų | 5 | 87 Ų | 87 | 2% | 0.022 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 165.1 | 166 | 77.3 | -76 | 0 | 0 | 0 | 110.5 | I39 I54 F55 S58 V85 L87 L95 | I39-F76 HydrophobicContact CD1-CE2 4.02Å; I39-F76 HydrophobicContact CD1-CZ 4.05Å; I39-F76 HydrophobicContact CG1-CZ 4.26Å; I54-F76 HydrophobicContact CG2-CB 4.36Å; I54-F76 HydrophobicContact CG2-CD2 3.8Å; I54-F76 HydrophobicContact CG2-CG 4.48Å; F55-F76 HydrophobicContact CD2-CD1 4.36Å; S58-F76 WeakPolarHBondContact OG-CB 3.38Å; F76-V85 HydrophobicContact CD1-CB 3.79Å; F76-V85 HydrophobicContact CD1-CG1 4.19Å; F76-V85 HydrophobicContact CE1-CB 3.49Å; F76-V85 VanDerWaalsContact CE1-CB 3.49Å; F76-V85 HydrophobicContact CE1-CG1 3.47Å; F76-V85 VanDerWaalsContact CE1-CG1 3.47Å; F76-V85 HydrophobicContact CE1-CG2 4.09Å; F76-V85 HydrophobicContact CE2-CG2 4.32Å; F76-V85 HydrophobicContact CG-CB 4.44Å; F76-V85 HydrophobicContact CZ-CB 3.91Å; F76-V85 HydrophobicContact CZ-CG1 3.95Å; F76-V85 HydrophobicContact CZ-CG2 3.98Å; F76-V85 PolarHBondContact N-O 2.97Å; F76-V85 PolarHBondContact O-N 3.25Å; F76-L87 HydrophobicContact CD1-CD1 3.65Å; F76-L87 HydrophobicContact CD1-CG 4.16Å; F76-L87 HydrophobicContact CE1-CD1 3.62Å; F76-L87 HydrophobicContact CE1-CD2 4.12Å; F76-L87 HydrophobicContact CE1-CG 3.91Å; F76-L95 HydrophobicContact CZ-CD1 4.39Å |
| 77 | R | 87.6 | Confident | 71.7 | Confident | 133 Ų | 133 | 83.1 Ų | 83.1 | 50% | 0.502 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 135.2 | 174.7 | -62.8 | -80 | 173.2 | -159.3 | -13.2 | 109 | P79 R82 H83 E84 | R77-P79 WeakPolarHBondContact O-CD 3.43Å; R77-R82 WeakPolarHBondContact CD-O 3.3Å; R77-H83 WeakPolarHBondContact CA-O 3.29Å; R77-E84 IonicContact CZ-OE1 2.69Å; R77-E84 IonicContact CZ-OE2 2.66Å; R77-E84 IonicContact NH1-OE2 3.28Å; R77-E84 PolarHBondContact NH1-OE2 3.37Å; R77-E84 IonicContact NH2-OE1 3.84Å; R77-E84 PolarHBondContact NH2-OE1 3.36Å; R77-E84 IonicContact NH2-OE2 3.82Å; R77-E84 PolarHBondContact NH2-OE2 3.46Å |
| 78 | C | 87.4 | Confident | 73.4 | Confident | 0 Ų | 0 | 85.8 Ų | 85.8 | 0% | 0 | 47% | 0.468 | C | S | . | . | trans | -62.9 | 124.8 | 169.8 | 177.7 | 0 | 0 | 0 | 0 | 109.7 | I39 S80 R82 H83 V85 | I39-C78 HydrophobicContact CD1-CB 4.05Å; C78-S80 VanDerWaalsContact C-N 3.32Å; C78-S80 PolarHBondContact O-N 3.39Å; C78-R82 WeakPolarHBondContact O-CA 3.43Å; C78-R82 PolarHBondContact O-N 3.48Å; C78-H83 PolarHBondContact N-O 3.03Å; C78-V85 HydrophobicContact CB-CG2 4.39Å | ||
| 79 | P | 86.6 | Confident | 74.7 | Confident | 51 Ų | 51 | 89 Ų | 89 | 33% | 0.331 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -38.5 | -178.8 | -24.2 | 34.2 | 0 | 0 | 0 | 113.6 | I28 L46 I54 R77 C81 | I28-P79 HydrophobicContact CD1-CB 3.68Å; I28-P79 HydrophobicContact CD1-CG 3.67Å; I28-P79 HydrophobicContact CG1-CG 4.33Å; L46-P79 HydrophobicContact CD1-CG 4.25Å; I54-P79 HydrophobicContact CD1-CG 3.49Å; I54-P79 VanDerWaalsContact CD1-CG 3.49Å; R77-P79 WeakPolarHBondContact O-CD 3.43Å; P79-C81 PolarHBondContact O-N 2.92Å |
| 80 | S | 85.8 | Confident | 76.4 | Confident | 54 Ų | 54 | 87.6 Ų | 87.6 | 38% | 0.378 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -25.2 | -173.1 | -49.3 | 0 | 0 | 0 | 0 | 114.5 | H44 C78 | H44-S80 WeakPolarHBondContact CD2-CB 3.46Å; C78-S80 VanDerWaalsContact C-N 3.32Å; C78-S80 PolarHBondContact O-N 3.39Å |
| 81 | C | 88.9 | Confident | 77.7 | Confident | 54 Ų | 54 | 78.5 Ų | 78.5 | 37% | 0.365 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.2 | 6.1 | -175.1 | 66.7 | 0 | 0 | 0 | 0 | 114.8 | C42 P79 H83 | C42-C81 VanDerWaalsContact CB-SG 3.57Å; P79-C81 PolarHBondContact O-N 2.92Å; C81-H83 PolarHBondContact O-N 3.07Å |
| 82 | R | 87.1 | Confident | 79.3 | Confident | 206 Ų | 206 | 74.7 Ų | 74.7 | 78% | 0.777 | 37% | 0.374 | S | S | * | . | trans | 57.3 | 5.5 | 179.2 | -56 | -178.6 | -178.1 | 179.7 | 0.6 | 116.3 | R77 C78 | R77-R82 WeakPolarHBondContact CD-O 3.3Å; C78-R82 WeakPolarHBondContact O-CA 3.43Å; C78-R82 PolarHBondContact O-N 3.48Å | ||
| 83 | H | 86.9 | Confident | 80.6 | Confident | 95 Ų | 95 | 77.4 Ų | 77.4 | 44% | 0.44 | 37% | 0.369 | S | S | . | . | trans | -59.7 | 147.5 | 177.1 | -163.7 | 87.1 | 0 | 0 | 0 | 112.2 | C42 R77 C78 C81 | C42-H83 HydrophobicContact CB-CB 4.16Å; R77-H83 WeakPolarHBondContact CA-O 3.29Å; C78-H83 PolarHBondContact N-O 3.03Å; C81-H83 PolarHBondContact O-N 3.07Å | ||
| 84 | E | 83.9 | Confident | 81.5 | Confident | 75 Ų | 75 | 77.6 Ų | 77.6 | 35% | 0.35 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 130.2 | -179.7 | -158.5 | 140.1 | -159.1 | 0 | 0 | 111.7 | R75 R77 | R75-E84 WeakPolarHBondContact CD-OE1 3.48Å; R77-E84 IonicContact CZ-OE1 2.69Å; R77-E84 IonicContact CZ-OE2 2.66Å; R77-E84 IonicContact NH1-OE2 3.28Å; R77-E84 PolarHBondContact NH1-OE2 3.37Å; R77-E84 IonicContact NH2-OE1 3.84Å; R77-E84 PolarHBondContact NH2-OE1 3.36Å; R77-E84 IonicContact NH2-OE2 3.82Å; R77-E84 PolarHBondContact NH2-OE2 3.46Å |
| 85 | V | 81.8 | Confident | 82.2 | Confident | 3 Ų | 3 | 77.8 Ų | 77.8 | 2% | 0.018 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 102.8 | 179.2 | -166.5 | 0 | 0 | 0 | 0 | 108.1 | I39 P41 R75 F76 C78 L87 | I39-V85 HydrophobicContact CG2-CB 4.33Å; I39-V85 HydrophobicContact CG2-CG1 3.99Å; I39-V85 HydrophobicContact CG2-CG2 3.34Å; P41-V85 HydrophobicContact CG-CG1 4.37Å; P41-V85 HydrophobicContact CG-CG2 4.33Å; R75-V85 WeakPolarHBondContact CA-O 3.38Å; F76-V85 HydrophobicContact CD1-CB 3.79Å; F76-V85 HydrophobicContact CD1-CG1 4.19Å; F76-V85 HydrophobicContact CE1-CB 3.49Å; F76-V85 VanDerWaalsContact CE1-CB 3.49Å; F76-V85 HydrophobicContact CE1-CG1 3.47Å; F76-V85 VanDerWaalsContact CE1-CG1 3.47Å; F76-V85 HydrophobicContact CE1-CG2 4.09Å; F76-V85 HydrophobicContact CE2-CG2 4.32Å; F76-V85 HydrophobicContact CG-CB 4.44Å; F76-V85 HydrophobicContact CZ-CB 3.91Å; F76-V85 HydrophobicContact CZ-CG1 3.95Å; F76-V85 HydrophobicContact CZ-CG2 3.98Å; F76-V85 PolarHBondContact N-O 2.97Å; F76-V85 PolarHBondContact O-N 3.25Å; C78-V85 HydrophobicContact CB-CG2 4.39Å; V85-L87 HydrophobicContact CG1-CD2 4.35Å; V85-L87 HydrophobicContact CG1-CG 4.47Å |
| 86 | V | 81 | Confident | 82.4 | Confident | 111 Ų | 111 | 76.1 Ų | 76.1 | 67% | 0.673 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 123.9 | 166.3 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | ||
| 87 | L | 78.9 | Confident | 82.6 | Confident | 10 Ų | 10 | 82.3 Ų | 82.3 | 5% | 0.052 | 39% | 0.391 | C | S | . | . | trans | -97.9 | 147.4 | 179.1 | -70.9 | 163 | 0 | 0 | 0 | 111.2 | F55 G73 G74 F76 V85 V92 L95 | F55-L87 HydrophobicContact CD2-CD1 3.41Å; F55-L87 VanDerWaalsContact CD2-CD1 3.41Å; F55-L87 HydrophobicContact CE2-CD1 3.52Å; F55-L87 HydrophobicContact CG-CD1 4.24Å; F55-L87 HydrophobicContact CZ-CD1 4.44Å; G73-L87 CarbonylContact C-O 3.6Å; G73-L87 WeakPolarHBondContact CA-O 3.29Å; G74-L87 WeakPolarHBondContact O-CB 3.42Å; G74-L87 PolarHBondContact O-N 3.12Å; F76-L87 HydrophobicContact CD1-CD1 3.65Å; F76-L87 HydrophobicContact CD1-CG 4.16Å; F76-L87 HydrophobicContact CE1-CD1 3.62Å; F76-L87 HydrophobicContact CE1-CD2 4.12Å; F76-L87 HydrophobicContact CE1-CG 3.91Å; V85-L87 HydrophobicContact CG1-CD2 4.35Å; V85-L87 HydrophobicContact CG1-CG 4.47Å; L87-V92 HydrophobicContact CD1-CG2 3.74Å; L87-L95 HydrophobicContact CD2-CD1 4.32Å; L87-L95 HydrophobicContact CD2-CD2 3.59Å; L87-L95 HydrophobicContact CD2-CG 3.8Å | ||
| 88 | D | 74.6 | Confident | 82.6 | Confident | 122 Ų | 122 | 77.5 Ų | 77.5 | 65% | 0.652 | 38% | 0.375 | S | S | * | . | trans | -60.6 | 174.1 | 171.7 | -86.3 | -43.5 | 0 | 0 | 0 | 113.3 | H90 G91 | D88-H90 PolarHBondContact O-N 3.27Å; D88-G91 PolarHBondContact O-N 2.84Å | ||
| 89 | R | 72.6 | Confident | 82.6 | Confident | 221 Ų | 221 | 82.6 Ų | 82.6 | 83% | 0.834 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | -13.3 | 167.9 | 69.3 | 179.1 | -174.9 | -119 | 0.8 | 116.1 | ||
| 90 | H | 74.1 | Confident | 82.6 | Confident | 100 Ų | 100 | 85.7 Ų | 85.7 | 46% | 0.463 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -1.4 | 176.6 | -46.7 | 116.2 | 0 | 0 | 0 | 112.9 | D88 Y93 | D88-H90 PolarHBondContact O-N 3.27Å; H90-Y93 WeakPolarHBondContact O-CB 3.19Å; H90-Y93 PolarHBondContact O-N 3.47Å |
| 91 | G | 79.8 | Confident | 82.7 | Confident | 14 Ų | 14 | 84 Ų | 84 | 14% | 0.144 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | 54.3 | -147 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D88 Y93 G94 | D88-G91 PolarHBondContact O-N 2.84Å; G91-Y93 PolarHBondContact O-N 3.47Å; G91-G94 PolarHBondContact O-N 2.95Å |
| 92 | V | 79.6 | Confident | 82.5 | Confident | 4 Ų | 4 | 83.5 Ų | 83.5 | 2% | 0.024 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -56 | -23.9 | 176.3 | 174.8 | 0 | 0 | 0 | 0 | 112.7 | A51 F55 L87 G94 L95 | A51-V92 HydrophobicContact CB-CG1 3.78Å; A51-V92 WeakPolarHBondContact O-CG2 3.47Å; F55-V92 HydrophobicContact CB-CG2 3.47Å; F55-V92 VanDerWaalsContact CB-CG2 3.47Å; F55-V92 HydrophobicContact CD1-CG2 4.06Å; F55-V92 HydrophobicContact CD2-CG2 4.15Å; F55-V92 HydrophobicContact CG-CG2 3.64Å; L87-V92 HydrophobicContact CD1-CG2 3.74Å; V92-G94 PolarHBondContact O-N 3.11Å; V92-L95 HydrophobicContact CG1-CD1 4.29Å; V92-L95 WeakPolarHBondContact O-CB 3.31Å; V92-L95 PolarHBondContact O-N 3.4Å |
| 93 | Y | 80.1 | Confident | 82.6 | Confident | 170 Ų | 170 | 78.4 Ų | 78.4 | 67% | 0.667 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -70.1 | -20.6 | 178.9 | -72.7 | -108 | 0 | 0 | 0 | 113 | R48 H90 G91 | R48-Y93 PolarHBondContact NH2-O 3.14Å; H90-Y93 WeakPolarHBondContact O-CB 3.19Å; H90-Y93 PolarHBondContact O-N 3.47Å; G91-Y93 PolarHBondContact O-N 3.47Å |
| 94 | G | 78.2 | Confident | 82.6 | Confident | 40 Ų | 40 | 77.4 Ų | 77.4 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -80 | -11.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G91 V92 Q96 | G91-G94 PolarHBondContact O-N 2.95Å; V92-G94 PolarHBondContact O-N 3.11Å; G94-Q96 PolarHBondContact O-N 3.23Å |
| 95 | L | 85.6 | Confident | 82.6 | Confident | 13 Ų | 13 | 74 Ų | 74 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -64.8 | 130.9 | 174 | -65.8 | 178.3 | 0 | 0 | 0 | 110.4 | V37 R48 A51 F76 L87 V92 | V37-L95 HydrophobicContact CB-CB 3.92Å; V37-L95 HydrophobicContact CG1-CB 4.32Å; V37-L95 HydrophobicContact CG2-CB 4.33Å; V37-L95 HydrophobicContact CG2-CD1 4.09Å; R48-L95 PolarHBondContact NH1-O 2.97Å; A51-L95 HydrophobicContact CB-CD1 4.38Å; F76-L95 HydrophobicContact CZ-CD1 4.39Å; L87-L95 HydrophobicContact CD2-CD1 4.32Å; L87-L95 HydrophobicContact CD2-CD2 3.59Å; L87-L95 HydrophobicContact CD2-CG 3.8Å; V92-L95 HydrophobicContact CG1-CD1 4.29Å; V92-L95 WeakPolarHBondContact O-CB 3.31Å; V92-L95 PolarHBondContact O-N 3.4Å |
| 96 | Q | 85.5 | Confident | 82.7 | Confident | 118 Ų | 118 | 77.6 Ų | 77.6 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 140.5 | -179.1 | -65.9 | -177.7 | -6.7 | 0 | 0 | 110.5 | V37 V38 L40 G94 | V37-Q96 CarbonylContact C-O 3.55Å; V37-Q96 VanDerWaalsContact CA-O 3.23Å; V37-Q96 WeakPolarHBondContact CA-O 3.35Å; V38-Q96 PolarHBondContact N-O 3.26Å; L40-Q96 HydrophobicContact CD1-CG 4.26Å; G94-Q96 PolarHBondContact O-N 3.23Å |
| 97 | R | 88.9 | Confident | 82.8 | Confident | 134 Ų | 134 | 77.6 Ų | 77.6 | 51% | 0.506 | 38% | 0.378 | S | S | . | . | B | Isolated β-bridge | trans | -77.9 | 139.6 | 174.2 | -70.4 | -167.1 | -172.3 | 102.4 | 1.6 | 110.9 | P36 V37 L99 | P36-R97 CarbonylContact O-C 3.59Å; P36-R97 VanDerWaalsContact O-CA 3.25Å; P36-R97 WeakPolarHBondContact O-CA 3.29Å; V37-R97 HydrophobicContact CG1-CG 4.33Å; R97-L99 HydrophobicContact CB-CD2 4.39Å; R97-L99 PolarHBondContact O-N 2.85Å |
| 98 | N | 87.9 | Confident | 82.9 | Confident | 33 Ų | 33 | 78.6 Ų | 78.6 | 18% | 0.176 | 38% | 0.382 | C | S | . | . | trans | -88 | 82.1 | 172.5 | -161.5 | -25.3 | 0 | 0 | 0 | 111 | P36 V38 N45 L100 V101 E102 | P36-N98 HydrophobicContact CB-CB 4.16Å; P36-N98 HydrophobicContact CG-CB 4.2Å; P36-N98 WeakPolarHBondContact CG-O 3.23Å; P36-N98 PolarHBondContact O-N 3.44Å; V38-N98 HydrophobicContact CG2-CB 3.64Å; N45-N98 WeakPolarHBondContact OD1-CB 3.42Å; N45-N98 PolarHBondContact OD1-ND2 3.36Å; N98-L100 PolarHBondContact O-N 3.4Å; N98-L100 VanDerWaalsContact O-N 3.16Å; N98-L100 WeakPolarHBondContact OD1-CB 3.11Å; N98-L100 PolarHBondContact OD1-N 2.9Å; N98-V101 HydrophobicContact CB-CB 4.23Å; N98-V101 HydrophobicContact CB-CG2 4.28Å; N98-V101 WeakPolarHBondContact ND2-CG2 3.39Å; N98-V101 PolarHBondContact O-N 2.92Å; N98-V101 PolarHBondContact OD1-N 3.02Å; N98-E102 PolarHBondContact O-N 3.4Å | ||
| 99 | L | 87.3 | Confident | 83.1 | Confident | 107 Ų | 107 | 77.3 Ų | 77.3 | 56% | 0.56 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.9 | -24 | 179 | -60.7 | 178.6 | 0 | 0 | 0 | 112.9 | R97 N103 | R97-L99 HydrophobicContact CB-CD2 4.39Å; R97-L99 PolarHBondContact O-N 2.85Å; L99-N103 WeakPolarHBondContact O-CB 3.48Å; L99-N103 PolarHBondContact O-N 2.9Å; L99-N103 PolarHBondContact O-ND2 3.28Å; L99-N103 PolarHBondContact O-OD1 2.94Å |
| 100 | L | 87.1 | Confident | 83.3 | Confident | 115 Ų | 115 | 73.2 Ų | 73.2 | 60% | 0.602 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -71 | -44 | 177.2 | -177.4 | 150.4 | 0 | 0 | 0 | 111.3 | N98 N103 I104 | N98-L100 PolarHBondContact O-N 3.4Å; N98-L100 VanDerWaalsContact O-N 3.16Å; N98-L100 WeakPolarHBondContact OD1-CB 3.11Å; N98-L100 PolarHBondContact OD1-N 2.9Å; L100-N103 PolarHBondContact O-N 3.35Å; L100-I104 HydrophobicContact CD2-CD1 3.6Å; L100-I104 HydrophobicContact CG-CD1 4.42Å; L100-I104 VanDerWaalsContact O-CG1 3.31Å; L100-I104 WeakPolarHBondContact O-CG1 3.35Å; L100-I104 PolarHBondContact O-N 2.81Å |
| 101 | V | 86.3 | Confident | 83.1 | Confident | 18 Ų | 18 | 73.1 Ų | 73.1 | 11% | 0.109 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.9 | -38.6 | 174.2 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | L24 F33 P36 N98 I104 I105 | L24-V101 HydrophobicContact CD2-CG1 4.37Å; F33-V101 HydrophobicContact CB-CG1 4.27Å; F33-V101 HydrophobicContact CD2-CG1 3.79Å; F33-V101 HydrophobicContact CG-CG1 4.3Å; P36-V101 HydrophobicContact CB-CB 4.41Å; P36-V101 HydrophobicContact CB-CG1 4.24Å; P36-V101 HydrophobicContact CG-CB 3.97Å; P36-V101 HydrophobicContact CG-CG1 3.97Å; N98-V101 HydrophobicContact CB-CB 4.23Å; N98-V101 HydrophobicContact CB-CG2 4.28Å; N98-V101 WeakPolarHBondContact ND2-CG2 3.39Å; N98-V101 PolarHBondContact O-N 2.92Å; N98-V101 PolarHBondContact OD1-N 3.02Å; V101-I104 PolarHBondContact O-N 2.93Å; V101-I105 HydrophobicContact CG1-CD1 4Å; V101-I105 WeakPolarHBondContact O-CG1 3.18Å; V101-I105 PolarHBondContact O-N 3.31Å; V101-I105 VanDerWaalsContact O-N 3.15Å |
| 102 | E | 86.4 | Confident | 82.3 | Confident | 44 Ų | 44 | 76.3 Ų | 76.3 | 21% | 0.206 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 175.4 | -158.6 | 156.2 | -151.2 | 0 | 0 | 110.8 | K35 P36 N98 I105 D106 | K35-E102 WeakPolarHBondContact CA-OE1 3.39Å; K35-E102 VanDerWaalsContact CG-OE1 3.24Å; K35-E102 WeakPolarHBondContact CG-OE1 3.35Å; P36-E102 HydrophobicContact CG-CB 4.17Å; N98-E102 PolarHBondContact O-N 3.4Å; E102-I105 PolarHBondContact O-N 3.43Å; E102-D106 PolarHBondContact O-N 2.8Å |
| 103 | N | 87.4 | Confident | 81.1 | Confident | 100 Ų | 100 | 81.3 Ų | 81.3 | 54% | 0.535 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 175.5 | -71 | -15.5 | 0 | 0 | 0 | 113.8 | L99 L100 I105 D106 I107 | L99-N103 WeakPolarHBondContact O-CB 3.48Å; L99-N103 PolarHBondContact O-N 2.9Å; L99-N103 PolarHBondContact O-ND2 3.28Å; L99-N103 PolarHBondContact O-OD1 2.94Å; L100-N103 PolarHBondContact O-N 3.35Å; N103-I105 VanDerWaalsContact C-N 3.33Å; N103-I105 PolarHBondContact O-N 2.82Å; N103-D106 PolarHBondContact O-N 3.43Å; N103-I107 WeakPolarHBondContact O-CG1 3.41Å; N103-I107 PolarHBondContact O-N 3.3Å; N103-I107 VanDerWaalsContact O-N 3.11Å |
| 104 | I | 87 | Confident | 79.7 | Confident | 74 Ų | 74 | 81.5 Ų | 81.5 | 38% | 0.379 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 180 | -69.8 | 168.7 | 0 | 0 | 0 | 110.8 | L24 L100 V101 D106 I107 Y108 | L24-I104 HydrophobicContact CD1-CG2 3.9Å; L24-I104 HydrophobicContact CD2-CB 4.44Å; L24-I104 HydrophobicContact CD2-CG2 3.86Å; L24-I104 HydrophobicContact CG-CG2 4.49Å; L100-I104 HydrophobicContact CD2-CD1 3.6Å; L100-I104 HydrophobicContact CG-CD1 4.42Å; L100-I104 VanDerWaalsContact O-CG1 3.31Å; L100-I104 WeakPolarHBondContact O-CG1 3.35Å; L100-I104 PolarHBondContact O-N 2.81Å; V101-I104 PolarHBondContact O-N 2.93Å; I104-D106 VanDerWaalsContact C-N 3.32Å; I104-D106 PolarHBondContact O-N 2.61Å; I104-I107 PolarHBondContact O-N 3.16Å; I104-Y108 PolarHBondContact O-N 3.27Å |
| 105 | I | 85.4 | Confident | 78.2 | Confident | 3 Ų | 3 | 85.3 Ų | 85.3 | 2% | 0.015 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.9 | -39 | 177.1 | -73.5 | 170.8 | 0 | 0 | 0 | 111.5 | L24 F33 V101 E102 N103 Y108 K109 | L24-I105 HydrophobicContact CB-CD1 4.28Å; L24-I105 HydrophobicContact CB-CG1 3.98Å; L24-I105 HydrophobicContact CD1-CG1 3.96Å; L24-I105 HydrophobicContact CD2-CG1 3.97Å; L24-I105 HydrophobicContact CG-CG1 4.17Å; F33-I105 HydrophobicContact CB-CD1 3.65Å; F33-I105 HydrophobicContact CD2-CD1 4.44Å; F33-I105 WeakPolarHBondContact O-CD1 3.47Å; V101-I105 HydrophobicContact CG1-CD1 4Å; V101-I105 WeakPolarHBondContact O-CG1 3.18Å; V101-I105 PolarHBondContact O-N 3.31Å; V101-I105 VanDerWaalsContact O-N 3.15Å; E102-I105 PolarHBondContact O-N 3.43Å; N103-I105 VanDerWaalsContact C-N 3.33Å; N103-I105 PolarHBondContact O-N 2.82Å; I105-Y108 PolarHBondContact O-N 3.46Å; I105-K109 HydrophobicContact CG2-CD 4.11Å; I105-K109 VanDerWaalsContact CG2-CE 3.42Å; I105-K109 WeakPolarHBondContact O-CD 3.37Å; I105-K109 VanDerWaalsContact O-CG 3.3Å; I105-K109 WeakPolarHBondContact O-CG 3.33Å; I105-K109 PolarHBondContact O-N 3.21Å; I105-K109 VanDerWaalsContact O-N 3.16Å |
| 106 | D | 83.4 | Confident | 76.4 | Confident | 78 Ų | 78 | 92.7 Ų | 92.7 | 42% | 0.417 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.1 | -28.5 | 177.7 | -74.7 | -12.4 | 0 | 0 | 0 | 112.9 | E102 N103 I104 Q110 | E102-D106 PolarHBondContact O-N 2.8Å; N103-D106 PolarHBondContact O-N 3.43Å; I104-D106 VanDerWaalsContact C-N 3.32Å; I104-D106 PolarHBondContact O-N 2.61Å; D106-Q110 VanDerWaalsContact O-CG 3.32Å; D106-Q110 WeakPolarHBondContact O-CG 3.44Å; D106-Q110 PolarHBondContact O-N 3.19Å; D106-Q110 PolarHBondContact O-NE2 2.68Å |
| 107 | I | 83.2 | Confident | 74.7 | Confident | 111 Ų | 111 | 96.6 Ų | 96.6 | 57% | 0.569 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -71.2 | -46.9 | 171.4 | -65.5 | 169 | 0 | 0 | 0 | 110.7 | N103 I104 K109 Q110 E111 | N103-I107 WeakPolarHBondContact O-CG1 3.41Å; N103-I107 PolarHBondContact O-N 3.3Å; N103-I107 VanDerWaalsContact O-N 3.11Å; I104-I107 PolarHBondContact O-N 3.16Å; I107-K109 VanDerWaalsContact C-N 3.31Å; I107-K109 PolarHBondContact O-N 3.2Å; I107-Q110 PolarHBondContact O-N 3.35Å; I107-E111 PolarHBondContact O-N 3.49Å; I107-E111 VanDerWaalsContact O-N 3.14Å |
| 108 | Y | 80.9 | Confident | 72.6 | Confident | 31 Ų | 31 | 99.8 Ų | 99.8 | 12% | 0.122 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -55.8 | -45.2 | 178.4 | 178.9 | -89.2 | 0 | 0 | 0 | 111.9 | M17 E21 L24 M32 I104 I105 Q110 E111 S112 | M17-Y108 HydrophobicContact CE-CD2 3.8Å; M17-Y108 HydrophobicContact CE-CE2 3.71Å; E21-Y108 HydrophobicContact CB-CE2 4.22Å; E21-Y108 VanDerWaalsContact CD-OH 3.27Å; E21-Y108 PolarHBondContact OE1-OH 3.43Å; L24-Y108 HydrophobicContact CD1-CG 4.5Å; M32-Y108 HydrophobicContact CE-CD1 4.03Å; M32-Y108 HydrophobicContact CE-CE1 3.59Å; I104-Y108 PolarHBondContact O-N 3.27Å; I105-Y108 PolarHBondContact O-N 3.46Å; Y108-Q110 VanDerWaalsContact C-N 3.28Å; Y108-Q110 PolarHBondContact O-N 3.32Å; Y108-E111 PolarHBondContact O-N 3.08Å; Y108-S112 VanDerWaalsContact O-CB 3.29Å; Y108-S112 WeakPolarHBondContact O-CB 3.26Å; Y108-S112 PolarHBondContact O-N 2.97Å |
| 109 | K | 79.1 | Confident | 70.4 | Confident | 95 Ų | 95 | 103.4 Ų | 103.4 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -27.5 | 176.7 | -71 | 167.3 | -176.6 | 169 | 0 | 114 | I105 I107 T113 | I105-K109 HydrophobicContact CG2-CD 4.11Å; I105-K109 VanDerWaalsContact CG2-CE 3.42Å; I105-K109 WeakPolarHBondContact O-CD 3.37Å; I105-K109 VanDerWaalsContact O-CG 3.3Å; I105-K109 WeakPolarHBondContact O-CG 3.33Å; I105-K109 PolarHBondContact O-N 3.21Å; I105-K109 VanDerWaalsContact O-N 3.16Å; I107-K109 VanDerWaalsContact C-N 3.31Å; I107-K109 PolarHBondContact O-N 3.2Å; K109-T113 WeakPolarHBondContact O-CG2 3.35Å; K109-T113 PolarHBondContact O-OG1 3.41Å |
| 110 | Q | 75.6 | Confident | 68.8 | Low | 136 Ų | 136 | 106 Ų | 106 | 64% | 0.636 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -78.8 | -39.1 | 178.3 | -77.7 | 170.8 | 58.8 | 0 | 0 | 112.1 | D106 I107 Y108 T113 | D106-Q110 VanDerWaalsContact O-CG 3.32Å; D106-Q110 WeakPolarHBondContact O-CG 3.44Å; D106-Q110 PolarHBondContact O-N 3.19Å; D106-Q110 PolarHBondContact O-NE2 2.68Å; I107-Q110 PolarHBondContact O-N 3.35Å; Y108-Q110 VanDerWaalsContact C-N 3.28Å; Y108-Q110 PolarHBondContact O-N 3.32Å; Q110-T113 PolarHBondContact O-OG1 2.86Å |
| 111 | E | 71.2 | Confident | 67.5 | Low | 98 Ų | 98 | 107 Ų | 107 | 46% | 0.458 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -75.5 | -37.9 | 178.4 | -161.9 | 61.4 | -150.1 | 0 | 0 | 111.5 | I107 Y108 T113 R114 | I107-E111 PolarHBondContact O-N 3.49Å; I107-E111 VanDerWaalsContact O-N 3.14Å; Y108-E111 PolarHBondContact O-N 3.08Å; E111-T113 PolarHBondContact O-N 2.9Å; E111-T113 VanDerWaalsContact O-N 3.08Å; E111-R114 PolarHBondContact O-N 3.46Å; E111-R114 WeakPolarHBondContact OE1-CD 3.32Å; E111-R114 IonicContact OE1-CZ 3.52Å; E111-R114 IonicContact OE1-NE 3.71Å; E111-R114 IonicContact OE1-NH1 2.82Å; E111-R114 PolarHBondContact OE1-NH1 2.87Å; E111-R114 IonicContact OE2-CZ 3.49Å; E111-R114 IonicContact OE2-NH1 2.74Å; E111-R114 PolarHBondContact OE2-NH1 3.03Å |
| 112 | S | 62.8 | Low | 66.9 | Low | 80 Ų | 80 | 110.4 Ų | 110.4 | 56% | 0.559 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -17.5 | 176.4 | 170.1 | 0 | 0 | 0 | 0 | 114.4 | Y108 | Y108-S112 VanDerWaalsContact O-CB 3.29Å; Y108-S112 WeakPolarHBondContact O-CB 3.26Å; Y108-S112 PolarHBondContact O-N 2.97Å |
| 113 | T | 54.5 | Low | 66.7 | Low | 109 Ų | 109 | 111.7 Ų | 111.7 | 67% | 0.669 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 14.3 | -177.1 | 48.2 | 0 | 0 | 0 | 0 | 114.6 | K109 Q110 E111 | K109-T113 WeakPolarHBondContact O-CG2 3.35Å; K109-T113 PolarHBondContact O-OG1 3.41Å; Q110-T113 PolarHBondContact O-OG1 2.86Å; E111-T113 PolarHBondContact O-N 2.9Å; E111-T113 VanDerWaalsContact O-N 3.08Å |
| 114 | R | 49.8 | Very low | 66.5 | Low | 174 Ų | 174 | 107.5 Ų | 107.5 | 66% | 0.657 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 125.7 | 174.4 | -92.9 | 173.1 | 156.4 | -177.2 | -2.7 | 113 | E111 | E111-R114 PolarHBondContact O-N 3.46Å; E111-R114 WeakPolarHBondContact OE1-CD 3.32Å; E111-R114 IonicContact OE1-CZ 3.52Å; E111-R114 IonicContact OE1-NE 3.71Å; E111-R114 IonicContact OE1-NH1 2.82Å; E111-R114 PolarHBondContact OE1-NH1 2.87Å; E111-R114 IonicContact OE2-CZ 3.49Å; E111-R114 IonicContact OE2-NH1 2.74Å; E111-R114 PolarHBondContact OE2-NH1 3.03Å |
| 115 | P | 47.5 | Very low | 66.2 | Low | 121 Ų | 121 | 113.3 Ų | 113.3 | 79% | 0.786 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 131.2 | 172.3 | 31 | -33.2 | 0 | 0 | 0 | 111.9 | ||
| 116 | E | 48.2 | Very low | 65.8 | Low | 167 Ų | 167 | 119.2 Ų | 119.2 | 78% | 0.78 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 162.5 | 178.7 | -59.7 | -172.1 | 128.3 | 0 | 0 | 113.5 | ||
| 117 | K | 48.3 | Very low | 65.6 | Low | 201 Ų | 201 | 118 Ų | 118 | 87% | 0.874 | 59% | 0.591 | S | S | * | * | trans | -112.2 | 129.2 | -175.9 | -75.6 | -178 | 176 | 173 | 0 | 113.3 | ||||
| 118 | K | 45.2 | Very low | 65.1 | Low | 200 Ų | 200 | 120.8 Ų | 120.8 | 87% | 0.87 | 60% | 0.602 | S | S | * | * | trans | 9.2 | 126.2 | 155.7 | -62.4 | -175.2 | 177.5 | -175.6 | 0 | 118.5 | ||||
| 119 | S | 41 | Very low | 64.7 | Low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 64% | 0.637 | S | S | * | * | trans | -63.6 | 139.8 | 167.3 | 54 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 120 | D | 54.8 | Low | 64.7 | Low | 163 Ų | 163 | 126.5 Ų | 126.5 | 87% | 0.872 | 63% | 0.631 | S | S | * | * | trans | -71.3 | 158.3 | 158 | -68.1 | -53.6 | 0 | 0 | 0 | 111.3 | ||||
| 121 | Q | 60.4 | Low | 65 | Low | 136 Ų | 136 | 126.6 Ų | 126.6 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | trans | -112.4 | 139.9 | 177.7 | -71 | 178.8 | -27.9 | 0 | 0 | 110.4 | ||||
| 122 | P | 73 | Confident | 65.6 | Low | 89 Ų | 89 | 123.9 Ų | 123.9 | 58% | 0.578 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 134.4 | -175.8 | 28.6 | -34.9 | 0 | 0 | 0 | 112.7 | I132 | P122-I132 HydrophobicContact CB-CD1 4.32Å; P122-I132 PolarHBondContact O-N 3.12Å |
| 123 | M | 81.9 | Confident | 66.5 | Low | 71 Ų | 71 | 123.3 Ų | 123.3 | 35% | 0.35 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 163.1 | 174.3 | -56.1 | -59.4 | -70.2 | 0 | 0 | 110.3 | E128 E129 E130 R131 I132 | M123-E128 WeakPolarHBondContact CE-O 3.44Å; M123-E129 VanDerWaalsContact CE-O 3.28Å; M123-E129 WeakPolarHBondContact CE-O 3.34Å; M123-E130 WeakPolarHBondContact CA-O 3.29Å; M123-E130 WeakPolarHBondContact CE-O 3.26Å; M123-R131 HydrophobicContact CE-CG 4.16Å; M123-R131 HydrophobicContact SD-CG 3.56Å; M123-R131 VanDerWaalsContact SD-CG 3.56Å; M123-I132 WeakPolarHBondContact O-CD1 3.5Å |
| 124 | C | 82.4 | Confident | 68.1 | Low | 11 Ų | 11 | 119.7 Ų | 119.7 | 7% | 0.074 | 58% | 0.581 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.2 | 134.3 | -179.4 | -177.4 | 0 | 0 | 0 | 0 | 112.6 | E126 H127 E128 E130 I132 C144 | C124-E126 VanDerWaalsContact C-N 3.31Å; C124-E126 PolarHBondContact O-N 2.89Å; C124-H127 HydrophobicContact CB-CB 4.06Å; C124-H127 CarbonylContact O-C 3.21Å; C124-H127 PolarHBondContact O-N 2.88Å; C124-H127 VanDerWaalsContact O-N 3.15Å; C124-E128 PolarHBondContact O-N 2.95Å; C124-E130 PolarHBondContact N-O 3.13Å; C124-I132 HydrophobicContact CB-CG1 4.38Å; C124-C144 HydrophobicContact CB-CB 3.85Å; C124-C144 VanDerWaalsContact SG-SG 3.63Å |
| 125 | E | 80.6 | Confident | 70.1 | Confident | 197 Ų | 197 | 112.5 Ų | 112.5 | 92% | 0.921 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -29.1 | 179.7 | -58.8 | -174.1 | 170.5 | 0 | 0 | 113.8 | ||
| 126 | E | 77.6 | Confident | 72.2 | Confident | 127 Ų | 127 | 106.8 Ų | 106.8 | 59% | 0.593 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -18.6 | 174 | -65 | -172.7 | 145.2 | 0 | 0 | 113.2 | C124 C147 | C124-E126 VanDerWaalsContact C-N 3.31Å; C124-E126 PolarHBondContact O-N 2.89Å; E126-C147 PolarHBondContact OE2-SG 3.46Å |
| 127 | H | 79.1 | Confident | 74.2 | Confident | 52 Ų | 52 | 101.8 Ų | 101.8 | 24% | 0.241 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 79.5 | -168.1 | -59.9 | 93.8 | 0 | 0 | 0 | 109.9 | C124 E129 E130 L146 C147 | C124-H127 HydrophobicContact CB-CB 4.06Å; C124-H127 CarbonylContact O-C 3.21Å; C124-H127 PolarHBondContact O-N 2.88Å; C124-H127 VanDerWaalsContact O-N 3.15Å; H127-E129 PolarHBondContact O-N 3.46Å; H127-E130 HydrophobicContact CB-CB 4Å; H127-E130 PolarHBondContact O-N 2.95Å; H127-L146 HydrophobicContact CB-CD1 4.32Å; H127-L146 VanDerWaalsContact CD2-CD1 3.45Å; H127-L146 WeakPolarHBondContact CD2-CD1 3.39Å; H127-C147 VanDerWaalsContact CE1-SG 3.53Å; H127-C147 PolarHBondContact ND1-SG 3.38Å |
| 128 | E | 72.4 | Confident | 76.2 | Confident | 170 Ų | 170 | 97.1 Ų | 97.1 | 79% | 0.794 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.7 | -26.9 | -169.8 | -59.1 | -178.7 | 175.2 | 0 | 0 | 114.6 | M123 C124 | M123-E128 WeakPolarHBondContact CE-O 3.44Å; C124-E128 PolarHBondContact O-N 2.95Å |
| 129 | E | 74.1 | Confident | 78.3 | Confident | 182 Ų | 182 | 90.3 Ų | 90.3 | 85% | 0.85 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -12.9 | 178.2 | -61.2 | -171.7 | 170.6 | 0 | 0 | 114.1 | M123 H127 | M123-E129 VanDerWaalsContact CE-O 3.28Å; M123-E129 WeakPolarHBondContact CE-O 3.34Å; H127-E129 PolarHBondContact O-N 3.46Å |
| 130 | E | 77.3 | Confident | 80.6 | Confident | 64 Ų | 64 | 92.3 Ų | 92.3 | 30% | 0.299 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 139.7 | -175.8 | -86.7 | -68.6 | 175.7 | 0 | 0 | 113.7 | M123 C124 H127 C144 L146 | M123-E130 WeakPolarHBondContact CA-O 3.29Å; M123-E130 WeakPolarHBondContact CE-O 3.26Å; C124-E130 PolarHBondContact N-O 3.13Å; H127-E130 HydrophobicContact CB-CB 4Å; H127-E130 PolarHBondContact O-N 2.95Å; E130-C144 HydrophobicContact CB-CB 4.03Å; E130-L146 HydrophobicContact CG-CD1 3.68Å; E130-L146 HydrophobicContact CG-CG 3.95Å |
| 131 | R | 82.1 | Confident | 82.3 | Confident | 137 Ų | 137 | 87.5 Ų | 87.5 | 52% | 0.517 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 144 | 178.1 | -76.9 | 176.8 | -178.1 | 71.4 | 7.8 | 111.2 | M123 N133 C144 | M123-R131 HydrophobicContact CE-CG 4.16Å; M123-R131 HydrophobicContact SD-CG 3.56Å; M123-R131 VanDerWaalsContact SD-CG 3.56Å; R131-N133 PolarHBondContact O-N 3.04Å; R131-C144 WeakPolarHBondContact O-CB 3.44Å |
| 132 | I | 85.6 | Confident | 83.7 | Confident | 41 Ų | 41 | 84.2 Ų | 84.2 | 21% | 0.21 | 42% | 0.421 | C | S | . | . | trans | -72.1 | 112.3 | 169.3 | -62.8 | -175.5 | 0 | 0 | 0 | 108.6 | P122 M123 C124 P142 L161 | P122-I132 HydrophobicContact CB-CD1 4.32Å; P122-I132 PolarHBondContact O-N 3.12Å; M123-I132 WeakPolarHBondContact O-CD1 3.5Å; C124-I132 HydrophobicContact CB-CG1 4.38Å; I132-P142 HydrophobicContact CG2-CB 3.66Å; I132-P142 HydrophobicContact CG2-CG 4.4Å; I132-L161 HydrophobicContact CG2-CD2 4.18Å | ||
| 133 | N | 81.6 | Confident | 84.5 | Confident | 68 Ų | 68 | 80.4 Ų | 80.4 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | trans | -136.5 | -10.5 | -169.8 | 64.9 | -11.9 | 0 | 0 | 0 | 114 | R131 T143 S145 L161 | R131-N133 PolarHBondContact O-N 3.04Å; N133-T143 PolarHBondContact N-O 3.03Å; N133-S145 PolarHBondContact ND2-OG 3.1Å; N133-L161 VanDerWaalsContact O-CB 3.29Å; N133-L161 WeakPolarHBondContact O-CB 3.28Å; N133-L161 PolarHBondContact O-N 2.94Å | ||
| 134 | I | 87.9 | Confident | 84.8 | Confident | 33 Ų | 33 | 77 Ų | 77 | 17% | 0.169 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 155.2 | -174.1 | -71.4 | 163.1 | 0 | 0 | 0 | 108.4 | P142 T143 V158 | I134-P142 WeakPolarHBondContact O-CA 3.34Å; I134-T143 HydrophobicContact CB-CG2 4.22Å; I134-T143 HydrophobicContact CG2-CG2 3.95Å; I134-T143 PolarHBondContact N-O 2.98Å; I134-T143 VanDerWaalsContact N-O 3.08Å; I134-T143 PolarHBondContact O-N 3.29Å; I134-T143 VanDerWaalsContact O-O 3.07Å; I134-V158 HydrophobicContact CG2-CB 3.57Å; I134-V158 HydrophobicContact CG2-CG1 3.82Å; I134-V158 HydrophobicContact CG2-CG2 4.14Å |
| 135 | Y | 90.8 | Very high | 85 | Confident | 24 Ų | 24 | 78.1 Ų | 78.1 | 9% | 0.094 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 134 | 171.8 | -172.4 | -90.5 | 0 | 0 | 0 | 110.7 | L137 E140 P142 V158 A159 L161 V164 | Y135-L137 HydrophobicContact CD1-CD2 4.03Å; Y135-L137 HydrophobicContact CE1-CD2 4.3Å; Y135-E140 WeakPolarHBondContact CE2-O 3.19Å; Y135-E140 VanDerWaalsContact CZ-C 3.41Å; Y135-E140 VanDerWaalsContact CZ-O 3.26Å; Y135-E140 VanDerWaalsContact OH-CA 3.29Å; Y135-E140 WeakPolarHBondContact OH-CA 2.73Å; Y135-E140 PolarHBondContact OH-O 3.17Å; Y135-P142 HydrophobicContact CD2-CB 4.15Å; Y135-V158 CarbonylContact O-C 3.56Å; Y135-V158 VanDerWaalsContact O-CA 3.27Å; Y135-V158 WeakPolarHBondContact O-CA 3.15Å; Y135-A159 PolarHBondContact N-O 3.38Å; Y135-A159 PolarHBondContact O-N 3.28Å; Y135-L161 HydrophobicContact CD2-CD1 4.1Å; Y135-V164 HydrophobicContact CD1-CB 4.17Å; Y135-V164 HydrophobicContact CD1-CG1 3.71Å; Y135-V164 HydrophobicContact CD1-CG2 3.88Å; Y135-V164 HydrophobicContact CD2-CG1 4.34Å; Y135-V164 HydrophobicContact CE1-CG1 3.82Å; Y135-V164 HydrophobicContact CE2-CG1 4.47Å; Y135-V164 HydrophobicContact CG-CB 4.14Å; Y135-V164 HydrophobicContact CG-CG1 3.95Å; Y135-V164 HydrophobicContact CG-CG2 4.13Å |
| 136 | C | 91.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 115.4 | 179.8 | -172.1 | 0 | 0 | 0 | 0 | 110.8 | C139 E140 V141 T143 C156 V158 | C136-C139 HydrophobicContact CB-CB 4.25Å; C136-C139 VanDerWaalsContact SG-SG 3.7Å; C136-E140 WeakPolarHBondContact O-CA 3.43Å; C136-E140 PolarHBondContact O-N 3.35Å; C136-V141 HydrophobicContact CB-CG2 4.37Å; C136-V141 WeakPolarHBondContact CB-O 3.48Å; C136-V141 PolarHBondContact N-O 3.5Å; C136-T143 HydrophobicContact CB-CG2 4.42Å; C136-C156 WeakPolarHBondContact SG-CB 3.46Å; C136-V158 HydrophobicContact CB-CG1 4.46Å |
| 137 | L | 90.2 | Very high | 85.6 | Confident | 62 Ų | 62 | 65.6 Ų | 65.6 | 33% | 0.325 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -22.4 | -176.5 | -64.2 | 174.6 | 0 | 0 | 0 | 113 | Y135 Q157 A159 V164 | Y135-L137 HydrophobicContact CD1-CD2 4.03Å; Y135-L137 HydrophobicContact CE1-CD2 4.3Å; L137-Q157 HydrophobicContact CD1-CG 4.24Å; L137-Q157 PolarHBondContact N-O 3.2Å; L137-A159 HydrophobicContact CD1-CB 4.19Å; L137-A159 HydrophobicContact CD2-CB 4.49Å; L137-A159 HydrophobicContact CG-CB 4.39Å; L137-V164 HydrophobicContact CD2-CG2 4.19Å |
| 138 | N | 91.3 | Very high | 85.9 | Confident | 104 Ų | 104 | 65.7 Ų | 65.7 | 56% | 0.556 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -13.2 | 176.8 | -65.7 | 109.2 | 0 | 0 | 0 | 114.2 | C156 Q157 | N138-C156 HydrophobicContact CB-CB 4.19Å; N138-Q157 WeakPolarHBondContact OD1-CB 3.49Å; N138-Q157 PolarHBondContact OD1-N 3.1Å |
| 139 | C | 88.8 | Confident | 86.4 | Confident | 57 Ų | 57 | 61.6 Ų | 61.6 | 39% | 0.385 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | -1.1 | -177.8 | -54.2 | 0 | 0 | 0 | 0 | 112.8 | C136 V141 | C136-C139 HydrophobicContact CB-CB 4.25Å; C136-C139 VanDerWaalsContact SG-SG 3.7Å; C139-V141 HydrophobicContact CB-CG2 3.83Å; C139-V141 PolarHBondContact O-N 2.9Å |
| 140 | E | 90 | Very high | 86.8 | Confident | 150 Ų | 150 | 60.7 Ų | 60.7 | 70% | 0.701 | 31% | 0.31 | S | S | * | . | trans | 53 | 23.4 | 178.2 | -56.1 | -166.9 | 147 | 0 | 0 | 115.6 | Y135 C136 | Y135-E140 WeakPolarHBondContact CE2-O 3.19Å; Y135-E140 VanDerWaalsContact CZ-C 3.41Å; Y135-E140 VanDerWaalsContact CZ-O 3.26Å; Y135-E140 VanDerWaalsContact OH-CA 3.29Å; Y135-E140 WeakPolarHBondContact OH-CA 2.73Å; Y135-E140 PolarHBondContact OH-O 3.17Å; C136-E140 WeakPolarHBondContact O-CA 3.43Å; C136-E140 PolarHBondContact O-N 3.35Å | ||
| 141 | V | 89.4 | Confident | 87.1 | Confident | 63 Ų | 63 | 58.9 Ų | 58.9 | 38% | 0.382 | 31% | 0.308 | S | S | . | . | trans | -115.2 | 144.6 | -179.9 | -71.6 | 0 | 0 | 0 | 0 | 112.8 | C136 C139 | C136-V141 HydrophobicContact CB-CG2 4.37Å; C136-V141 WeakPolarHBondContact CB-O 3.48Å; C136-V141 PolarHBondContact N-O 3.5Å; C139-V141 HydrophobicContact CB-CG2 3.83Å; C139-V141 PolarHBondContact O-N 2.9Å | ||
| 142 | P | 89.7 | Confident | 87.1 | Confident | 67 Ų | 67 | 56.1 Ų | 56.1 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 143.5 | 169 | 36 | -36.7 | 0 | 0 | 0 | 110.1 | I132 I134 Y135 L161 | I132-P142 HydrophobicContact CG2-CB 3.66Å; I132-P142 HydrophobicContact CG2-CG 4.4Å; I134-P142 WeakPolarHBondContact O-CA 3.34Å; Y135-P142 HydrophobicContact CD2-CB 4.15Å; P142-L161 HydrophobicContact CB-CD1 3.97Å |
| 143 | T | 89.2 | Confident | 87.1 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 5% | 0.049 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 174.4 | -170.6 | -163.6 | 0 | 0 | 0 | 0 | 112.2 | N133 I134 C136 C147 H153 | N133-T143 PolarHBondContact N-O 3.03Å; I134-T143 HydrophobicContact CB-CG2 4.22Å; I134-T143 HydrophobicContact CG2-CG2 3.95Å; I134-T143 PolarHBondContact N-O 2.98Å; I134-T143 VanDerWaalsContact N-O 3.08Å; I134-T143 PolarHBondContact O-N 3.29Å; I134-T143 VanDerWaalsContact O-O 3.07Å; C136-T143 HydrophobicContact CB-CG2 4.42Å; T143-C147 WeakPolarHBondContact OG1-CB 3.29Å; T143-H153 PolarHBondContact OG1-CD2 3.21Å |
| 144 | C | 88.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | trans | -109.1 | 171.1 | 179.8 | 82.8 | 0 | 0 | 0 | 0 | 113.1 | C124 E130 R131 L146 C147 K148 | C124-C144 HydrophobicContact CB-CB 3.85Å; C124-C144 VanDerWaalsContact SG-SG 3.63Å; E130-C144 HydrophobicContact CB-CB 4.03Å; R131-C144 WeakPolarHBondContact O-CB 3.44Å; C144-L146 VanDerWaalsContact C-N 3.34Å; C144-L146 PolarHBondContact O-N 3.48Å; C144-C147 PolarHBondContact O-N 3.31Å; C144-K148 PolarHBondContact O-N 3.41Å | ||
| 145 | S | 86.6 | Confident | 87.4 | Confident | 35 Ų | 35 | 63.8 Ų | 63.8 | 25% | 0.245 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.2 | -40.9 | 180 | -41.7 | 0 | 0 | 0 | 0 | 113.2 | N133 K148 V149 | N133-S145 PolarHBondContact ND2-OG 3.1Å; S145-K148 PolarHBondContact O-N 3.05Å; S145-V149 WeakPolarHBondContact O-CG2 3.19Å; S145-V149 PolarHBondContact O-N 2.82Å |
| 146 | L | 86.1 | Confident | 87.3 | Confident | 58 Ų | 58 | 63.8 Ų | 63.8 | 30% | 0.304 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.9 | -41.9 | -178 | -68.5 | 176.9 | 0 | 0 | 0 | 112.6 | H127 E130 C144 K148 V149 F150 G151 | H127-L146 HydrophobicContact CB-CD1 4.32Å; H127-L146 VanDerWaalsContact CD2-CD1 3.45Å; H127-L146 WeakPolarHBondContact CD2-CD1 3.39Å; E130-L146 HydrophobicContact CG-CD1 3.68Å; E130-L146 HydrophobicContact CG-CG 3.95Å; C144-L146 VanDerWaalsContact C-N 3.34Å; C144-L146 PolarHBondContact O-N 3.48Å; L146-K148 PolarHBondContact O-N 2.91Å; L146-K148 VanDerWaalsContact O-N 3.15Å; L146-V149 PolarHBondContact O-N 2.76Å; L146-F150 HydrophobicContact CD2-CD2 4.03Å; L146-F150 HydrophobicContact CD2-CE2 4.32Å; L146-F150 PolarHBondContact O-N 3.08Å; L146-G151 PolarHBondContact O-N 2.94Å |
| 147 | C | 84.9 | Confident | 87.2 | Confident | 3 Ų | 3 | 70.1 Ų | 70.1 | 2% | 0.02 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.3 | -28.1 | 173 | -63.9 | 0 | 0 | 0 | 0 | 112.8 | E126 H127 T143 C144 G151 H153 | E126-C147 PolarHBondContact OE2-SG 3.46Å; H127-C147 VanDerWaalsContact CE1-SG 3.53Å; H127-C147 PolarHBondContact ND1-SG 3.38Å; T143-C147 WeakPolarHBondContact OG1-CB 3.29Å; C144-C147 PolarHBondContact O-N 3.31Å; C147-G151 CarbonylContact O-C 3.52Å; C147-G151 WeakPolarHBondContact O-CA 3.32Å; C147-G151 PolarHBondContact O-N 2.93Å; C147-H153 PolarHBondContact O-N 3.43Å |
| 148 | K | 85.5 | Confident | 87.2 | Confident | 53 Ų | 53 | 69.4 Ų | 69.4 | 23% | 0.23 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -85.6 | -35 | 175.5 | 174.2 | 55.9 | -166.6 | 167.8 | 0 | 114.3 | C144 S145 L146 H153 K154 C156 V158 | C144-K148 PolarHBondContact O-N 3.41Å; S145-K148 PolarHBondContact O-N 3.05Å; L146-K148 PolarHBondContact O-N 2.91Å; L146-K148 VanDerWaalsContact O-N 3.15Å; K148-H153 WeakPolarHBondContact CD-O 3.34Å; K148-H153 PolarHBondContact NZ-O 3.43Å; K148-K154 PolarHBondContact NZ-O 2.88Å; K148-K154 WeakPolarHBondContact O-CA 3.37Å; K148-C156 PolarHBondContact NZ-O 3.38Å; K148-V158 HydrophobicContact CD-CG1 3.76Å; K148-V158 HydrophobicContact CD-CG2 3.9Å; K148-V158 HydrophobicContact CG-CG1 4.31Å; K148-V158 HydrophobicContact CG-CG2 4.11Å |
| 149 | V | 83.5 | Confident | 87.1 | Confident | 84 Ų | 84 | 65.2 Ų | 65.2 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -86.9 | -37 | -177.1 | -179.1 | 0 | 0 | 0 | 0 | 112.2 | S145 L146 | S145-V149 WeakPolarHBondContact O-CG2 3.19Å; S145-V149 PolarHBondContact O-N 2.82Å; L146-V149 PolarHBondContact O-N 2.76Å |
| 150 | F | 81.1 | Confident | 87.1 | Confident | 164 Ų | 164 | 66.4 Ų | 66.4 | 72% | 0.719 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.1 | -24.7 | -173.2 | -57.2 | -70.1 | 0 | 0 | 0 | 114.4 | L146 | L146-F150 HydrophobicContact CD2-CD2 4.03Å; L146-F150 HydrophobicContact CD2-CE2 4.32Å; L146-F150 PolarHBondContact O-N 3.08Å |
| 151 | G | 83.5 | Confident | 87.1 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 26% | 0.258 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -88.5 | -159.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L146 C147 H153 K154 | L146-G151 PolarHBondContact O-N 2.94Å; C147-G151 CarbonylContact O-C 3.52Å; C147-G151 WeakPolarHBondContact O-CA 3.32Å; C147-G151 PolarHBondContact O-N 2.93Å; G151-H153 VanDerWaalsContact C-N 3.27Å; G151-H153 PolarHBondContact O-N 3.03Å; G151-H153 VanDerWaalsContact O-N 3.15Å; G151-K154 PolarHBondContact O-N 2.95Å |
| 152 | A | 83.9 | Confident | 86.9 | Confident | 80 Ų | 80 | 63.1 Ų | 63.1 | 66% | 0.661 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -22.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K154 | A152-K154 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 2.72Å |
| 153 | H | 85.5 | Confident | 86.8 | Confident | 30 Ų | 30 | 65.2 Ų | 65.2 | 14% | 0.139 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 16.3 | -177.5 | -61.3 | -54.8 | 0 | 0 | 0 | 114 | T143 C147 K148 G151 D155 C156 | T143-H153 PolarHBondContact OG1-CD2 3.21Å; C147-H153 PolarHBondContact O-N 3.43Å; K148-H153 WeakPolarHBondContact CD-O 3.34Å; K148-H153 PolarHBondContact NZ-O 3.43Å; G151-H153 VanDerWaalsContact C-N 3.27Å; G151-H153 PolarHBondContact O-N 3.03Å; G151-H153 VanDerWaalsContact O-N 3.15Å; H153-D155 VanDerWaalsContact C-N 3.32Å; H153-D155 PolarHBondContact O-N 3.23Å; H153-C156 HydrophobicContact CB-CB 4.2Å; H153-C156 WeakPolarHBondContact O-CB 3.44Å; H153-C156 PolarHBondContact O-N 3.14Å; H153-C156 VanDerWaalsContact O-N 3.1Å |
| 154 | K | 85.8 | Confident | 86.9 | Confident | 124 Ų | 124 | 65 Ų | 65 | 54% | 0.539 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | -48.9 | -177.1 | -173.1 | -174.1 | 173.6 | -166.4 | 0 | 114 | K148 G151 A152 | K148-K154 PolarHBondContact NZ-O 2.88Å; K148-K154 WeakPolarHBondContact O-CA 3.37Å; G151-K154 PolarHBondContact O-N 2.95Å; A152-K154 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 2.72Å |
| 155 | D | 88.3 | Confident | 87 | Confident | 148 Ų | 148 | 71 Ų | 71 | 79% | 0.791 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -0.1 | -175.7 | -56.2 | -52.2 | 0 | 0 | 0 | 113.2 | H153 | H153-D155 VanDerWaalsContact C-N 3.32Å; H153-D155 PolarHBondContact O-N 3.23Å |
| 156 | C | 90.6 | Very high | 87.3 | Confident | 24 Ų | 24 | 75.6 Ų | 75.6 | 16% | 0.162 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -77.5 | 145.7 | 177.7 | -55.6 | 0 | 0 | 0 | 0 | 112.6 | C136 N138 K148 H153 | C136-C156 WeakPolarHBondContact SG-CB 3.46Å; N138-C156 HydrophobicContact CB-CB 4.19Å; K148-C156 PolarHBondContact NZ-O 3.38Å; H153-C156 HydrophobicContact CB-CB 4.2Å; H153-C156 WeakPolarHBondContact O-CB 3.44Å; H153-C156 PolarHBondContact O-N 3.14Å; H153-C156 VanDerWaalsContact O-N 3.1Å |
| 157 | Q | 88.6 | Confident | 87.5 | Confident | 133 Ų | 133 | 77.9 Ų | 77.9 | 62% | 0.621 | 41% | 0.407 | S | S | * | . | trans | -71 | 137.5 | 167.2 | -162.3 | 178 | 20.7 | 0 | 0 | 110.3 | L137 N138 | L137-Q157 HydrophobicContact CD1-CG 4.24Å; L137-Q157 PolarHBondContact N-O 3.2Å; N138-Q157 WeakPolarHBondContact OD1-CB 3.49Å; N138-Q157 PolarHBondContact OD1-N 3.1Å | ||
| 158 | V | 90.3 | Very high | 87.9 | Confident | 47 Ų | 47 | 81.3 Ų | 81.3 | 29% | 0.285 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 154.7 | -177.6 | -68.6 | 0 | 0 | 0 | 0 | 111.4 | I134 Y135 C136 K148 | I134-V158 HydrophobicContact CG2-CB 3.57Å; I134-V158 HydrophobicContact CG2-CG1 3.82Å; I134-V158 HydrophobicContact CG2-CG2 4.14Å; Y135-V158 CarbonylContact O-C 3.56Å; Y135-V158 VanDerWaalsContact O-CA 3.27Å; Y135-V158 WeakPolarHBondContact O-CA 3.15Å; C136-V158 HydrophobicContact CB-CG1 4.46Å; K148-V158 HydrophobicContact CD-CG1 3.76Å; K148-V158 HydrophobicContact CD-CG2 3.9Å; K148-V158 HydrophobicContact CG-CG1 4.31Å; K148-V158 HydrophobicContact CG-CG2 4.11Å |
| 159 | A | 89.3 | Confident | 88.3 | Confident | 17 Ų | 17 | 85.2 Ų | 85.2 | 14% | 0.14 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 158.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y135 L137 L161 V164 | Y135-A159 PolarHBondContact N-O 3.38Å; Y135-A159 PolarHBondContact O-N 3.28Å; L137-A159 HydrophobicContact CD1-CB 4.19Å; L137-A159 HydrophobicContact CD2-CB 4.49Å; L137-A159 HydrophobicContact CG-CB 4.39Å; A159-L161 PolarHBondContact O-N 3.35Å; A159-V164 HydrophobicContact CB-CG2 3.78Å |
| 160 | P | 89.5 | Confident | 88.8 | Confident | 81 Ų | 81 | 83.7 Ų | 83.7 | 53% | 0.526 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 131.7 | 170.1 | -22.2 | 33.7 | 0 | 0 | 0 | 110.5 | T162 H163 V164 | P160-T162 PolarHBondContact O-N 3.44Å; P160-T162 VanDerWaalsContact O-N 3.15Å; P160-H163 PolarHBondContact O-N 2.85Å; P160-V164 PolarHBondContact O-N 3.2Å |
| 161 | L | 87.9 | Confident | 89.5 | Confident | 49 Ų | 49 | 80.2 Ų | 80.2 | 26% | 0.257 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56.9 | -35 | -176.2 | -179 | 63.2 | 0 | 0 | 0 | 112.2 | I132 N133 Y135 P142 A159 H163 V164 F165 | I132-L161 HydrophobicContact CG2-CD2 4.18Å; N133-L161 VanDerWaalsContact O-CB 3.29Å; N133-L161 WeakPolarHBondContact O-CB 3.28Å; N133-L161 PolarHBondContact O-N 2.94Å; Y135-L161 HydrophobicContact CD2-CD1 4.1Å; P142-L161 HydrophobicContact CB-CD1 3.97Å; A159-L161 PolarHBondContact O-N 3.35Å; L161-H163 VanDerWaalsContact C-N 3.34Å; L161-H163 PolarHBondContact O-N 2.64Å; L161-V164 PolarHBondContact O-N 3.19Å; L161-F165 WeakPolarHBondContact O-CB 3.42Å; L161-F165 PolarHBondContact O-N 3.05Å |
| 162 | T | 85.9 | Confident | 90.1 | Very high | 95 Ų | 95 | 84.6 Ų | 84.6 | 58% | 0.583 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.1 | -38.7 | 176.3 | 49 | 0 | 0 | 0 | 0 | 113.6 | P160 Q166 | P160-T162 PolarHBondContact O-N 3.44Å; P160-T162 VanDerWaalsContact O-N 3.15Å; T162-Q166 WeakPolarHBondContact O-CB 3.3Å; T162-Q166 VanDerWaalsContact O-CG 3.23Å; T162-Q166 WeakPolarHBondContact O-CG 3.42Å; T162-Q166 PolarHBondContact O-N 3.06Å |
| 163 | H | 88.8 | Confident | 90.7 | Very high | 112 Ų | 112 | 84.1 Ų | 84.1 | 52% | 0.519 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -73.8 | -42.7 | -178.9 | -177.7 | -93.2 | 0 | 0 | 0 | 111.4 | P160 L161 Q166 R167 | P160-H163 PolarHBondContact O-N 2.85Å; L161-H163 VanDerWaalsContact C-N 3.34Å; L161-H163 PolarHBondContact O-N 2.64Å; H163-Q166 PolarHBondContact O-N 2.97Å; H163-R167 WeakPolarHBondContact O-CB 3.44Å; H163-R167 PolarHBondContact O-N 3.18Å |
| 164 | V | 91.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 87.4 Ų | 87.4 | 1% | 0.012 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67 | -43.5 | 176.2 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | Y135 L137 A159 P160 L161 Q166 R167 Q168 | Y135-V164 HydrophobicContact CD1-CB 4.17Å; Y135-V164 HydrophobicContact CD1-CG1 3.71Å; Y135-V164 HydrophobicContact CD1-CG2 3.88Å; Y135-V164 HydrophobicContact CD2-CG1 4.34Å; Y135-V164 HydrophobicContact CE1-CG1 3.82Å; Y135-V164 HydrophobicContact CE2-CG1 4.47Å; Y135-V164 HydrophobicContact CG-CB 4.14Å; Y135-V164 HydrophobicContact CG-CG1 3.95Å; Y135-V164 HydrophobicContact CG-CG2 4.13Å; L137-V164 HydrophobicContact CD2-CG2 4.19Å; A159-V164 HydrophobicContact CB-CG2 3.78Å; P160-V164 PolarHBondContact O-N 3.2Å; L161-V164 PolarHBondContact O-N 3.19Å; V164-Q166 PolarHBondContact O-N 3.23Å; V164-R167 PolarHBondContact O-N 3.38Å; V164-Q168 HydrophobicContact CG1-CG 4.27Å; V164-Q168 WeakPolarHBondContact O-CB 3.4Å; V164-Q168 PolarHBondContact O-N 3.23Å |
| 165 | F | 89.9 | Confident | 91.9 | Very high | 127 Ų | 127 | 83 Ų | 83 | 56% | 0.557 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -58.1 | -45.7 | 174.1 | 171.8 | -101.2 | 0 | 0 | 0 | 112.4 | L161 K169 | L161-F165 WeakPolarHBondContact O-CB 3.42Å; L161-F165 PolarHBondContact O-N 3.05Å; F165-K169 HydrophobicContact CE1-CD 4.3Å; F165-K169 HydrophobicContact CZ-CD 4.17Å; F165-K169 WeakPolarHBondContact O-CB 3.42Å; F165-K169 PolarHBondContact O-N 2.83Å |
| 166 | Q | 92.4 | Very high | 92.3 | Very high | 131 Ų | 131 | 80.9 Ų | 80.9 | 61% | 0.612 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62 | -43.9 | 177.4 | -79.6 | 173.2 | -7 | 0 | 0 | 111.7 | T162 H163 V164 K169 S170 | T162-Q166 WeakPolarHBondContact O-CB 3.3Å; T162-Q166 VanDerWaalsContact O-CG 3.23Å; T162-Q166 WeakPolarHBondContact O-CG 3.42Å; T162-Q166 PolarHBondContact O-N 3.06Å; H163-Q166 PolarHBondContact O-N 2.97Å; V164-Q166 PolarHBondContact O-N 3.23Å; Q166-K169 PolarHBondContact O-N 2.86Å; Q166-S170 PolarHBondContact O-N 3.46Å; Q166-S170 PolarHBondContact O-OG 2.65Å |
| 167 | R | 91.9 | Very high | 92.6 | Very high | 107 Ų | 107 | 82.7 Ų | 82.7 | 40% | 0.404 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.1 | -50.6 | 178 | -179.9 | 178.5 | 68.9 | 104.5 | -4.7 | 112.8 | H163 V164 K169 S170 E171 | H163-R167 WeakPolarHBondContact O-CB 3.44Å; H163-R167 PolarHBondContact O-N 3.18Å; V164-R167 PolarHBondContact O-N 3.38Å; R167-K169 PolarHBondContact O-N 3.43Å; R167-S170 PolarHBondContact O-N 3.47Å; R167-S170 VanDerWaalsContact O-N 3.14Å; R167-S170 PolarHBondContact O-OG 2.79Å; R167-E171 WeakPolarHBondContact CD-OE1 3.43Å; R167-E171 HydrophobicContact CG-CG 4.31Å; R167-E171 WeakPolarHBondContact CG-OE1 3.24Å; R167-E171 IonicContact CZ-OE1 3.7Å; R167-E171 IonicContact NE-OE1 2.67Å; R167-E171 IonicContact NH1-OE1 3.88Å; R167-E171 PolarHBondContact NH1-OE1 2.78Å; R167-E171 IonicContact NH1-OE2 2.97Å; R167-E171 WeakPolarHBondContact O-CB 3.44Å; R167-E171 VanDerWaalsContact O-CG 3.31Å; R167-E171 WeakPolarHBondContact O-CG 3.31Å; R167-E171 PolarHBondContact O-N 3.14Å |
| 168 | Q | 92 | Very high | 93 | Very high | 74 Ų | 74 | 82.4 Ų | 82.4 | 35% | 0.346 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.3 | -34.3 | 177 | -75.4 | 175.3 | -29.8 | 0 | 0 | 111.1 | V164 L172 | V164-Q168 HydrophobicContact CG1-CG 4.27Å; V164-Q168 WeakPolarHBondContact O-CB 3.4Å; V164-Q168 PolarHBondContact O-N 3.23Å; Q168-L172 VanDerWaalsContact O-CB 3.29Å; Q168-L172 WeakPolarHBondContact O-CB 3.43Å; Q168-L172 WeakPolarHBondContact O-CD1 3.3Å; Q168-L172 VanDerWaalsContact O-CG 3.22Å; Q168-L172 WeakPolarHBondContact O-CG 3.19Å; Q168-L172 PolarHBondContact O-N 2.89Å |
| 169 | K | 94.3 | Very high | 93.3 | Very high | 135 Ų | 135 | 85.4 Ų | 85.4 | 59% | 0.587 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -67.3 | -38.2 | 173.9 | -175.1 | 175.6 | 179.2 | -179.3 | 0 | 112.8 | F165 Q166 R167 S173 | F165-K169 HydrophobicContact CE1-CD 4.3Å; F165-K169 HydrophobicContact CZ-CD 4.17Å; F165-K169 WeakPolarHBondContact O-CB 3.42Å; F165-K169 PolarHBondContact O-N 2.83Å; Q166-K169 PolarHBondContact O-N 2.86Å; R167-K169 PolarHBondContact O-N 3.43Å; K169-S173 VanDerWaalsContact O-CB 3.23Å; K169-S173 WeakPolarHBondContact O-CB 3.42Å; K169-S173 PolarHBondContact O-N 2.95Å |
| 170 | S | 95.3 | Very high | 93.8 | Very high | 53 Ų | 53 | 88.1 Ų | 88.1 | 37% | 0.371 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.4 | -47.3 | 172.3 | 48.7 | 0 | 0 | 0 | 0 | 111.5 | Q166 R167 L172 S173 D174 | Q166-S170 PolarHBondContact O-N 3.46Å; Q166-S170 PolarHBondContact O-OG 2.65Å; R167-S170 PolarHBondContact O-N 3.47Å; R167-S170 VanDerWaalsContact O-N 3.14Å; R167-S170 PolarHBondContact O-OG 2.79Å; S170-L172 VanDerWaalsContact C-N 3.28Å; S170-L172 PolarHBondContact O-N 3.44Å; S170-S173 CarbonylContact O-C 3.44Å; S170-S173 WeakPolarHBondContact O-CA 3.48Å; S170-S173 WeakPolarHBondContact O-CB 3.33Å; S170-S173 PolarHBondContact O-N 2.88Å; S170-D174 WeakPolarHBondContact O-CB 3.38Å; S170-D174 PolarHBondContact O-N 2.66Å |
| 171 | E | 95.6 | Very high | 94.2 | Very high | 91 Ų | 91 | 85.4 Ų | 85.4 | 43% | 0.425 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -55.3 | -42.5 | 177.7 | -70.2 | 163.7 | 173.8 | 0 | 0 | 111.4 | R167 G175 | R167-E171 WeakPolarHBondContact CD-OE1 3.43Å; R167-E171 HydrophobicContact CG-CG 4.31Å; R167-E171 WeakPolarHBondContact CG-OE1 3.24Å; R167-E171 IonicContact CZ-OE1 3.7Å; R167-E171 IonicContact NE-OE1 2.67Å; R167-E171 IonicContact NH1-OE1 3.88Å; R167-E171 PolarHBondContact NH1-OE1 2.78Å; R167-E171 IonicContact NH1-OE2 2.97Å; R167-E171 WeakPolarHBondContact O-CB 3.44Å; R167-E171 VanDerWaalsContact O-CG 3.31Å; R167-E171 WeakPolarHBondContact O-CG 3.31Å; R167-E171 PolarHBondContact O-N 3.14Å; E171-G175 PolarHBondContact O-N 3.17Å; E171-G175 VanDerWaalsContact O-N 3.1Å |
| 172 | L | 96 | Very high | 94.6 | Very high | 117 Ų | 117 | 85.5 Ų | 85.5 | 61% | 0.613 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -69 | -40.1 | 172.9 | -73 | 168.6 | 0 | 0 | 0 | 113.1 | Q168 S170 G175 I176 | Q168-L172 VanDerWaalsContact O-CB 3.29Å; Q168-L172 WeakPolarHBondContact O-CB 3.43Å; Q168-L172 WeakPolarHBondContact O-CD1 3.3Å; Q168-L172 VanDerWaalsContact O-CG 3.22Å; Q168-L172 WeakPolarHBondContact O-CG 3.19Å; Q168-L172 PolarHBondContact O-N 2.89Å; S170-L172 VanDerWaalsContact C-N 3.28Å; S170-L172 PolarHBondContact O-N 3.44Å; L172-G175 PolarHBondContact O-N 3.5Å; L172-I176 WeakPolarHBondContact O-CB 3.29Å; L172-I176 WeakPolarHBondContact O-CD1 3.47Å; L172-I176 WeakPolarHBondContact O-CG1 3.34Å; L172-I176 PolarHBondContact O-N 2.71Å |
| 173 | S | 96.6 | Very high | 95.2 | Very high | 69 Ų | 69 | 86.1 Ų | 86.1 | 48% | 0.483 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 178.3 | -170 | 0 | 0 | 0 | 0 | 112.1 | K169 S170 I176 A177 | K169-S173 VanDerWaalsContact O-CB 3.23Å; K169-S173 WeakPolarHBondContact O-CB 3.42Å; K169-S173 PolarHBondContact O-N 2.95Å; S170-S173 CarbonylContact O-C 3.44Å; S170-S173 WeakPolarHBondContact O-CA 3.48Å; S170-S173 WeakPolarHBondContact O-CB 3.33Å; S170-S173 PolarHBondContact O-N 2.88Å; S173-I176 PolarHBondContact O-N 2.69Å; S173-A177 WeakPolarHBondContact O-CB 3.43Å; S173-A177 PolarHBondContact O-N 3.21Å |
| 174 | D | 97.3 | Very high | 95.6 | Very high | 99 Ų | 99 | 85.9 Ų | 85.9 | 53% | 0.529 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -70.7 | -41.7 | 178.5 | -62 | -26.4 | 0 | 0 | 0 | 110.4 | S170 A177 I178 | S170-D174 WeakPolarHBondContact O-CB 3.38Å; S170-D174 PolarHBondContact O-N 2.66Å; D174-A177 PolarHBondContact O-N 3.49Å; D174-I178 WeakPolarHBondContact O-CG1 3.22Å; D174-I178 PolarHBondContact O-N 3.04Å |
| 175 | G | 97.6 | Very high | 96 | Very high | 31 Ų | 31 | 94.7 Ų | 94.7 | 32% | 0.32 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E171 L172 I178 L179 | E171-G175 PolarHBondContact O-N 3.17Å; E171-G175 VanDerWaalsContact O-N 3.1Å; L172-G175 PolarHBondContact O-N 3.5Å; G175-I178 PolarHBondContact O-N 3.14Å; G175-L179 WeakPolarHBondContact O-CG 3.49Å; G175-L179 PolarHBondContact O-N 3.28Å |
| 176 | I | 97.2 | Very high | 96.4 | Very high | 104 Ų | 104 | 92.4 Ų | 92.4 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 173.8 | -71.6 | 163.6 | 0 | 0 | 0 | 110.8 | L172 S173 I178 L179 V180 | L172-I176 WeakPolarHBondContact O-CB 3.29Å; L172-I176 WeakPolarHBondContact O-CD1 3.47Å; L172-I176 WeakPolarHBondContact O-CG1 3.34Å; L172-I176 PolarHBondContact O-N 2.71Å; S173-I176 PolarHBondContact O-N 2.69Å; I176-I178 VanDerWaalsContact C-N 3.34Å; I176-I178 PolarHBondContact O-N 3.41Å; I176-L179 PolarHBondContact O-N 2.81Å; I176-V180 HydrophobicContact CG2-CG2 4.33Å; I176-V180 WeakPolarHBondContact O-CG2 3.36Å; I176-V180 PolarHBondContact O-N 3.08Å |
| 177 | A | 97.2 | Very high | 96.6 | Very high | 62 Ų | 62 | 91.3 Ų | 91.3 | 51% | 0.512 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S173 D174 G181 | S173-A177 WeakPolarHBondContact O-CB 3.43Å; S173-A177 PolarHBondContact O-N 3.21Å; D174-A177 PolarHBondContact O-N 3.49Å; A177-G181 PolarHBondContact O-N 3.22Å |
| 178 | I | 97.4 | Very high | 97 | Very high | 127 Ų | 127 | 87.8 Ų | 87.8 | 65% | 0.651 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.7 | -43.5 | 173.8 | -67.5 | 165.5 | 0 | 0 | 0 | 111 | D174 G175 I176 G181 S182 | D174-I178 WeakPolarHBondContact O-CG1 3.22Å; D174-I178 PolarHBondContact O-N 3.04Å; G175-I178 PolarHBondContact O-N 3.14Å; I176-I178 VanDerWaalsContact C-N 3.34Å; I176-I178 PolarHBondContact O-N 3.41Å; I178-G181 PolarHBondContact O-N 3.37Å; I178-S182 WeakPolarHBondContact O-CB 3.26Å; I178-S182 PolarHBondContact O-N 3.48Å |
| 179 | L | 97.1 | Very high | 97.3 | Very high | 111 Ų | 111 | 88 Ų | 88 | 58% | 0.581 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.3 | -41.1 | 177.9 | -72.6 | 171.5 | 0 | 0 | 0 | 112.4 | G175 I176 S182 N183 | G175-L179 WeakPolarHBondContact O-CG 3.49Å; G175-L179 PolarHBondContact O-N 3.28Å; I176-L179 PolarHBondContact O-N 2.81Å; L179-S182 WeakPolarHBondContact O-CB 3.42Å; L179-S182 PolarHBondContact O-N 2.8Å; L179-S182 VanDerWaalsContact O-N 3.16Å; L179-N183 VanDerWaalsContact O-CG 3.29Å; L179-N183 PolarHBondContact O-N 3.14Å; L179-N183 PolarHBondContact O-OD1 2.76Å |
| 180 | V | 97.9 | Very high | 97.5 | Very high | 73 Ų | 73 | 84.9 Ų | 84.9 | 44% | 0.442 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.2 | -52 | 173.6 | 169.8 | 0 | 0 | 0 | 0 | 110.3 | I176 S182 N183 D184 | I176-V180 HydrophobicContact CG2-CG2 4.33Å; I176-V180 WeakPolarHBondContact O-CG2 3.36Å; I176-V180 PolarHBondContact O-N 3.08Å; V180-S182 PolarHBondContact O-N 2.88Å; V180-S182 VanDerWaalsContact O-N 3.15Å; V180-N183 WeakPolarHBondContact O-CB 3.27Å; V180-N183 PolarHBondContact O-N 2.97Å; V180-D184 VanDerWaalsContact O-CG 3.3Å; V180-D184 PolarHBondContact O-N 2.99Å |
| 181 | G | 97.8 | Very high | 97.6 | Very high | 24 Ų | 24 | 84.5 Ų | 84.5 | 25% | 0.247 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -65.9 | -15.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A177 I178 R185 | A177-G181 PolarHBondContact O-N 3.22Å; I178-G181 PolarHBondContact O-N 3.37Å; G181-R185 WeakPolarHBondContact O-CD 3.34Å; G181-R185 WeakPolarHBondContact O-CG 3.5Å |
| 182 | S | 97.4 | Very high | 97.8 | Very high | 52 Ų | 52 | 86.5 Ų | 86.5 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -81.2 | -42.3 | 169.3 | -163.4 | 0 | 0 | 0 | 0 | 111.4 | I178 L179 V180 R185 V186 | I178-S182 WeakPolarHBondContact O-CB 3.26Å; I178-S182 PolarHBondContact O-N 3.48Å; L179-S182 WeakPolarHBondContact O-CB 3.42Å; L179-S182 PolarHBondContact O-N 2.8Å; L179-S182 VanDerWaalsContact O-N 3.16Å; V180-S182 PolarHBondContact O-N 2.88Å; V180-S182 VanDerWaalsContact O-N 3.15Å; S182-R185 WeakPolarHBondContact O-CB 3.34Å; S182-R185 PolarHBondContact O-N 2.89Å; S182-V186 WeakPolarHBondContact O-CG2 3.42Å; S182-V186 PolarHBondContact O-N 2.84Å |
| 183 | N | 97.8 | Very high | 97.9 | Very high | 107 Ų | 107 | 86 Ų | 86 | 57% | 0.572 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.3 | -41.1 | 175.2 | -67.9 | -11.6 | 0 | 0 | 0 | 111.3 | L179 V180 R185 V186 Q187 | L179-N183 VanDerWaalsContact O-CG 3.29Å; L179-N183 PolarHBondContact O-N 3.14Å; L179-N183 PolarHBondContact O-OD1 2.76Å; V180-N183 WeakPolarHBondContact O-CB 3.27Å; V180-N183 PolarHBondContact O-N 2.97Å; N183-R185 VanDerWaalsContact C-N 3.26Å; N183-R185 PolarHBondContact O-N 3Å; N183-V186 PolarHBondContact O-N 3.16Å; N183-Q187 WeakPolarHBondContact O-CB 3.42Å; N183-Q187 PolarHBondContact O-N 3.33Å |
| 184 | D | 98.3 | Very high | 98 | Very high | 107 Ų | 107 | 87 Ų | 87 | 57% | 0.572 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58 | -38.2 | 175.4 | -65 | -28.8 | 0 | 0 | 0 | 111.9 | V180 G188 | V180-D184 VanDerWaalsContact O-CG 3.3Å; V180-D184 PolarHBondContact O-N 2.99Å; D184-G188 PolarHBondContact O-N 3.42Å |
| 185 | R | 98.3 | Very high | 98.1 | Very high | 187 Ų | 187 | 86.5 Ų | 86.5 | 71% | 0.706 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69.9 | -44.7 | 175.7 | -70.6 | 168.5 | -177.6 | 148.8 | 1.3 | 112.2 | G181 S182 N183 Q187 G188 V189 | G181-R185 WeakPolarHBondContact O-CD 3.34Å; G181-R185 WeakPolarHBondContact O-CG 3.5Å; S182-R185 WeakPolarHBondContact O-CB 3.34Å; S182-R185 PolarHBondContact O-N 2.89Å; N183-R185 VanDerWaalsContact C-N 3.26Å; N183-R185 PolarHBondContact O-N 3Å; R185-Q187 VanDerWaalsContact C-N 3.32Å; R185-G188 PolarHBondContact O-N 3.36Å; R185-V189 PolarHBondContact O-N 3.09Å |
| 186 | V | 98.3 | Very high | 98.1 | Very high | 80 Ų | 80 | 88.5 Ų | 88.5 | 49% | 0.485 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | S182 N183 G188 V189 I190 | S182-V186 WeakPolarHBondContact O-CG2 3.42Å; S182-V186 PolarHBondContact O-N 2.84Å; N183-V186 PolarHBondContact O-N 3.16Å; V186-G188 VanDerWaalsContact C-N 3.32Å; V186-G188 PolarHBondContact O-N 3.37Å; V186-V189 PolarHBondContact O-N 2.85Å; V186-I190 HydrophobicContact CG1-CD1 3.94Å; V186-I190 HydrophobicContact CG1-CG1 4.48Å; V186-I190 WeakPolarHBondContact O-CG1 3.36Å; V186-I190 PolarHBondContact O-N 3.45Å |
| 187 | Q | 98.4 | Very high | 98.2 | Very high | 107 Ų | 107 | 86.9 Ų | 86.9 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 174.2 | -170.8 | 61.9 | 54.6 | 0 | 0 | 112 | N183 R185 I190 S191 | N183-Q187 WeakPolarHBondContact O-CB 3.42Å; N183-Q187 PolarHBondContact O-N 3.33Å; R185-Q187 VanDerWaalsContact C-N 3.32Å; Q187-I190 PolarHBondContact O-N 3.02Å; Q187-S191 PolarHBondContact O-N 2.66Å; Q187-S191 PolarHBondContact O-OG 2.9Å |
| 188 | G | 98.6 | Very high | 98.2 | Very high | 34 Ų | 34 | 88.7 Ų | 88.7 | 35% | 0.351 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D184 R185 V186 Q192 | D184-G188 PolarHBondContact O-N 3.42Å; R185-G188 PolarHBondContact O-N 3.36Å; V186-G188 VanDerWaalsContact C-N 3.32Å; V186-G188 PolarHBondContact O-N 3.37Å; G188-Q192 WeakPolarHBondContact O-CG 3.45Å; G188-Q192 PolarHBondContact O-N 3.48Å; G188-Q192 VanDerWaalsContact O-N 3.11Å |
| 189 | V | 98.5 | Very high | 98.3 | Very high | 79 Ų | 79 | 87 Ų | 87 | 48% | 0.479 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.3 | -41.5 | 174.3 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | R185 V186 S191 Q192 L193 | R185-V189 PolarHBondContact O-N 3.09Å; V186-V189 PolarHBondContact O-N 2.85Å; V189-S191 PolarHBondContact O-N 2.97Å; V189-Q192 PolarHBondContact O-N 2.74Å; V189-L193 HydrophobicContact CG1-CD1 4.16Å; V189-L193 HydrophobicContact CG1-CG 4.49Å; V189-L193 WeakPolarHBondContact O-CG 3.49Å; V189-L193 PolarHBondContact O-N 3.33Å |
| 190 | I | 98.3 | Very high | 98.3 | Very high | 69 Ų | 69 | 86.9 Ų | 86.9 | 35% | 0.354 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -57.1 | -49.4 | 175.1 | -70.5 | 166 | 0 | 0 | 0 | 110.2 | V186 Q187 Q192 L193 E194 | V186-I190 HydrophobicContact CG1-CD1 3.94Å; V186-I190 HydrophobicContact CG1-CG1 4.48Å; V186-I190 WeakPolarHBondContact O-CG1 3.36Å; V186-I190 PolarHBondContact O-N 3.45Å; Q187-I190 PolarHBondContact O-N 3.02Å; I190-Q192 VanDerWaalsContact C-N 3.33Å; I190-Q192 PolarHBondContact O-N 3.08Å; I190-L193 PolarHBondContact O-N 3.37Å; I190-L193 VanDerWaalsContact O-N 3.13Å; I190-E194 HydrophobicContact CG2-CG 4.32Å; I190-E194 WeakPolarHBondContact O-CG 3.46Å; I190-E194 PolarHBondContact O-N 2.97Å |
| 191 | S | 98.6 | Very high | 98.3 | Very high | 44 Ų | 44 | 89.9 Ų | 89.9 | 31% | 0.308 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.8 | -31.1 | 178.8 | -65.5 | 0 | 0 | 0 | 0 | 113.7 | Q187 V189 D195 | Q187-S191 PolarHBondContact O-N 2.66Å; Q187-S191 PolarHBondContact O-OG 2.9Å; V189-S191 PolarHBondContact O-N 2.97Å; S191-D195 WeakPolarHBondContact O-CB 3.41Å; S191-D195 PolarHBondContact O-N 2.82Å |
| 192 | Q | 98.7 | Very high | 98.4 | Very high | 134 Ų | 134 | 92 Ų | 92 | 63% | 0.626 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.6 | -38.3 | 171.2 | -74.3 | 175.1 | 10.3 | 0 | 0 | 112.5 | G188 V189 I190 T196 | G188-Q192 WeakPolarHBondContact O-CG 3.45Å; G188-Q192 PolarHBondContact O-N 3.48Å; G188-Q192 VanDerWaalsContact O-N 3.11Å; V189-Q192 PolarHBondContact O-N 2.74Å; I190-Q192 VanDerWaalsContact C-N 3.33Å; I190-Q192 PolarHBondContact O-N 3.08Å; Q192-T196 WeakPolarHBondContact O-CB 3.45Å; Q192-T196 PolarHBondContact O-N 2.74Å; Q192-T196 PolarHBondContact O-OG1 3.21Å |
| 193 | L | 98.5 | Very high | 98.4 | Very high | 106 Ų | 106 | 93.2 Ų | 93.2 | 56% | 0.555 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69 | -43.4 | 174.8 | -68.5 | 171.7 | 0 | 0 | 0 | 111.1 | V189 I190 D195 T196 C197 | V189-L193 HydrophobicContact CG1-CD1 4.16Å; V189-L193 HydrophobicContact CG1-CG 4.49Å; V189-L193 WeakPolarHBondContact O-CG 3.49Å; V189-L193 PolarHBondContact O-N 3.33Å; I190-L193 PolarHBondContact O-N 3.37Å; I190-L193 VanDerWaalsContact O-N 3.13Å; L193-D195 VanDerWaalsContact C-N 3.34Å; L193-D195 PolarHBondContact O-N 3.49Å; L193-T196 WeakPolarHBondContact O-CB 3.47Å; L193-T196 PolarHBondContact O-N 3.42Å; L193-T196 VanDerWaalsContact O-N 3.14Å; L193-C197 PolarHBondContact O-N 3.37Å; L193-C197 PolarHBondContact O-SG 3.11Å; L193-C197 VanDerWaalsContact O-SG 3.36Å |
| 194 | E | 98.5 | Very high | 98.4 | Very high | 89 Ų | 89 | 90.7 Ų | 90.7 | 42% | 0.416 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.1 | -45.3 | 173.6 | -71.3 | 172.6 | 171.7 | 0 | 0 | 111.8 | I190 T196 C197 K198 | I190-E194 HydrophobicContact CG2-CG 4.32Å; I190-E194 WeakPolarHBondContact O-CG 3.46Å; I190-E194 PolarHBondContact O-N 2.97Å; E194-T196 VanDerWaalsContact C-N 3.33Å; E194-C197 PolarHBondContact O-N 3.36Å; E194-K198 WeakPolarHBondContact O-CD 3.21Å; E194-K198 WeakPolarHBondContact O-CE 3.43Å; E194-K198 VanDerWaalsContact O-CG 3.27Å; E194-K198 WeakPolarHBondContact O-CG 3.38Å; E194-K198 PolarHBondContact O-N 3.36Å; E194-K198 VanDerWaalsContact O-N 3.08Å |
| 195 | D | 98.7 | Very high | 98.4 | Very high | 89 Ų | 89 | 91.3 Ų | 91.3 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.4 | -31.6 | 176.9 | -74.9 | -14.2 | 0 | 0 | 0 | 112.4 | S191 L193 K198 T199 | S191-D195 WeakPolarHBondContact O-CB 3.41Å; S191-D195 PolarHBondContact O-N 2.82Å; L193-D195 VanDerWaalsContact C-N 3.34Å; L193-D195 PolarHBondContact O-N 3.49Å; D195-K198 PolarHBondContact O-N 3.02Å; D195-K198 IonicContact OD1-NZ 2.71Å; D195-K198 PolarHBondContact OD1-NZ 3.13Å; D195-T199 WeakPolarHBondContact O-CG2 3.48Å; D195-T199 PolarHBondContact O-N 3.33Å; D195-T199 PolarHBondContact O-OG1 2.97Å |
| 196 | T | 98.5 | Very high | 98.4 | Very high | 73 Ų | 73 | 87.7 Ų | 87.7 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.9 | -40.8 | 172.6 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | Q192 L193 E194 K198 T199 I200 | Q192-T196 WeakPolarHBondContact O-CB 3.45Å; Q192-T196 PolarHBondContact O-N 2.74Å; Q192-T196 PolarHBondContact O-OG1 3.21Å; L193-T196 WeakPolarHBondContact O-CB 3.47Å; L193-T196 PolarHBondContact O-N 3.42Å; L193-T196 VanDerWaalsContact O-N 3.14Å; E194-T196 VanDerWaalsContact C-N 3.33Å; T196-K198 PolarHBondContact O-N 3.02Å; T196-T199 PolarHBondContact O-N 3.02Å; T196-T199 PolarHBondContact O-OG1 3.37Å; T196-I200 HydrophobicContact CG2-CD1 4.02Å; T196-I200 VanDerWaalsContact O-CG1 3.31Å; T196-I200 WeakPolarHBondContact O-CG1 3.37Å; T196-I200 PolarHBondContact O-N 2.88Å |
| 197 | C | 98.5 | Very high | 98.4 | Very high | 71 Ų | 71 | 89.3 Ų | 89.3 | 48% | 0.48 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 172.2 | -66.8 | 0 | 0 | 0 | 0 | 111.3 | L193 E194 T199 I200 E201 | L193-C197 PolarHBondContact O-N 3.37Å; L193-C197 PolarHBondContact O-SG 3.11Å; L193-C197 VanDerWaalsContact O-SG 3.36Å; E194-C197 PolarHBondContact O-N 3.36Å; C197-T199 VanDerWaalsContact C-N 3.33Å; C197-T199 PolarHBondContact O-N 2.97Å; C197-I200 PolarHBondContact O-N 3.21Å; C197-E201 WeakPolarHBondContact O-CG 3.48Å; C197-E201 PolarHBondContact O-N 3.37Å |
| 198 | K | 98.5 | Very high | 98.3 | Very high | 100 Ų | 100 | 90.5 Ų | 90.5 | 44% | 0.435 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.2 | -38.6 | 177.9 | -66 | 161.4 | -145.6 | 157.7 | 0 | 112.4 | E194 D195 T196 E202 | E194-K198 WeakPolarHBondContact O-CD 3.21Å; E194-K198 WeakPolarHBondContact O-CE 3.43Å; E194-K198 VanDerWaalsContact O-CG 3.27Å; E194-K198 WeakPolarHBondContact O-CG 3.38Å; E194-K198 PolarHBondContact O-N 3.36Å; E194-K198 VanDerWaalsContact O-N 3.08Å; D195-K198 PolarHBondContact O-N 3.02Å; D195-K198 IonicContact OD1-NZ 2.71Å; D195-K198 PolarHBondContact OD1-NZ 3.13Å; T196-K198 PolarHBondContact O-N 3.02Å; K198-E202 VanDerWaalsContact O-CB 3.29Å; K198-E202 WeakPolarHBondContact O-CB 3.4Å; K198-E202 PolarHBondContact O-N 2.88Å |
| 199 | T | 98.4 | Very high | 98.3 | Very high | 91 Ų | 91 | 93.3 Ų | 93.3 | 56% | 0.558 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -72.3 | -35.4 | 177.2 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | D195 T196 C197 C203 | D195-T199 WeakPolarHBondContact O-CG2 3.48Å; D195-T199 PolarHBondContact O-N 3.33Å; D195-T199 PolarHBondContact O-OG1 2.97Å; T196-T199 PolarHBondContact O-N 3.02Å; T196-T199 PolarHBondContact O-OG1 3.37Å; C197-T199 VanDerWaalsContact C-N 3.33Å; C197-T199 PolarHBondContact O-N 2.97Å; T199-C203 WeakPolarHBondContact O-CB 3.49Å; T199-C203 PolarHBondContact O-N 3.14Å |
| 200 | I | 98.3 | Very high | 98.3 | Very high | 109 Ų | 109 | 93.6 Ų | 93.6 | 56% | 0.559 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.4 | -45.2 | 172.6 | -68 | 166.1 | 0 | 0 | 0 | 110.9 | T196 C197 C203 C204 | T196-I200 HydrophobicContact CG2-CD1 4.02Å; T196-I200 VanDerWaalsContact O-CG1 3.31Å; T196-I200 WeakPolarHBondContact O-CG1 3.37Å; T196-I200 PolarHBondContact O-N 2.88Å; C197-I200 PolarHBondContact O-N 3.21Å; I200-C203 PolarHBondContact O-N 2.95Å; I200-C204 VanDerWaalsContact O-CB 3.24Å; I200-C204 WeakPolarHBondContact O-CB 3.31Å; I200-C204 PolarHBondContact O-N 2.66Å |
| 201 | E | 98.3 | Very high | 98.2 | Very high | 135 Ų | 135 | 93.4 Ų | 93.4 | 63% | 0.631 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -58.4 | -49.1 | 175.5 | -74.5 | 173.6 | 173.3 | 0 | 0 | 111.8 | C197 C203 C204 R205 | C197-E201 WeakPolarHBondContact O-CG 3.48Å; C197-E201 PolarHBondContact O-N 3.37Å; E201-C203 VanDerWaalsContact C-N 3.35Å; E201-C203 PolarHBondContact O-N 3.43Å; E201-C204 PolarHBondContact O-N 3.49Å; E201-R205 WeakPolarHBondContact O-CB 3.12Å; E201-R205 PolarHBondContact O-N 3.31Å |
| 202 | E | 98.4 | Very high | 98.2 | Very high | 70 Ų | 70 | 94.9 Ų | 94.9 | 33% | 0.327 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.6 | -32.6 | 179.1 | 173.3 | 58.4 | -168.1 | 0 | 0 | 112.6 | K198 R205 K206 | K198-E202 VanDerWaalsContact O-CB 3.29Å; K198-E202 WeakPolarHBondContact O-CB 3.4Å; K198-E202 PolarHBondContact O-N 2.88Å; E202-R205 VanDerWaalsContact CD-NH2 3.27Å; E202-R205 IonicContact OE1-CZ 2.66Å; E202-R205 IonicContact OE1-NH2 3.58Å; E202-R205 PolarHBondContact OE1-NH2 3Å; E202-R205 IonicContact OE2-CZ 2.64Å; E202-R205 VanDerWaalsContact OE2-CZ 3.28Å; E202-R205 IonicContact OE2-NE 3.1Å; E202-R205 PolarHBondContact OE2-NE 3.18Å; E202-R205 IonicContact OE2-NH2 2.65Å; E202-R205 PolarHBondContact OE2-NH2 3.42Å; E202-K206 WeakPolarHBondContact O-CG 3.28Å; E202-K206 PolarHBondContact O-N 2.89Å; E202-K206 VanDerWaalsContact O-N 3.09Å; E202-K206 VanDerWaalsContact OE1-CE 3.3Å; E202-K206 WeakPolarHBondContact OE1-CE 3.43Å; E202-K206 IonicContact OE1-NZ 3.86Å; E202-K206 PolarHBondContact OE1-NZ 3.45Å |
| 203 | C | 98.1 | Very high | 98.2 | Very high | 77 Ų | 77 | 93.5 Ų | 93.5 | 52% | 0.52 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.9 | -47.7 | 172.2 | -168.3 | 0 | 0 | 0 | 0 | 111.3 | T199 I200 E201 R205 K206 Q207 | T199-C203 WeakPolarHBondContact O-CB 3.49Å; T199-C203 PolarHBondContact O-N 3.14Å; I200-C203 PolarHBondContact O-N 2.95Å; E201-C203 VanDerWaalsContact C-N 3.35Å; E201-C203 PolarHBondContact O-N 3.43Å; C203-R205 VanDerWaalsContact C-N 3.3Å; C203-R205 PolarHBondContact O-N 3.08Å; C203-K206 WeakPolarHBondContact O-CB 3.45Å; C203-K206 PolarHBondContact O-N 2.85Å; C203-K206 VanDerWaalsContact O-N 3.16Å; C203-Q207 PolarHBondContact O-N 2.99Å |
| 204 | C | 98.1 | Very high | 98.1 | Very high | 53 Ų | 53 | 93.6 Ų | 93.6 | 36% | 0.358 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58 | -42.1 | 174.9 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | I200 E201 Q207 K208 | I200-C204 VanDerWaalsContact O-CB 3.24Å; I200-C204 WeakPolarHBondContact O-CB 3.31Å; I200-C204 PolarHBondContact O-N 2.66Å; E201-C204 PolarHBondContact O-N 3.49Å; C204-Q207 PolarHBondContact O-N 3.34Å; C204-K208 WeakPolarHBondContact O-CB 3.35Å; C204-K208 VanDerWaalsContact O-CG 3.3Å; C204-K208 WeakPolarHBondContact O-CG 3.34Å; C204-K208 PolarHBondContact O-N 3.04Å; C204-K208 VanDerWaalsContact SG-CE 3.51Å; C204-K208 PolarHBondContact SG-NZ 3.25Å; C204-K208 VanDerWaalsContact SG-NZ 3.37Å |
| 205 | R | 98.4 | Very high | 98 | Very high | 120 Ų | 120 | 92.7 Ų | 92.7 | 45% | 0.453 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 175.5 | -168.1 | -167 | 65.2 | 68 | 2.1 | 111.7 | E201 E202 C203 Q209 | E201-R205 WeakPolarHBondContact O-CB 3.12Å; E201-R205 PolarHBondContact O-N 3.31Å; E202-R205 VanDerWaalsContact CD-NH2 3.27Å; E202-R205 IonicContact OE1-CZ 2.66Å; E202-R205 IonicContact OE1-NH2 3.58Å; E202-R205 PolarHBondContact OE1-NH2 3Å; E202-R205 IonicContact OE2-CZ 2.64Å; E202-R205 VanDerWaalsContact OE2-CZ 3.28Å; E202-R205 IonicContact OE2-NE 3.1Å; E202-R205 PolarHBondContact OE2-NE 3.18Å; E202-R205 IonicContact OE2-NH2 2.65Å; E202-R205 PolarHBondContact OE2-NH2 3.42Å; C203-R205 VanDerWaalsContact C-N 3.3Å; C203-R205 PolarHBondContact O-N 3.08Å; R205-Q209 WeakPolarHBondContact O-CB 3.21Å; R205-Q209 PolarHBondContact O-N 3.04Å |
| 206 | K | 98.1 | Very high | 98 | Very high | 112 Ų | 112 | 93.2 Ų | 93.2 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 175.2 | -78.1 | 170.4 | 166.9 | 117 | 0 | 112.2 | E202 C203 K208 Q209 E210 | E202-K206 WeakPolarHBondContact O-CG 3.28Å; E202-K206 PolarHBondContact O-N 2.89Å; E202-K206 VanDerWaalsContact O-N 3.09Å; E202-K206 VanDerWaalsContact OE1-CE 3.3Å; E202-K206 WeakPolarHBondContact OE1-CE 3.43Å; E202-K206 IonicContact OE1-NZ 3.86Å; E202-K206 PolarHBondContact OE1-NZ 3.45Å; C203-K206 WeakPolarHBondContact O-CB 3.45Å; C203-K206 PolarHBondContact O-N 2.85Å; C203-K206 VanDerWaalsContact O-N 3.16Å; K206-K208 VanDerWaalsContact C-N 3.35Å; K206-K208 PolarHBondContact O-N 3.27Å; K206-Q209 WeakPolarHBondContact O-CB 3.45Å; K206-Q209 PolarHBondContact O-N 3.19Å; K206-Q209 VanDerWaalsContact O-N 3.14Å; K206-E210 PolarHBondContact O-N 3.43Å |
| 207 | Q | 97.2 | Very high | 98 | Very high | 113 Ų | 113 | 97.5 Ų | 97.5 | 53% | 0.528 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.5 | -37.3 | -178.1 | -154.6 | 64 | 22.6 | 0 | 0 | 112.3 | C203 C204 L211 | C203-Q207 PolarHBondContact O-N 2.99Å; C204-Q207 PolarHBondContact O-N 3.34Å; Q207-L211 WeakPolarHBondContact O-CB 3.16Å; Q207-L211 PolarHBondContact O-N 2.97Å |
| 208 | K | 97.6 | Very high | 97.9 | Very high | 133 Ų | 133 | 97.5 Ų | 97.5 | 58% | 0.578 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.8 | -43.1 | 170.5 | -74.9 | 168.8 | 176.4 | 168.8 | 0 | 111.9 | C204 K206 L211 C212 | C204-K208 WeakPolarHBondContact O-CB 3.35Å; C204-K208 VanDerWaalsContact O-CG 3.3Å; C204-K208 WeakPolarHBondContact O-CG 3.34Å; C204-K208 PolarHBondContact O-N 3.04Å; C204-K208 VanDerWaalsContact SG-CE 3.51Å; C204-K208 PolarHBondContact SG-NZ 3.25Å; C204-K208 VanDerWaalsContact SG-NZ 3.37Å; K206-K208 VanDerWaalsContact C-N 3.35Å; K206-K208 PolarHBondContact O-N 3.27Å; K208-L211 PolarHBondContact O-N 3.11Å; K208-C212 PolarHBondContact O-N 3.36Å; K208-C212 VanDerWaalsContact O-N 3.08Å; K208-C212 PolarHBondContact O-SG 3.39Å; K208-C212 VanDerWaalsContact O-SG 3.33Å |
| 209 | Q | 98.4 | Very high | 97.9 | Very high | 92 Ų | 92 | 99.9 Ų | 99.9 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.4 | -48.9 | 176.9 | -174.6 | -173.7 | -31.5 | 0 | 0 | 111.5 | R205 K206 L211 C212 E213 | R205-Q209 WeakPolarHBondContact O-CB 3.21Å; R205-Q209 PolarHBondContact O-N 3.04Å; K206-Q209 WeakPolarHBondContact O-CB 3.45Å; K206-Q209 PolarHBondContact O-N 3.19Å; K206-Q209 VanDerWaalsContact O-N 3.14Å; Q209-L211 VanDerWaalsContact C-N 3.29Å; Q209-L211 PolarHBondContact O-N 3.34Å; Q209-C212 PolarHBondContact O-N 2.89Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.39Å; Q209-E213 PolarHBondContact NE2-OE1 2.81Å; Q209-E213 WeakPolarHBondContact O-CG 3.29Å; Q209-E213 PolarHBondContact O-N 3.36Å |
| 210 | E | 97.5 | Very high | 97.9 | Very high | 85 Ų | 85 | 97.4 Ų | 97.4 | 40% | 0.397 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.9 | -39 | 178 | 176.3 | 166.1 | -158.9 | 0 | 0 | 111.8 | K206 E213 K214 | K206-E210 PolarHBondContact O-N 3.43Å; E210-E213 PolarHBondContact O-N 3.35Å; E210-K214 VanDerWaalsContact CG-CE 3.44Å; E210-K214 WeakPolarHBondContact O-CG 3.31Å; E210-K214 PolarHBondContact O-N 3.23Å; E210-K214 WeakPolarHBondContact OE1-CE 3.33Å; E210-K214 IonicContact OE1-NZ 3.84Å; E210-K214 PolarHBondContact OE1-NZ 3.49Å |
| 211 | L | 96.9 | Very high | 97.8 | Very high | 66 Ų | 66 | 95.8 Ų | 95.8 | 35% | 0.346 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.2 | -47.6 | 175.5 | -174 | 67.3 | 0 | 0 | 0 | 111.7 | Q207 K208 Q209 E213 K214 F215 F326 | Q207-L211 WeakPolarHBondContact O-CB 3.16Å; Q207-L211 PolarHBondContact O-N 2.97Å; K208-L211 PolarHBondContact O-N 3.11Å; Q209-L211 VanDerWaalsContact C-N 3.29Å; Q209-L211 PolarHBondContact O-N 3.34Å; L211-E213 PolarHBondContact O-N 3.45Å; L211-K214 PolarHBondContact O-N 3.37Å; L211-F215 HydrophobicContact CD1-CD2 4.24Å; L211-F215 HydrophobicContact CD1-CE2 3.89Å; L211-F215 HydrophobicContact CG-CD2 4.23Å; L211-F215 HydrophobicContact CG-CE2 4.21Å; L211-F215 WeakPolarHBondContact O-CD2 3.43Å; L211-F215 PolarHBondContact O-N 3.08Å; L211-F326 HydrophobicContact CD1-CE1 4.05Å; L211-F326 HydrophobicContact CD1-CZ 4.42Å; L211-F326 HydrophobicContact CD2-CE1 4.02Å; L211-F326 HydrophobicContact CD2-CZ 3.72Å |
| 212 | C | 97.9 | Very high | 97.7 | Very high | 74 Ų | 74 | 93.4 Ų | 93.4 | 50% | 0.5 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57.7 | -47.6 | 174 | -66.2 | 0 | 0 | 0 | 0 | 111.1 | K208 Q209 K214 F215 D216 | K208-C212 PolarHBondContact O-N 3.36Å; K208-C212 VanDerWaalsContact O-N 3.08Å; K208-C212 PolarHBondContact O-SG 3.39Å; K208-C212 VanDerWaalsContact O-SG 3.33Å; Q209-C212 PolarHBondContact O-N 2.89Å; C212-K214 PolarHBondContact O-N 3.4Å; C212-F215 CarbonylContact O-C 3.53Å; C212-F215 PolarHBondContact O-N 2.94Å; C212-D216 PolarHBondContact O-N 3.39Å |
| 213 | E | 98.3 | Very high | 97.7 | Very high | 106 Ų | 106 | 93.9 Ų | 93.9 | 50% | 0.495 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.9 | -31.5 | 179 | -70.8 | 173.8 | -164.8 | 0 | 0 | 113 | Q209 E210 L211 Y217 | Q209-E213 WeakPolarHBondContact CG-OE1 3.39Å; Q209-E213 PolarHBondContact NE2-OE1 2.81Å; Q209-E213 WeakPolarHBondContact O-CG 3.29Å; Q209-E213 PolarHBondContact O-N 3.36Å; E210-E213 PolarHBondContact O-N 3.35Å; L211-E213 PolarHBondContact O-N 3.45Å; E213-Y217 WeakPolarHBondContact O-CB 3.16Å; E213-Y217 PolarHBondContact O-N 3.04Å |
| 214 | K | 96.8 | Very high | 97.7 | Very high | 108 Ų | 108 | 96.5 Ų | 96.5 | 47% | 0.47 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.5 | -42.9 | 171.4 | -52.3 | -46 | 176.6 | -170.6 | 0 | 112.3 | E210 L211 C212 Y217 L218 | E210-K214 VanDerWaalsContact CG-CE 3.44Å; E210-K214 WeakPolarHBondContact O-CG 3.31Å; E210-K214 PolarHBondContact O-N 3.23Å; E210-K214 WeakPolarHBondContact OE1-CE 3.33Å; E210-K214 IonicContact OE1-NZ 3.84Å; E210-K214 PolarHBondContact OE1-NZ 3.49Å; L211-K214 PolarHBondContact O-N 3.37Å; C212-K214 PolarHBondContact O-N 3.4Å; K214-Y217 PolarHBondContact O-N 3.2Å; K214-L218 PolarHBondContact O-N 3.05Å |
| 215 | F | 97.5 | Very high | 97.7 | Very high | 70 Ų | 70 | 100.6 Ų | 100.6 | 31% | 0.307 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.6 | -39.8 | -179.9 | -84.1 | -74.9 | 0 | 0 | 0 | 112 | L211 C212 Y217 L218 Y219 I324 | L211-F215 HydrophobicContact CD1-CD2 4.24Å; L211-F215 HydrophobicContact CD1-CE2 3.89Å; L211-F215 HydrophobicContact CG-CD2 4.23Å; L211-F215 HydrophobicContact CG-CE2 4.21Å; L211-F215 WeakPolarHBondContact O-CD2 3.43Å; L211-F215 PolarHBondContact O-N 3.08Å; C212-F215 CarbonylContact O-C 3.53Å; C212-F215 PolarHBondContact O-N 2.94Å; F215-Y217 VanDerWaalsContact C-N 3.28Å; F215-Y217 PolarHBondContact O-N 2.9Å; F215-L218 HydrophobicContact CD1-CD1 4.42Å; F215-L218 CarbonylContact O-C 3.57Å; F215-L218 WeakPolarHBondContact O-CB 3.31Å; F215-L218 PolarHBondContact O-N 2.91Å; F215-Y219 HydrophobicContact CB-CE2 4.18Å; F215-Y219 WeakPolarHBondContact O-CD2 3.47Å; F215-Y219 PolarHBondContact O-N 3.16Å; F215-I324 HydrophobicContact CE1-CD1 4.31Å; F215-I324 HydrophobicContact CZ-CG2 4.01Å |
| 216 | D | 98.2 | Very high | 97.7 | Very high | 100 Ų | 100 | 99.8 Ų | 99.8 | 54% | 0.535 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61 | -37 | 174.2 | -67.9 | -28.3 | 0 | 0 | 0 | 111.8 | C212 Y219 G220 | C212-D216 PolarHBondContact O-N 3.39Å; D216-Y219 PolarHBondContact O-N 3.24Å; D216-G220 PolarHBondContact O-N 3.15Å |
| 217 | Y | 98 | Very high | 97.7 | Very high | 162 Ų | 162 | 98.2 Ų | 98.2 | 64% | 0.635 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.8 | -41.5 | 171.4 | 178.2 | -110.3 | 0 | 0 | 0 | 112.7 | E213 K214 F215 G220 I221 | E213-Y217 WeakPolarHBondContact O-CB 3.16Å; E213-Y217 PolarHBondContact O-N 3.04Å; K214-Y217 PolarHBondContact O-N 3.2Å; F215-Y217 VanDerWaalsContact C-N 3.28Å; F215-Y217 PolarHBondContact O-N 2.9Å; Y217-G220 PolarHBondContact O-N 3.04Å; Y217-I221 HydrophobicContact CD1-CD1 4.17Å; Y217-I221 HydrophobicContact CE1-CD1 3.65Å; Y217-I221 HydrophobicContact CE2-CD1 4.32Å; Y217-I221 PolarHBondContact O-N 2.83Å; Y217-I221 VanDerWaalsContact O-N 3.17Å |
| 218 | L | 97.1 | Very high | 97.7 | Very high | 71 Ų | 71 | 97.4 Ų | 97.4 | 37% | 0.372 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.5 | -41.7 | 174.5 | -68.8 | 173.9 | 0 | 0 | 0 | 112.1 | K214 F215 G220 I221 L222 I324 | K214-L218 PolarHBondContact O-N 3.05Å; F215-L218 HydrophobicContact CD1-CD1 4.42Å; F215-L218 CarbonylContact O-C 3.57Å; F215-L218 WeakPolarHBondContact O-CB 3.31Å; F215-L218 PolarHBondContact O-N 2.91Å; L218-G220 VanDerWaalsContact C-N 3.3Å; L218-G220 PolarHBondContact O-N 3.3Å; L218-I221 PolarHBondContact O-N 3.24Å; L218-L222 WeakPolarHBondContact O-CG 3.41Å; L218-L222 PolarHBondContact O-N 3.25Å; L218-I324 HydrophobicContact CD1-CD1 4.12Å |
| 219 | Y | 97.6 | Very high | 97.7 | Very high | 150 Ų | 150 | 94.3 Ų | 94.3 | 59% | 0.588 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60.6 | -40.2 | 173.1 | -69.9 | -52.6 | 0 | 0 | 0 | 111.5 | F215 D216 I221 L222 E223 | F215-Y219 HydrophobicContact CB-CE2 4.18Å; F215-Y219 WeakPolarHBondContact O-CD2 3.47Å; F215-Y219 PolarHBondContact O-N 3.16Å; D216-Y219 PolarHBondContact O-N 3.24Å; Y219-I221 PolarHBondContact O-N 3.3Å; Y219-L222 PolarHBondContact O-N 2.94Å; Y219-E223 VanDerWaalsContact O-CB 3.28Å; Y219-E223 WeakPolarHBondContact O-CB 3.46Å; Y219-E223 PolarHBondContact O-N 2.95Å |
| 220 | G | 98.3 | Very high | 97.7 | Very high | 40 Ų | 40 | 93.1 Ų | 93.1 | 41% | 0.412 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -56.9 | -47.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | D216 Y217 L218 E223 E224 | D216-G220 PolarHBondContact O-N 3.15Å; Y217-G220 PolarHBondContact O-N 3.04Å; L218-G220 VanDerWaalsContact C-N 3.3Å; L218-G220 PolarHBondContact O-N 3.3Å; G220-E223 PolarHBondContact O-N 3.39Å; G220-E224 WeakPolarHBondContact O-CB 3.48Å; G220-E224 PolarHBondContact O-N 3.49Å |
| 221 | I | 97.6 | Very high | 97.7 | Very high | 74 Ų | 74 | 96 Ų | 96 | 38% | 0.379 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 176.8 | -66.2 | 166.4 | 0 | 0 | 0 | 111.4 | Y217 L218 Y219 R225 | Y217-I221 HydrophobicContact CD1-CD1 4.17Å; Y217-I221 HydrophobicContact CE1-CD1 3.65Å; Y217-I221 HydrophobicContact CE2-CD1 4.32Å; Y217-I221 PolarHBondContact O-N 2.83Å; Y217-I221 VanDerWaalsContact O-N 3.17Å; L218-I221 PolarHBondContact O-N 3.24Å; Y219-I221 PolarHBondContact O-N 3.3Å; I221-R225 VanDerWaalsContact O-CB 3.29Å; I221-R225 WeakPolarHBondContact O-CB 3.42Å; I221-R225 PolarHBondContact O-N 3.46Å |
| 222 | L | 96.7 | Very high | 97.7 | Very high | 86 Ų | 86 | 96.6 Ų | 96.6 | 45% | 0.45 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 179.5 | -70.8 | 170.4 | 0 | 0 | 0 | 111.7 | L218 Y219 K226 I321 | L218-L222 WeakPolarHBondContact O-CG 3.41Å; L218-L222 PolarHBondContact O-N 3.25Å; Y219-L222 PolarHBondContact O-N 2.94Å; L222-K226 VanDerWaalsContact O-CB 3.26Å; L222-K226 WeakPolarHBondContact O-CB 3.2Å; L222-K226 PolarHBondContact O-N 2.98Å; L222-I321 HydrophobicContact CD1-CD1 4.17Å |
| 223 | E | 98.2 | Very high | 97.7 | Very high | 79 Ų | 79 | 96 Ų | 96 | 37% | 0.369 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -73 | -40.2 | 179.1 | -173.1 | 55.1 | -143.6 | 0 | 0 | 112 | Y219 G220 K226 N227 | Y219-E223 VanDerWaalsContact O-CB 3.28Å; Y219-E223 WeakPolarHBondContact O-CB 3.46Å; Y219-E223 PolarHBondContact O-N 2.95Å; G220-E223 PolarHBondContact O-N 3.39Å; E223-K226 PolarHBondContact O-N 2.95Å; E223-K226 IonicContact OE1-NZ 2.83Å; E223-K226 PolarHBondContact OE1-NZ 2.92Å; E223-K226 IonicContact OE2-NZ 3.64Å; E223-K226 PolarHBondContact OE2-NZ 3.26Å; E223-N227 WeakPolarHBondContact O-CB 3.23Å; E223-N227 PolarHBondContact O-N 3.22Å; E223-N227 PolarHBondContact O-ND2 3.43Å; E223-N227 PolarHBondContact OE1-ND2 3.37Å |
| 224 | E | 98.3 | Very high | 97.7 | Very high | 133 Ų | 133 | 94.7 Ų | 94.7 | 62% | 0.621 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -56 | -51.6 | 169.8 | 179.6 | 173.1 | -137.7 | 0 | 0 | 110.3 | G220 K226 N227 E228 | G220-E224 WeakPolarHBondContact O-CB 3.48Å; G220-E224 PolarHBondContact O-N 3.49Å; E224-K226 VanDerWaalsContact C-N 3.34Å; E224-K226 PolarHBondContact O-N 3.44Å; E224-N227 PolarHBondContact O-N 2.96Å; E224-N227 VanDerWaalsContact O-N 3.08Å; E224-E228 PolarHBondContact O-N 3.48Å |
| 225 | R | 97.3 | Very high | 97.7 | Very high | 138 Ų | 138 | 97.6 Ų | 97.6 | 52% | 0.521 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.3 | -35.2 | -177.8 | -173.9 | 57.6 | -173.8 | 151.9 | 7.9 | 113.2 | I221 E228 M229 | I221-R225 VanDerWaalsContact O-CB 3.29Å; I221-R225 WeakPolarHBondContact O-CB 3.42Å; I221-R225 PolarHBondContact O-N 3.46Å; R225-E228 WeakPolarHBondContact CD-OE2 3.39Å; R225-E228 IonicContact CZ-OE2 2.61Å; R225-E228 IonicContact NE-OE2 3.61Å; R225-E228 IonicContact NH1-OE2 2.71Å; R225-E228 PolarHBondContact NH1-OE2 3.25Å; R225-M229 PolarHBondContact O-N 2.88Å |
| 226 | K | 97.4 | Very high | 97.6 | Very high | 103 Ų | 103 | 95.6 Ų | 95.6 | 45% | 0.448 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 170.1 | 162.2 | 167.6 | 159.8 | -88.4 | 0 | 110.9 | L222 E223 E224 M229 T230 | L222-K226 VanDerWaalsContact O-CB 3.26Å; L222-K226 WeakPolarHBondContact O-CB 3.2Å; L222-K226 PolarHBondContact O-N 2.98Å; E223-K226 PolarHBondContact O-N 2.95Å; E223-K226 IonicContact OE1-NZ 2.83Å; E223-K226 PolarHBondContact OE1-NZ 2.92Å; E223-K226 IonicContact OE2-NZ 3.64Å; E223-K226 PolarHBondContact OE2-NZ 3.26Å; E224-K226 VanDerWaalsContact C-N 3.34Å; E224-K226 PolarHBondContact O-N 3.44Å; K226-M229 PolarHBondContact O-N 2.94Å; K226-T230 WeakPolarHBondContact O-CB 3.44Å; K226-T230 PolarHBondContact O-N 3.02Å; K226-T230 PolarHBondContact O-OG1 3.22Å; K226-T230 VanDerWaalsContact O-OG1 3.05Å |
| 227 | N | 98.4 | Very high | 97.5 | Very high | 79 Ų | 79 | 95.5 Ų | 95.5 | 42% | 0.422 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.6 | -38 | -178.8 | -74.3 | -52 | 0 | 0 | 0 | 113.5 | E223 E224 M229 T230 Q231 | E223-N227 WeakPolarHBondContact O-CB 3.23Å; E223-N227 PolarHBondContact O-N 3.22Å; E223-N227 PolarHBondContact O-ND2 3.43Å; E223-N227 PolarHBondContact OE1-ND2 3.37Å; E224-N227 PolarHBondContact O-N 2.96Å; E224-N227 VanDerWaalsContact O-N 3.08Å; N227-M229 VanDerWaalsContact C-N 3.34Å; N227-M229 PolarHBondContact O-N 2.94Å; N227-T230 PolarHBondContact O-N 2.8Å; N227-Q231 WeakPolarHBondContact O-CB 3.11Å; N227-Q231 PolarHBondContact O-N 2.92Å |
| 228 | E | 97.9 | Very high | 97.4 | Very high | 96 Ų | 96 | 89.4 Ų | 89.4 | 45% | 0.449 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -54.1 | -51.1 | 169.8 | -72 | -171.5 | 127.3 | 0 | 0 | 111.3 | E224 R225 Q231 V232 | E224-E228 PolarHBondContact O-N 3.48Å; R225-E228 WeakPolarHBondContact CD-OE2 3.39Å; R225-E228 IonicContact CZ-OE2 2.61Å; R225-E228 IonicContact NE-OE2 3.61Å; R225-E228 IonicContact NH1-OE2 2.71Å; R225-E228 PolarHBondContact NH1-OE2 3.25Å; E228-Q231 WeakPolarHBondContact O-CB 3.28Å; E228-Q231 PolarHBondContact O-N 3Å; E228-V232 PolarHBondContact O-N 3.44Å; E228-V232 VanDerWaalsContact O-N 3.08Å |
| 229 | M | 97.3 | Very high | 97.3 | Very high | 68 Ų | 68 | 90 Ų | 90 | 34% | 0.335 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.2 | -39.9 | -176.9 | -174.1 | 167.2 | 59.3 | 0 | 0 | 111.9 | R225 K226 N227 Q231 V232 I233 V312 | R225-M229 PolarHBondContact O-N 2.88Å; K226-M229 PolarHBondContact O-N 2.94Å; N227-M229 VanDerWaalsContact C-N 3.34Å; N227-M229 PolarHBondContact O-N 2.94Å; M229-Q231 VanDerWaalsContact C-N 3.34Å; M229-V232 PolarHBondContact O-N 3.02Å; M229-I233 WeakPolarHBondContact O-CG1 3.28Å; M229-I233 PolarHBondContact O-N 3.07Å; M229-V312 HydrophobicContact CE-CG1 4.15Å; M229-V312 HydrophobicContact CE-CG2 3.77Å; M229-V312 HydrophobicContact SD-CG1 4.25Å; M229-V312 HydrophobicContact SD-CG2 3.54Å; M229-V312 VanDerWaalsContact SD-CG2 3.54Å |
| 230 | T | 98.1 | Very high | 97.1 | Very high | 68 Ų | 68 | 84.4 Ų | 84.4 | 42% | 0.417 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 171.7 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | K226 N227 V232 I233 T234 | K226-T230 WeakPolarHBondContact O-CB 3.44Å; K226-T230 PolarHBondContact O-N 3.02Å; K226-T230 PolarHBondContact O-OG1 3.22Å; K226-T230 VanDerWaalsContact O-OG1 3.05Å; N227-T230 PolarHBondContact O-N 2.8Å; T230-V232 VanDerWaalsContact C-N 3.34Å; T230-V232 PolarHBondContact O-N 3.11Å; T230-I233 PolarHBondContact O-N 3.03Å; T230-T234 PolarHBondContact O-N 3.5Å; T230-T234 PolarHBondContact O-OG1 2.9Å |
| 231 | Q | 98.3 | Very high | 97 | Very high | 146 Ų | 146 | 85.9 Ų | 85.9 | 68% | 0.682 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63 | -37.5 | 177.9 | -172.3 | -179.1 | 91.9 | 0 | 0 | 112.3 | N227 E228 M229 T234 R235 | N227-Q231 WeakPolarHBondContact O-CB 3.11Å; N227-Q231 PolarHBondContact O-N 2.92Å; E228-Q231 WeakPolarHBondContact O-CB 3.28Å; E228-Q231 PolarHBondContact O-N 3Å; M229-Q231 VanDerWaalsContact C-N 3.34Å; Q231-T234 PolarHBondContact O-N 2.71Å; Q231-R235 VanDerWaalsContact O-CB 3.3Å; Q231-R235 WeakPolarHBondContact O-CB 3.4Å; Q231-R235 PolarHBondContact O-N 3.05Å |
| 232 | V | 97.4 | Very high | 96.8 | Very high | 78 Ų | 78 | 89 Ų | 89 | 47% | 0.473 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 172.8 | 175.3 | 0 | 0 | 0 | 0 | 111 | E228 M229 T230 T234 R235 T236 F310 | E228-V232 PolarHBondContact O-N 3.44Å; E228-V232 VanDerWaalsContact O-N 3.08Å; M229-V232 PolarHBondContact O-N 3.02Å; T230-V232 VanDerWaalsContact C-N 3.34Å; T230-V232 PolarHBondContact O-N 3.11Å; V232-T234 PolarHBondContact O-N 3.41Å; V232-R235 PolarHBondContact O-N 2.75Å; V232-T236 PolarHBondContact O-N 3.5Å; V232-T236 PolarHBondContact O-OG1 3.04Å; V232-F310 HydrophobicContact CG1-CE1 3.97Å; V232-F310 HydrophobicContact CG1-CZ 4.39Å |
| 233 | I | 96.9 | Very high | 96.6 | Very high | 60 Ų | 60 | 87.8 Ų | 87.8 | 31% | 0.308 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 177.3 | -63.9 | 168.9 | 0 | 0 | 0 | 110.6 | M229 T230 R235 T236 Q237 M307 F310 | M229-I233 WeakPolarHBondContact O-CG1 3.28Å; M229-I233 PolarHBondContact O-N 3.07Å; T230-I233 PolarHBondContact O-N 3.03Å; I233-R235 PolarHBondContact O-N 2.84Å; I233-T236 PolarHBondContact O-N 3.22Å; I233-Q237 WeakPolarHBondContact O-CB 3.3Å; I233-Q237 PolarHBondContact O-N 2.81Å; I233-M307 HydrophobicContact CG2-CE 3.97Å; I233-M307 WeakPolarHBondContact O-CE 3.37Å; I233-F310 HydrophobicContact CD1-CB 4.19Å; I233-F310 HydrophobicContact CD1-CD1 4.41Å; I233-F310 HydrophobicContact CD1-CG 4.2Å; I233-F310 HydrophobicContact CG1-CB 4.22Å; I233-F310 HydrophobicContact CG1-CD1 3.7Å; I233-F310 HydrophobicContact CG1-CD2 3.93Å; I233-F310 HydrophobicContact CG1-CE1 3.98Å; I233-F310 HydrophobicContact CG1-CE2 4.21Å; I233-F310 HydrophobicContact CG1-CG 3.67Å; I233-F310 HydrophobicContact CG1-CZ 4.23Å; I233-F310 HydrophobicContact CG2-CD2 4.44Å |
| 234 | T | 97.7 | Very high | 96.3 | Very high | 79 Ų | 79 | 86 Ų | 86 | 49% | 0.485 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 179 | -56.1 | 0 | 0 | 0 | 0 | 112 | T230 Q231 V232 Q237 G238 | T230-T234 PolarHBondContact O-N 3.5Å; T230-T234 PolarHBondContact O-OG1 2.9Å; Q231-T234 PolarHBondContact O-N 2.71Å; V232-T234 PolarHBondContact O-N 3.41Å; T234-Q237 PolarHBondContact O-N 2.85Å; T234-G238 PolarHBondContact O-N 3.11Å |
| 235 | R | 97.6 | Very high | 96.1 | Very high | 170 Ų | 170 | 87 Ų | 87 | 64% | 0.642 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.7 | -52.8 | 175 | 179.1 | -176 | 168.3 | 121.8 | 14.5 | 111 | Q231 V232 I233 Q237 G238 E239 | Q231-R235 VanDerWaalsContact O-CB 3.3Å; Q231-R235 WeakPolarHBondContact O-CB 3.4Å; Q231-R235 PolarHBondContact O-N 3.05Å; V232-R235 PolarHBondContact O-N 2.75Å; I233-R235 PolarHBondContact O-N 2.84Å; R235-Q237 VanDerWaalsContact C-N 3.27Å; R235-Q237 PolarHBondContact O-N 3.03Å; R235-G238 WeakPolarHBondContact O-CA 3.34Å; R235-G238 PolarHBondContact O-N 2.96Å; R235-E239 HydrophobicContact CG-CG 4.45Å; R235-E239 IonicContact CZ-OE1 2.65Å; R235-E239 IonicContact NE-OE1 3.13Å; R235-E239 PolarHBondContact NE-OE1 2.97Å; R235-E239 IonicContact NE-OE2 2.92Å; R235-E239 IonicContact NH2-OE1 3.63Å; R235-E239 PolarHBondContact NH2-OE1 3.26Å; R235-E239 WeakPolarHBondContact O-CG 3.38Å; R235-E239 PolarHBondContact O-N 3.44Å |
| 236 | T | 95.7 | Very high | 95.9 | Very high | 28 Ų | 28 | 83.2 Ų | 83.2 | 17% | 0.172 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.1 | -34.1 | 179.9 | -62.2 | 0 | 0 | 0 | 0 | 112 | V232 I233 K240 M307 F310 | V232-T236 PolarHBondContact O-N 3.5Å; V232-T236 PolarHBondContact O-OG1 3.04Å; I233-T236 PolarHBondContact O-N 3.22Å; T236-K240 HydrophobicContact CG2-CD 4.24Å; T236-K240 WeakPolarHBondContact O-CB 3.17Å; T236-K240 VanDerWaalsContact O-CG 3.29Å; T236-K240 WeakPolarHBondContact O-CG 3.47Å; T236-K240 PolarHBondContact O-N 3.48Å; T236-M307 HydrophobicContact CG2-CE 4.18Å; T236-M307 HydrophobicContact CG2-SD 4.1Å; T236-F310 HydrophobicContact CG2-CE2 4.17Å; T236-F310 HydrophobicContact CG2-CZ 4.12Å |
| 237 | Q | 95.9 | Very high | 95.6 | Very high | 98 Ų | 98 | 79.1 Ų | 79.1 | 46% | 0.458 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 170.5 | -169.5 | -172.6 | 13.5 | 0 | 0 | 111.4 | I233 T234 R235 K240 L241 M307 | I233-Q237 WeakPolarHBondContact O-CB 3.3Å; I233-Q237 PolarHBondContact O-N 2.81Å; T234-Q237 PolarHBondContact O-N 2.85Å; R235-Q237 VanDerWaalsContact C-N 3.27Å; R235-Q237 PolarHBondContact O-N 3.03Å; Q237-K240 PolarHBondContact O-N 2.9Å; Q237-L241 HydrophobicContact CG-CD1 3.96Å; Q237-L241 HydrophobicContact CG-CG 4.48Å; Q237-L241 WeakPolarHBondContact O-CB 3.24Å; Q237-L241 VanDerWaalsContact O-CG 3.26Å; Q237-L241 WeakPolarHBondContact O-CG 3.44Å; Q237-L241 PolarHBondContact O-N 3.37Å; Q237-M307 HydrophobicContact CB-CE 3.93Å |
| 238 | G | 95.9 | Very high | 95.3 | Very high | 33 Ų | 33 | 80.5 Ų | 80.5 | 34% | 0.34 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.7 | -53.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T234 R235 K240 L241 E242 | T234-G238 PolarHBondContact O-N 3.11Å; R235-G238 WeakPolarHBondContact O-CA 3.34Å; R235-G238 PolarHBondContact O-N 2.96Å; G238-K240 VanDerWaalsContact C-N 3.34Å; G238-K240 PolarHBondContact O-N 3.47Å; G238-L241 PolarHBondContact O-N 2.86Å; G238-E242 WeakPolarHBondContact O-CB 3.49Å; G238-E242 PolarHBondContact O-N 2.83Å |
| 239 | E | 94.8 | Very high | 95.2 | Very high | 84 Ų | 84 | 82.1 Ų | 82.1 | 39% | 0.393 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57 | -44.4 | 178.4 | -69.5 | 168.2 | 156.2 | 0 | 0 | 111.8 | R235 E242 H243 | R235-E239 HydrophobicContact CG-CG 4.45Å; R235-E239 IonicContact CZ-OE1 2.65Å; R235-E239 IonicContact NE-OE1 3.13Å; R235-E239 PolarHBondContact NE-OE1 2.97Å; R235-E239 IonicContact NE-OE2 2.92Å; R235-E239 IonicContact NH2-OE1 3.63Å; R235-E239 PolarHBondContact NH2-OE1 3.26Å; R235-E239 WeakPolarHBondContact O-CG 3.38Å; R235-E239 PolarHBondContact O-N 3.44Å; E239-E242 PolarHBondContact O-N 3.27Å; E239-H243 PolarHBondContact O-N 2.82Å; E239-H243 VanDerWaalsContact O-N 3.12Å |
| 240 | K | 94.3 | Very high | 94.9 | Very high | 33 Ų | 33 | 84.1 Ų | 84.1 | 14% | 0.143 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -67.8 | -43.3 | 178.2 | -71.3 | -179.7 | -176.4 | -164.1 | 0 | 112.9 | T236 Q237 G238 E242 H243 V244 G303 Y304 N306 M307 | T236-K240 HydrophobicContact CG2-CD 4.24Å; T236-K240 WeakPolarHBondContact O-CB 3.17Å; T236-K240 VanDerWaalsContact O-CG 3.29Å; T236-K240 WeakPolarHBondContact O-CG 3.47Å; T236-K240 PolarHBondContact O-N 3.48Å; Q237-K240 PolarHBondContact O-N 2.9Å; G238-K240 VanDerWaalsContact C-N 3.34Å; G238-K240 PolarHBondContact O-N 3.47Å; K240-E242 VanDerWaalsContact C-N 3.33Å; K240-H243 PolarHBondContact O-N 2.82Å; K240-V244 WeakPolarHBondContact O-CG2 3.47Å; K240-V244 PolarHBondContact O-N 2.99Å; K240-V244 VanDerWaalsContact O-N 3.11Å; K240-G303 WeakPolarHBondContact CE-O 3.49Å; K240-G303 PolarHBondContact NZ-O 2.86Å; K240-Y304 HydrophobicContact CB-CD1 3.89Å; K240-Y304 HydrophobicContact CB-CE1 4.48Å; K240-Y304 HydrophobicContact CG-CD1 3.73Å; K240-Y304 HydrophobicContact CG-CE1 4.14Å; K240-Y304 HydrophobicContact CG-CG 4.35Å; K240-N306 PolarHBondContact NZ-O 3.5Å; K240-M307 HydrophobicContact CD-SD 3.84Å |
| 241 | L | 94.9 | Very high | 94.4 | Very high | 71 Ų | 71 | 83.6 Ų | 83.6 | 37% | 0.372 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67 | -34.2 | 176.9 | -72.6 | 174.6 | 0 | 0 | 0 | 112.1 | Q237 G238 R245 | Q237-L241 HydrophobicContact CG-CD1 3.96Å; Q237-L241 HydrophobicContact CG-CG 4.48Å; Q237-L241 WeakPolarHBondContact O-CB 3.24Å; Q237-L241 VanDerWaalsContact O-CG 3.26Å; Q237-L241 WeakPolarHBondContact O-CG 3.44Å; Q237-L241 PolarHBondContact O-N 3.37Å; G238-L241 PolarHBondContact O-N 2.86Å; L241-R245 VanDerWaalsContact O-CB 3.31Å; L241-R245 WeakPolarHBondContact O-CB 3.23Å; L241-R245 VanDerWaalsContact O-CD 3.29Å; L241-R245 WeakPolarHBondContact O-CD 3.22Å; L241-R245 WeakPolarHBondContact O-CG 3.49Å; L241-R245 PolarHBondContact O-N 3.1Å |
| 242 | E | 94.9 | Very high | 94.2 | Very high | 138 Ų | 138 | 79.8 Ų | 79.8 | 65% | 0.645 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.9 | -47.2 | 175.1 | -176.5 | 164.9 | -148.5 | 0 | 0 | 111.6 | G238 E239 K240 V244 R245 A246 | G238-E242 WeakPolarHBondContact O-CB 3.49Å; G238-E242 PolarHBondContact O-N 2.83Å; E239-E242 PolarHBondContact O-N 3.27Å; K240-E242 VanDerWaalsContact C-N 3.33Å; E242-V244 PolarHBondContact O-N 3.11Å; E242-R245 PolarHBondContact O-N 2.98Å; E242-A246 WeakPolarHBondContact O-CB 3.11Å; E242-A246 PolarHBondContact O-N 2.93Å |
| 243 | H | 92.2 | Very high | 94 | Very high | 61 Ų | 61 | 79.1 Ų | 79.1 | 28% | 0.282 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.5 | -48.8 | 174.5 | 178.3 | 100 | 0 | 0 | 0 | 112.1 | E239 K240 R245 A246 L247 Y304 | E239-H243 PolarHBondContact O-N 2.82Å; E239-H243 VanDerWaalsContact O-N 3.12Å; K240-H243 PolarHBondContact O-N 2.82Å; H243-R245 PolarHBondContact O-N 3.35Å; H243-A246 PolarHBondContact O-N 2.77Å; H243-L247 PolarHBondContact O-N 2.91Å; H243-Y304 HydrophobicContact CB-CD1 3.74Å; H243-Y304 HydrophobicContact CB-CE1 3.34Å; H243-Y304 AromaticContact CD2-CD1 3.71Å; H243-Y304 AromaticContact CD2-CE1 3.8Å; H243-Y304 AromaticContact CG-CD1 3.77Å; H243-Y304 AromaticContact CG-CE1 3.41Å; H243-Y304 VanDerWaalsContact CG-CE1 3.41Å; H243-Y304 AromaticContact CG-CZ 3.87Å; H243-Y304 AromaticContact ND1-CE1 3.9Å; H243-Y304 AromaticContact ND1-CZ 3.88Å |
| 244 | V | 91.7 | Very high | 93.6 | Very high | 43 Ų | 43 | 78.5 Ų | 78.5 | 26% | 0.261 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 178.9 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | K240 E242 L247 I248 V300 | K240-V244 WeakPolarHBondContact O-CG2 3.47Å; K240-V244 PolarHBondContact O-N 2.99Å; K240-V244 VanDerWaalsContact O-N 3.11Å; E242-V244 PolarHBondContact O-N 3.11Å; V244-L247 PolarHBondContact O-N 3.39Å; V244-I248 HydrophobicContact CG1-CD1 3.96Å; V244-I248 VanDerWaalsContact O-CG1 3.29Å; V244-I248 WeakPolarHBondContact O-CG1 3.29Å; V244-I248 PolarHBondContact O-N 3.2Å; V244-V300 HydrophobicContact CG2-CG1 4.43Å |
| 245 | R | 94.6 | Very high | 93.3 | Very high | 152 Ų | 152 | 80.3 Ų | 80.3 | 57% | 0.574 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65.2 | -39.8 | 174.3 | -73.4 | 164.2 | -175.1 | 149.9 | -1.5 | 112.4 | L241 E242 H243 L247 I248 K249 | L241-R245 VanDerWaalsContact O-CB 3.31Å; L241-R245 WeakPolarHBondContact O-CB 3.23Å; L241-R245 VanDerWaalsContact O-CD 3.29Å; L241-R245 WeakPolarHBondContact O-CD 3.22Å; L241-R245 WeakPolarHBondContact O-CG 3.49Å; L241-R245 PolarHBondContact O-N 3.1Å; E242-R245 PolarHBondContact O-N 2.98Å; H243-R245 PolarHBondContact O-N 3.35Å; R245-L247 VanDerWaalsContact C-N 3.34Å; R245-I248 PolarHBondContact O-N 3.31Å; R245-K249 WeakPolarHBondContact O-CB 3.35Å; R245-K249 PolarHBondContact O-N 3.23Å |
| 246 | A | 92.8 | Very high | 93.2 | Very high | 60 Ų | 60 | 77 Ų | 77 | 50% | 0.496 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E242 H243 K249 K250 | E242-A246 WeakPolarHBondContact O-CB 3.11Å; E242-A246 PolarHBondContact O-N 2.93Å; H243-A246 PolarHBondContact O-N 2.77Å; A246-K249 PolarHBondContact O-N 2.82Å; A246-K250 WeakPolarHBondContact O-CB 3.45Å; A246-K250 PolarHBondContact O-N 3.17Å |
| 247 | L | 91.4 | Very high | 93 | Very high | 16 Ų | 16 | 80.5 Ų | 80.5 | 8% | 0.084 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.8 | -45 | 174.6 | -174.8 | 59.9 | 0 | 0 | 0 | 112 | H243 V244 R245 K249 K250 Y251 E298 V300 | H243-L247 PolarHBondContact O-N 2.91Å; V244-L247 PolarHBondContact O-N 3.39Å; R245-L247 VanDerWaalsContact C-N 3.34Å; L247-K249 VanDerWaalsContact C-N 3.3Å; L247-K249 PolarHBondContact O-N 2.86Å; L247-K250 WeakPolarHBondContact O-CB 3.11Å; L247-K250 PolarHBondContact O-N 2.83Å; L247-Y251 HydrophobicContact CD1-CD2 4.06Å; L247-Y251 HydrophobicContact CD1-CE2 3.48Å; L247-Y251 VanDerWaalsContact CD1-CE2 3.48Å; L247-Y251 HydrophobicContact CD2-CE2 4.25Å; L247-Y251 HydrophobicContact CG-CD2 4.01Å; L247-Y251 HydrophobicContact CG-CE2 3.62Å; L247-Y251 WeakPolarHBondContact O-CD2 3.38Å; L247-Y251 PolarHBondContact O-N 3.33Å; L247-E298 HydrophobicContact CD1-CB 4.32Å; L247-E298 HydrophobicContact CD1-CG 4.45Å; L247-V300 HydrophobicContact CD2-CG2 3.92Å |
| 248 | I | 91.9 | Very high | 92.8 | Very high | 109 Ų | 109 | 78.1 Ų | 78.1 | 56% | 0.559 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -57 | -44.4 | 173 | -71.2 | 165.1 | 0 | 0 | 0 | 110.8 | V244 R245 Y251 S252 | V244-I248 HydrophobicContact CG1-CD1 3.96Å; V244-I248 VanDerWaalsContact O-CG1 3.29Å; V244-I248 WeakPolarHBondContact O-CG1 3.29Å; V244-I248 PolarHBondContact O-N 3.2Å; R245-I248 PolarHBondContact O-N 3.31Å; I248-Y251 PolarHBondContact O-N 3.41Å; I248-S252 PolarHBondContact O-N 2.96Å |
| 249 | K | 94.6 | Very high | 92.8 | Very high | 129 Ų | 129 | 79.1 Ų | 79.1 | 56% | 0.561 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62 | -48.6 | 176.5 | -175 | -177.2 | 173.6 | -173.8 | 0 | 111.5 | R245 A246 L247 Y251 S252 D253 | R245-K249 WeakPolarHBondContact O-CB 3.35Å; R245-K249 PolarHBondContact O-N 3.23Å; A246-K249 PolarHBondContact O-N 2.82Å; L247-K249 VanDerWaalsContact C-N 3.3Å; L247-K249 PolarHBondContact O-N 2.86Å; K249-Y251 PolarHBondContact O-N 2.9Å; K249-S252 PolarHBondContact O-N 3.37Å; K249-D253 VanDerWaalsContact CE-OD2 3.25Å; K249-D253 WeakPolarHBondContact CE-OD2 3.34Å; K249-D253 WeakPolarHBondContact O-CB 3.43Å; K249-D253 VanDerWaalsContact O-CG 3.27Å; K249-D253 PolarHBondContact O-N 2.98Å |
| 250 | K | 90.9 | Very high | 92.8 | Very high | 111 Ų | 111 | 79.5 Ų | 79.5 | 48% | 0.483 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -53.3 | -40 | 176.9 | -177.8 | 178.8 | 175.3 | -178.4 | 0 | 111.9 | A246 L247 H254 E298 | A246-K250 WeakPolarHBondContact O-CB 3.45Å; A246-K250 PolarHBondContact O-N 3.17Å; L247-K250 WeakPolarHBondContact O-CB 3.11Å; L247-K250 PolarHBondContact O-N 2.83Å; K250-H254 WeakPolarHBondContact O-CB 3.46Å; K250-H254 PolarHBondContact O-N 3.28Å; K250-H254 VanDerWaalsContact O-N 3.14Å; K250-E298 IonicContact NZ-OE1 2.66Å; K250-E298 PolarHBondContact NZ-OE1 2.82Å; K250-E298 VanDerWaalsContact NZ-OE1 3.07Å; K250-E298 IonicContact NZ-OE2 3.07Å; K250-E298 PolarHBondContact NZ-OE2 3.05Å |
| 251 | Y | 89 | Confident | 92.8 | Very high | 56 Ų | 56 | 79.4 Ų | 79.4 | 22% | 0.22 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -72 | -40.4 | 174.1 | -74.3 | -57.9 | 0 | 0 | 0 | 113.8 | L247 I248 K249 H254 L255 F295 M297 E298 | L247-Y251 HydrophobicContact CD1-CD2 4.06Å; L247-Y251 HydrophobicContact CD1-CE2 3.48Å; L247-Y251 VanDerWaalsContact CD1-CE2 3.48Å; L247-Y251 HydrophobicContact CD2-CE2 4.25Å; L247-Y251 HydrophobicContact CG-CD2 4.01Å; L247-Y251 HydrophobicContact CG-CE2 3.62Å; L247-Y251 WeakPolarHBondContact O-CD2 3.38Å; L247-Y251 PolarHBondContact O-N 3.33Å; I248-Y251 PolarHBondContact O-N 3.41Å; K249-Y251 PolarHBondContact O-N 2.9Å; Y251-H254 PolarHBondContact O-N 2.86Å; Y251-L255 WeakPolarHBondContact O-CB 3.3Å; Y251-L255 PolarHBondContact O-N 3.14Å; Y251-F295 HydrophobicContact CD1-CZ 4.48Å; Y251-M297 HydrophobicContact CE1-CG 4.43Å; Y251-M297 VanDerWaalsContact OH-C 3.3Å; Y251-M297 VanDerWaalsContact OH-CA 3.23Å; Y251-M297 WeakPolarHBondContact OH-CA 3.31Å; Y251-E298 PolarHBondContact OH-N 3.21Å; Y251-E298 PolarHBondContact OH-O 3.49Å |
| 252 | S | 93.5 | Very high | 92.7 | Very high | 67 Ų | 67 | 80 Ų | 80 | 47% | 0.469 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.3 | -47 | 176.4 | -168.7 | 0 | 0 | 0 | 0 | 111.7 | I248 K249 H254 L255 E256 | I248-S252 PolarHBondContact O-N 2.96Å; K249-S252 PolarHBondContact O-N 3.37Å; S252-H254 VanDerWaalsContact C-N 3.3Å; S252-H254 PolarHBondContact O-N 3.33Å; S252-L255 PolarHBondContact O-N 3.48Å; S252-E256 PolarHBondContact O-N 2.93Å |
| 253 | D | 92.6 | Very high | 92.7 | Very high | 64 Ų | 64 | 78.4 Ų | 78.4 | 34% | 0.342 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 176.3 | -64.4 | -4.3 | 0 | 0 | 0 | 110.3 | K249 N257 | K249-D253 VanDerWaalsContact CE-OD2 3.25Å; K249-D253 WeakPolarHBondContact CE-OD2 3.34Å; K249-D253 WeakPolarHBondContact O-CB 3.43Å; K249-D253 VanDerWaalsContact O-CG 3.27Å; K249-D253 PolarHBondContact O-N 2.98Å; D253-N257 PolarHBondContact O-N 3.36Å; D253-N257 PolarHBondContact O-ND2 2.89Å |
| 254 | H | 89.7 | Confident | 92.8 | Very high | 47 Ų | 47 | 78.3 Ų | 78.3 | 22% | 0.218 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67 | -43.2 | 175 | -168.1 | -11.3 | 0 | 0 | 0 | 112.2 | K250 Y251 S252 N257 V258 F295 | K250-H254 WeakPolarHBondContact O-CB 3.46Å; K250-H254 PolarHBondContact O-N 3.28Å; K250-H254 VanDerWaalsContact O-N 3.14Å; Y251-H254 PolarHBondContact O-N 2.86Å; S252-H254 VanDerWaalsContact C-N 3.3Å; S252-H254 PolarHBondContact O-N 3.33Å; H254-N257 PolarHBondContact O-N 3.36Å; H254-V258 WeakPolarHBondContact O-CG2 3.41Å; H254-V258 PolarHBondContact O-N 2.89Å; H254-F295 AromaticContact CD2-CD2 3.65Å; H254-F295 AromaticContact CD2-CE2 3.92Å; H254-F295 AromaticContact CE1-CD2 3.82Å; H254-F295 AromaticContact NE2-CD2 3.35Å; H254-F295 WeakPolarHBondContact NE2-CD2 3.49Å |
| 255 | L | 91.4 | Very high | 92.8 | Very high | 117 Ų | 117 | 77 Ų | 77 | 61% | 0.613 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63 | -43.7 | 179.1 | -179.7 | 62.4 | 0 | 0 | 0 | 111.7 | Y251 S252 N257 V258 S259 | Y251-L255 WeakPolarHBondContact O-CB 3.3Å; Y251-L255 PolarHBondContact O-N 3.14Å; S252-L255 PolarHBondContact O-N 3.48Å; L255-N257 PolarHBondContact O-N 3.18Å; L255-V258 PolarHBondContact O-N 2.93Å; L255-S259 PolarHBondContact O-N 3.38Å |
| 256 | E | 94.7 | Very high | 92.7 | Very high | 100 Ų | 100 | 74.3 Ų | 74.3 | 47% | 0.467 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 177 | -164.2 | -167.4 | 166.5 | 0 | 0 | 111.6 | S252 V258 S259 K260 | S252-E256 PolarHBondContact O-N 2.93Å; E256-V258 VanDerWaalsContact C-N 3.34Å; E256-V258 PolarHBondContact O-N 2.77Å; E256-S259 PolarHBondContact O-N 3Å; E256-K260 HydrophobicContact CG-CD 4.46Å; E256-K260 WeakPolarHBondContact O-CG 3.46Å; E256-K260 PolarHBondContact O-N 3.32Å; E256-K260 WeakPolarHBondContact OE1-CE 3.35Å; E256-K260 IonicContact OE1-NZ 2.72Å; E256-K260 PolarHBondContact OE1-NZ 2.87Å; E256-K260 IonicContact OE2-NZ 3.17Å |
| 257 | N | 91.8 | Very high | 92.7 | Very high | 101 Ų | 101 | 78.5 Ų | 78.5 | 54% | 0.54 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 175.4 | -77.9 | -54.8 | 0 | 0 | 0 | 112.8 | D253 H254 L255 L261 | D253-N257 PolarHBondContact O-N 3.36Å; D253-N257 PolarHBondContact O-ND2 2.89Å; H254-N257 PolarHBondContact O-N 3.36Å; L255-N257 PolarHBondContact O-N 3.18Å; N257-L261 WeakPolarHBondContact O-CB 3.07Å; N257-L261 PolarHBondContact O-N 3.06Å |
| 258 | V | 92.1 | Very high | 92.8 | Very high | 48 Ų | 48 | 79.5 Ų | 79.5 | 29% | 0.291 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -71.5 | -40.4 | 173.8 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | H254 L255 E256 L261 V262 | H254-V258 WeakPolarHBondContact O-CG2 3.41Å; H254-V258 PolarHBondContact O-N 2.89Å; L255-V258 PolarHBondContact O-N 2.93Å; E256-V258 VanDerWaalsContact C-N 3.34Å; E256-V258 PolarHBondContact O-N 2.77Å; V258-L261 PolarHBondContact O-N 2.74Å; V258-V262 HydrophobicContact CG1-CG2 4.48Å; V258-V262 WeakPolarHBondContact O-CG2 3.47Å; V258-V262 PolarHBondContact O-N 3.42Å |
| 259 | S | 94.8 | Very high | 92.7 | Very high | 55 Ų | 55 | 81 Ų | 81 | 39% | 0.385 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.1 | -51.8 | 174.9 | -163.7 | 0 | 0 | 0 | 0 | 111.1 | L255 E256 L261 V262 E263 | L255-S259 PolarHBondContact O-N 3.38Å; E256-S259 PolarHBondContact O-N 3Å; S259-L261 PolarHBondContact O-N 2.91Å; S259-V262 CarbonylContact O-C 3.47Å; S259-V262 WeakPolarHBondContact O-CA 3.23Å; S259-V262 WeakPolarHBondContact O-CB 3.49Å; S259-V262 PolarHBondContact O-N 3.47Å; S259-E263 WeakPolarHBondContact CB-OE1 3.44Å; S259-E263 WeakPolarHBondContact O-CG 3.41Å; S259-E263 PolarHBondContact O-N 3.44Å; S259-E263 PolarHBondContact OG-OE1 2.82Å |
| 260 | K | 95 | Very high | 92.6 | Very high | 92 Ų | 92 | 81 Ų | 81 | 40% | 0.4 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.6 | -34.9 | 176.5 | -71.4 | 168.3 | -177 | 166.9 | 0 | 113 | E256 S264 | E256-K260 HydrophobicContact CG-CD 4.46Å; E256-K260 WeakPolarHBondContact O-CG 3.46Å; E256-K260 PolarHBondContact O-N 3.32Å; E256-K260 WeakPolarHBondContact OE1-CE 3.35Å; E256-K260 IonicContact OE1-NZ 2.72Å; E256-K260 PolarHBondContact OE1-NZ 2.87Å; E256-K260 IonicContact OE2-NZ 3.17Å; K260-S264 VanDerWaalsContact O-CB 3.26Å; K260-S264 WeakPolarHBondContact O-CB 3.15Å; K260-S264 PolarHBondContact O-N 3.45Å; K260-S264 PolarHBondContact O-OG 2.89Å |
| 261 | L | 93.8 | Very high | 92.7 | Very high | 31 Ų | 31 | 79 Ų | 79 | 16% | 0.162 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -73.1 | -34.2 | 176.3 | -176 | 61.1 | 0 | 0 | 0 | 112.4 | N257 V258 S259 G265 L284 K287 I288 A291 | N257-L261 WeakPolarHBondContact O-CB 3.07Å; N257-L261 PolarHBondContact O-N 3.06Å; V258-L261 PolarHBondContact O-N 2.74Å; S259-L261 PolarHBondContact O-N 2.91Å; L261-G265 PolarHBondContact O-N 3.4Å; L261-L284 HydrophobicContact CD1-CD1 3.93Å; L261-K287 HydrophobicContact CD1-CB 4.05Å; L261-K287 HydrophobicContact CD2-CB 4.46Å; L261-I288 HydrophobicContact CD1-CG1 4.25Å; L261-I288 HydrophobicContact CD2-CG1 4.09Å; L261-I288 HydrophobicContact CG-CG1 4Å; L261-A291 HydrophobicContact CD2-CB 3.6Å |
| 262 | V | 93.9 | Very high | 92.8 | Very high | 83 Ų | 83 | 82.2 Ų | 82.2 | 50% | 0.503 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -70.3 | -44.8 | 172.1 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | V258 S259 G265 I266 | V258-V262 HydrophobicContact CG1-CG2 4.48Å; V258-V262 WeakPolarHBondContact O-CG2 3.47Å; V258-V262 PolarHBondContact O-N 3.42Å; S259-V262 CarbonylContact O-C 3.47Å; S259-V262 WeakPolarHBondContact O-CA 3.23Å; S259-V262 WeakPolarHBondContact O-CB 3.49Å; S259-V262 PolarHBondContact O-N 3.47Å; V262-G265 CarbonylContact O-C 3.55Å; V262-G265 VanDerWaalsContact O-CA 3.32Å; V262-G265 WeakPolarHBondContact O-CA 3.46Å; V262-G265 PolarHBondContact O-N 3.4Å; V262-I266 HydrophobicContact CG1-CD1 3.98Å; V262-I266 WeakPolarHBondContact O-CG1 3.25Å; V262-I266 PolarHBondContact O-N 2.76Å |
| 263 | E | 95.1 | Very high | 92.8 | Very high | 104 Ų | 104 | 83.8 Ų | 83.8 | 49% | 0.486 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 173.9 | -69.9 | 155.7 | -134.5 | 0 | 0 | 111.2 | S259 G265 I266 Q267 | S259-E263 WeakPolarHBondContact CB-OE1 3.44Å; S259-E263 WeakPolarHBondContact O-CG 3.41Å; S259-E263 PolarHBondContact O-N 3.44Å; S259-E263 PolarHBondContact OG-OE1 2.82Å; E263-G265 VanDerWaalsContact C-N 3.25Å; E263-G265 PolarHBondContact O-N 3.01Å; E263-I266 PolarHBondContact O-N 3.19Å; E263-Q267 WeakPolarHBondContact O-CB 3.19Å; E263-Q267 PolarHBondContact O-N 3.4Å |
| 264 | S | 93.1 | Very high | 92.6 | Very high | 59 Ų | 59 | 86.7 Ų | 86.7 | 41% | 0.413 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.3 | -36.1 | 171.8 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | K260 F268 | K260-S264 VanDerWaalsContact O-CB 3.26Å; K260-S264 WeakPolarHBondContact O-CB 3.15Å; K260-S264 PolarHBondContact O-N 3.45Å; K260-S264 PolarHBondContact O-OG 2.89Å; S264-F268 WeakPolarHBondContact O-CB 3.47Å; S264-F268 PolarHBondContact O-N 2.97Å |
| 265 | G | 92.7 | Very high | 92.6 | Very high | 17 Ų | 17 | 86.9 Ų | 86.9 | 18% | 0.175 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L261 V262 E263 M269 | L261-G265 PolarHBondContact O-N 3.4Å; V262-G265 CarbonylContact O-C 3.55Å; V262-G265 VanDerWaalsContact O-CA 3.32Å; V262-G265 WeakPolarHBondContact O-CA 3.46Å; V262-G265 PolarHBondContact O-N 3.4Å; E263-G265 VanDerWaalsContact C-N 3.25Å; E263-G265 PolarHBondContact O-N 3.01Å; G265-M269 WeakPolarHBondContact O-CG 3.41Å; G265-M269 PolarHBondContact O-N 2.89Å |
| 266 | I | 93.1 | Very high | 92.5 | Very high | 95 Ų | 95 | 83.8 Ų | 83.8 | 49% | 0.487 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.2 | -51.2 | 178.1 | -66.7 | 162.6 | 0 | 0 | 0 | 110 | V262 E263 F268 M269 | V262-I266 HydrophobicContact CG1-CD1 3.98Å; V262-I266 WeakPolarHBondContact O-CG1 3.25Å; V262-I266 PolarHBondContact O-N 2.76Å; E263-I266 PolarHBondContact O-N 3.19Å; I266-F268 PolarHBondContact O-N 2.95Å; I266-M269 WeakPolarHBondContact O-CB 3.36Å; I266-M269 PolarHBondContact O-N 3.12Å |
| 267 | Q | 92.1 | Very high | 92.4 | Very high | 148 Ų | 148 | 82 Ų | 82 | 69% | 0.692 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.5 | -31.7 | 179.6 | -171.7 | 177.6 | 23.6 | 0 | 0 | 112.3 | E263 M269 D270 | E263-Q267 WeakPolarHBondContact O-CB 3.19Å; E263-Q267 PolarHBondContact O-N 3.4Å; Q267-M269 VanDerWaalsContact C-N 3.28Å; Q267-M269 PolarHBondContact O-N 2.76Å; Q267-D270 PolarHBondContact O-N 3.36Å |
| 268 | F | 92.8 | Very high | 92.4 | Very high | 36 Ų | 36 | 82.6 Ų | 82.6 | 16% | 0.158 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -71.3 | -18.6 | 175.1 | -175.9 | -103.1 | 0 | 0 | 0 | 114 | S264 I266 D270 E271 F277 N280 A281 L284 | S264-F268 WeakPolarHBondContact O-CB 3.47Å; S264-F268 PolarHBondContact O-N 2.97Å; I266-F268 PolarHBondContact O-N 2.95Å; F268-D270 VanDerWaalsContact C-N 3.28Å; F268-E271 WeakPolarHBondContact O-CB 3.44Å; F268-F277 AromaticContact CD1-CD2 3.95Å; F268-F277 HydrophobicContact CD1-CD2 3.95Å; F268-F277 AromaticContact CD1-CE2 3.68Å; F268-F277 HydrophobicContact CD1-CE2 3.68Å; F268-F277 AromaticContact CE1-CD2 3.41Å; F268-F277 HydrophobicContact CE1-CD2 3.41Å; F268-F277 VanDerWaalsContact CE1-CD2 3.41Å; F268-F277 AromaticContact CE1-CE2 3.36Å; F268-F277 HydrophobicContact CE1-CE2 3.36Å; F268-F277 HydrophobicContact CE1-CG 4.19Å; F268-F277 HydrophobicContact CE1-CZ 4.08Å; F268-F277 HydrophobicContact CE2-CD2 4.35Å; F268-F277 HydrophobicContact CZ-CB 4.47Å; F268-F277 AromaticContact CZ-CD2 3.65Å; F268-F277 HydrophobicContact CZ-CD2 3.65Å; F268-F277 HydrophobicContact CZ-CE2 4.1Å; F268-F277 HydrophobicContact CZ-CG 4.14Å; F268-F277 WeakPolarHBondContact CZ-O 3.48Å; F268-F277 WeakPolarHBondContact O-CD2 3.4Å; F268-N280 HydrophobicContact CE2-CB 3.61Å; F268-N280 HydrophobicContact CZ-CB 3.75Å; F268-A281 HydrophobicContact CE1-CB 3.84Å; F268-A281 HydrophobicContact CZ-CB 4.1Å; F268-L284 HydrophobicContact CB-CD2 3.63Å; F268-L284 HydrophobicContact CD1-CD2 3.35Å; F268-L284 HydrophobicContact CD2-CD2 4.31Å; F268-L284 HydrophobicContact CE1-CD2 4.06Å; F268-L284 HydrophobicContact CG-CD2 3.48Å; F268-L284 VanDerWaalsContact CG-CD2 3.48Å |
| 269 | M | 89.5 | Confident | 92.3 | Very high | 140 Ų | 140 | 87 Ų | 87 | 69% | 0.69 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -74.6 | -20.2 | 172.2 | -54.8 | -158.9 | -53.8 | 0 | 0 | 112.9 | G265 I266 Q267 E271 | G265-M269 WeakPolarHBondContact O-CG 3.41Å; G265-M269 PolarHBondContact O-N 2.89Å; I266-M269 WeakPolarHBondContact O-CB 3.36Å; I266-M269 PolarHBondContact O-N 3.12Å; Q267-M269 VanDerWaalsContact C-N 3.28Å; Q267-M269 PolarHBondContact O-N 2.76Å; M269-E271 VanDerWaalsContact C-N 3.3Å |
| 270 | D | 92.9 | Very high | 92.1 | Very high | 129 Ų | 129 | 88.1 Ų | 88.1 | 69% | 0.69 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -86.1 | 3.6 | 177.8 | -63.1 | -41.3 | 0 | 0 | 0 | 113 | Q267 F268 P272 | Q267-D270 PolarHBondContact O-N 3.36Å; F268-D270 VanDerWaalsContact C-N 3.28Å; D270-P272 VanDerWaalsContact O-CD 3.26Å; D270-P272 WeakPolarHBondContact O-CD 3.29Å |
| 271 | E | 92.8 | Very high | 91.9 | Very high | 69 Ų | 69 | 84.4 Ų | 84.4 | 32% | 0.322 | 45% | 0.451 | S | S | . | . | trans | -63.9 | 113 | 179.6 | 174.7 | 58.7 | -109 | 0 | 0 | 111.5 | F268 M269 E273 V276 F277 | F268-E271 WeakPolarHBondContact O-CB 3.44Å; M269-E271 VanDerWaalsContact C-N 3.3Å; E271-E273 PolarHBondContact O-N 2.9Å; E271-E273 PolarHBondContact OE1-N 3.16Å; E271-E273 VanDerWaalsContact OE1-N 3.14Å; E271-V276 HydrophobicContact CG-CG1 4.35Å; E271-F277 HydrophobicContact CB-CD2 4.3Å; E271-F277 HydrophobicContact CG-CB 4.03Å | ||
| 272 | P | 91.1 | Very high | 91.8 | Very high | 124 Ų | 124 | 91 Ų | 91 | 81% | 0.805 | 48% | 0.478 | S | S | * | . | trans | -75.8 | -22.5 | -175.2 | 30.8 | -37.1 | 0 | 0 | 0 | 113.9 | D270 M274 | D270-P272 VanDerWaalsContact O-CD 3.26Å; D270-P272 WeakPolarHBondContact O-CD 3.29Å; P272-M274 PolarHBondContact O-N 3.04Å | ||
| 273 | E | 93.6 | Very high | 91.7 | Very high | 100 Ų | 100 | 90.7 Ų | 90.7 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | trans | -93.1 | 100.6 | -177.3 | 179.9 | 48.1 | -102.5 | 0 | 0 | 111.4 | E271 A275 V276 F277 | E271-E273 PolarHBondContact O-N 2.9Å; E271-E273 PolarHBondContact OE1-N 3.16Å; E271-E273 VanDerWaalsContact OE1-N 3.14Å; E273-A275 HydrophobicContact CG-CB 4.38Å; E273-A275 PolarHBondContact O-N 3.08Å; E273-A275 VanDerWaalsContact O-N 3.08Å; E273-A275 WeakPolarHBondContact OE1-CB 3.4Å; E273-A275 PolarHBondContact OE1-N 3.05Å; E273-V276 HydrophobicContact CB-CB 4.12Å; E273-V276 HydrophobicContact CB-CG2 4.1Å; E273-V276 HydrophobicContact CG-CB 4.05Å; E273-V276 HydrophobicContact CG-CG2 3.66Å; E273-V276 WeakPolarHBondContact O-CA 3.49Å; E273-V276 PolarHBondContact O-N 2.93Å; E273-F277 PolarHBondContact O-N 3.22Å | ||
| 274 | M | 89.9 | Confident | 91.5 | Very high | 126 Ų | 126 | 87 Ų | 87 | 62% | 0.621 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -51 | -34.8 | -179.4 | -168.9 | 65.7 | 60.7 | 0 | 0 | 113.3 | P272 L278 | P272-M274 PolarHBondContact O-N 3.04Å; M274-L278 HydrophobicContact CG-CD1 4.25Å; M274-L278 WeakPolarHBondContact O-CB 3.32Å; M274-L278 WeakPolarHBondContact O-CG 3.32Å; M274-L278 PolarHBondContact O-N 3.43Å |
| 275 | A | 89.6 | Confident | 91.4 | Very high | 51 Ų | 51 | 89.7 Ų | 89.7 | 42% | 0.421 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.2 | -34.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E273 Q279 | E273-A275 HydrophobicContact CG-CB 4.38Å; E273-A275 PolarHBondContact O-N 3.08Å; E273-A275 VanDerWaalsContact O-N 3.08Å; E273-A275 WeakPolarHBondContact OE1-CB 3.4Å; E273-A275 PolarHBondContact OE1-N 3.05Å; A275-Q279 VanDerWaalsContact O-CG 3.26Å; A275-Q279 WeakPolarHBondContact O-CG 3.47Å; A275-Q279 PolarHBondContact O-N 3.34Å; A275-Q279 PolarHBondContact O-NE2 3.4Å |
| 276 | V | 89.4 | Confident | 91.4 | Very high | 51 Ų | 51 | 94.2 Ų | 94.2 | 31% | 0.309 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -75.6 | -41.1 | 176.8 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | E271 E273 Q279 N280 | E271-V276 HydrophobicContact CG-CG1 4.35Å; E273-V276 HydrophobicContact CB-CB 4.12Å; E273-V276 HydrophobicContact CB-CG2 4.1Å; E273-V276 HydrophobicContact CG-CB 4.05Å; E273-V276 HydrophobicContact CG-CG2 3.66Å; E273-V276 WeakPolarHBondContact O-CA 3.49Å; E273-V276 PolarHBondContact O-N 2.93Å; V276-Q279 PolarHBondContact O-N 3.16Å; V276-N280 PolarHBondContact O-N 3.5Å; V276-N280 VanDerWaalsContact O-N 3.13Å; V276-N280 PolarHBondContact O-ND2 3.48Å |
| 277 | F | 92.6 | Very high | 91.3 | Very high | 64 Ų | 64 | 95.2 Ų | 95.2 | 28% | 0.281 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -55.7 | -54.1 | 172.1 | -177.7 | -92.8 | 0 | 0 | 0 | 111.3 | F268 E271 E273 Q279 N280 A281 | F268-F277 AromaticContact CD1-CD2 3.95Å; F268-F277 HydrophobicContact CD1-CD2 3.95Å; F268-F277 AromaticContact CD1-CE2 3.68Å; F268-F277 HydrophobicContact CD1-CE2 3.68Å; F268-F277 AromaticContact CE1-CD2 3.41Å; F268-F277 HydrophobicContact CE1-CD2 3.41Å; F268-F277 VanDerWaalsContact CE1-CD2 3.41Å; F268-F277 AromaticContact CE1-CE2 3.36Å; F268-F277 HydrophobicContact CE1-CE2 3.36Å; F268-F277 HydrophobicContact CE1-CG 4.19Å; F268-F277 HydrophobicContact CE1-CZ 4.08Å; F268-F277 HydrophobicContact CE2-CD2 4.35Å; F268-F277 HydrophobicContact CZ-CB 4.47Å; F268-F277 AromaticContact CZ-CD2 3.65Å; F268-F277 HydrophobicContact CZ-CD2 3.65Å; F268-F277 HydrophobicContact CZ-CE2 4.1Å; F268-F277 HydrophobicContact CZ-CG 4.14Å; F268-F277 WeakPolarHBondContact CZ-O 3.48Å; F268-F277 WeakPolarHBondContact O-CD2 3.4Å; E271-F277 HydrophobicContact CB-CD2 4.3Å; E271-F277 HydrophobicContact CG-CB 4.03Å; E273-F277 PolarHBondContact O-N 3.22Å; F277-Q279 VanDerWaalsContact C-N 3.27Å; F277-Q279 PolarHBondContact O-N 3.33Å; F277-N280 PolarHBondContact O-N 3.03Å; F277-A281 HydrophobicContact CE1-CB 4.35Å; F277-A281 VanDerWaalsContact O-CB 3.26Å; F277-A281 WeakPolarHBondContact O-CB 3.48Å; F277-A281 PolarHBondContact O-N 3.44Å |
| 278 | L | 90.9 | Very high | 91.2 | Very high | 112 Ų | 112 | 91.6 Ų | 91.6 | 59% | 0.586 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.9 | -24.5 | -177.3 | -70.2 | 174.1 | 0 | 0 | 0 | 114.2 | M274 | M274-L278 HydrophobicContact CG-CD1 4.25Å; M274-L278 WeakPolarHBondContact O-CB 3.32Å; M274-L278 WeakPolarHBondContact O-CG 3.32Å; M274-L278 PolarHBondContact O-N 3.43Å |
| 279 | Q | 89.6 | Confident | 91.1 | Very high | 142 Ų | 142 | 92.4 Ų | 92.4 | 66% | 0.664 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -71.1 | -44.7 | 171.9 | -78.2 | 170.4 | 63.3 | 0 | 0 | 112 | A275 V276 F277 | A275-Q279 VanDerWaalsContact O-CG 3.26Å; A275-Q279 WeakPolarHBondContact O-CG 3.47Å; A275-Q279 PolarHBondContact O-N 3.34Å; A275-Q279 PolarHBondContact O-NE2 3.4Å; V276-Q279 PolarHBondContact O-N 3.16Å; F277-Q279 VanDerWaalsContact C-N 3.27Å; F277-Q279 PolarHBondContact O-N 3.33Å |
| 280 | N | 90.4 | Very high | 91.1 | Very high | 78 Ų | 78 | 90.3 Ų | 90.3 | 42% | 0.417 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -90.2 | -24.5 | -171.1 | -71 | -46.5 | 0 | 0 | 0 | 114.3 | F268 V276 F277 K282 T283 L284 | F268-N280 HydrophobicContact CE2-CB 3.61Å; F268-N280 HydrophobicContact CZ-CB 3.75Å; V276-N280 PolarHBondContact O-N 3.5Å; V276-N280 VanDerWaalsContact O-N 3.13Å; V276-N280 PolarHBondContact O-ND2 3.48Å; F277-N280 PolarHBondContact O-N 3.03Å; N280-K282 VanDerWaalsContact C-N 3.3Å; N280-K282 PolarHBondContact O-N 2.95Å; N280-T283 WeakPolarHBondContact O-CB 3.27Å; N280-T283 PolarHBondContact O-N 2.96Å; N280-L284 PolarHBondContact O-N 3.11Å |
| 281 | A | 91.6 | Very high | 90.8 | Very high | 14 Ų | 14 | 85.5 Ų | 85.5 | 12% | 0.116 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -56.6 | -38.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F268 F277 T283 L284 L285 | F268-A281 HydrophobicContact CE1-CB 3.84Å; F268-A281 HydrophobicContact CZ-CB 4.1Å; F277-A281 HydrophobicContact CE1-CB 4.35Å; F277-A281 VanDerWaalsContact O-CB 3.26Å; F277-A281 WeakPolarHBondContact O-CB 3.48Å; F277-A281 PolarHBondContact O-N 3.44Å; A281-T283 VanDerWaalsContact C-N 3.35Å; A281-T283 PolarHBondContact O-N 3.15Å; A281-L284 PolarHBondContact O-N 3.25Å; A281-L285 WeakPolarHBondContact O-CB 3.45Å; A281-L285 VanDerWaalsContact O-CG 3.26Å; A281-L285 WeakPolarHBondContact O-CG 3.29Å; A281-L285 PolarHBondContact O-N 3.31Å |
| 282 | K | 91.1 | Very high | 90.4 | Very high | 170 Ų | 170 | 86.1 Ų | 86.1 | 74% | 0.739 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -61.2 | -43.4 | 177.9 | -68.8 | -177.6 | 179.2 | 177.4 | 0 | 112 | N280 L284 Q286 | N280-K282 VanDerWaalsContact C-N 3.3Å; N280-K282 PolarHBondContact O-N 2.95Å; K282-L284 VanDerWaalsContact C-N 3.33Å; K282-L284 PolarHBondContact O-N 3.45Å; K282-Q286 WeakPolarHBondContact O-CB 3.29Å; K282-Q286 PolarHBondContact O-N 3.37Å |
| 283 | T | 91.9 | Very high | 89.9 | Confident | 75 Ų | 75 | 87.3 Ų | 87.3 | 46% | 0.46 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.2 | -36.6 | 179.9 | -45.5 | 0 | 0 | 0 | 0 | 111.7 | N280 A281 K287 | N280-T283 WeakPolarHBondContact O-CB 3.27Å; N280-T283 PolarHBondContact O-N 2.96Å; A281-T283 VanDerWaalsContact C-N 3.35Å; A281-T283 PolarHBondContact O-N 3.15Å; T283-K287 WeakPolarHBondContact O-CG 3.32Å; T283-K287 PolarHBondContact O-N 2.93Å |
| 284 | L | 91.7 | Very high | 88.9 | Confident | 27 Ų | 27 | 85.7 Ų | 85.7 | 14% | 0.141 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -73.7 | -44.7 | 177.3 | -174.6 | 58.7 | 0 | 0 | 0 | 112.2 | L261 F268 N280 A281 K282 Q286 K287 I288 | L261-L284 HydrophobicContact CD1-CD1 3.93Å; F268-L284 HydrophobicContact CB-CD2 3.63Å; F268-L284 HydrophobicContact CD1-CD2 3.35Å; F268-L284 HydrophobicContact CD2-CD2 4.31Å; F268-L284 HydrophobicContact CE1-CD2 4.06Å; F268-L284 HydrophobicContact CG-CD2 3.48Å; F268-L284 VanDerWaalsContact CG-CD2 3.48Å; N280-L284 PolarHBondContact O-N 3.11Å; A281-L284 PolarHBondContact O-N 3.25Å; K282-L284 VanDerWaalsContact C-N 3.33Å; K282-L284 PolarHBondContact O-N 3.45Å; L284-Q286 VanDerWaalsContact C-N 3.27Å; L284-Q286 PolarHBondContact O-N 3.05Å; L284-K287 PolarHBondContact O-N 3.05Å; L284-I288 HydrophobicContact CD1-CD1 4.45Å; L284-I288 HydrophobicContact CG-CD1 4.13Å; L284-I288 WeakPolarHBondContact O-CG1 3.34Å; L284-I288 PolarHBondContact O-N 3.27Å |
| 285 | L | 90.6 | Very high | 87.7 | Confident | 116 Ų | 116 | 84.6 Ų | 84.6 | 61% | 0.607 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.4 | -36.6 | 173.9 | -71.8 | 168.5 | 0 | 0 | 0 | 112 | A281 S289 | A281-L285 WeakPolarHBondContact O-CB 3.45Å; A281-L285 VanDerWaalsContact O-CG 3.26Å; A281-L285 WeakPolarHBondContact O-CG 3.29Å; A281-L285 PolarHBondContact O-N 3.31Å; L285-S289 VanDerWaalsContact O-CB 3.31Å; L285-S289 WeakPolarHBondContact O-CB 3.38Å; L285-S289 PolarHBondContact O-N 3.18Å |
| 286 | Q | 92 | Very high | 86.5 | Confident | 112 Ų | 112 | 90.5 Ų | 90.5 | 52% | 0.523 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.3 | -51.9 | 172.2 | 177.4 | 170.4 | -9.1 | 0 | 0 | 111.4 | K282 L284 I288 S289 E290 | K282-Q286 WeakPolarHBondContact O-CB 3.29Å; K282-Q286 PolarHBondContact O-N 3.37Å; L284-Q286 VanDerWaalsContact C-N 3.27Å; L284-Q286 PolarHBondContact O-N 3.05Å; Q286-I288 VanDerWaalsContact C-N 3.31Å; Q286-I288 PolarHBondContact O-N 3.46Å; Q286-S289 CarbonylContact O-C 3.59Å; Q286-S289 WeakPolarHBondContact O-CA 3.38Å; Q286-S289 WeakPolarHBondContact O-CB 3.31Å; Q286-S289 PolarHBondContact O-N 3.28Å; Q286-E290 HydrophobicContact CG-CG 4.38Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.31Å; Q286-E290 PolarHBondContact NE2-OE1 3.22Å; Q286-E290 WeakPolarHBondContact O-CG 3.18Å; Q286-E290 PolarHBondContact O-N 3.16Å |
| 287 | K | 91.6 | Very high | 85.3 | Confident | 115 Ų | 115 | 94.4 Ų | 94.4 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.5 | -42 | 177.2 | -72.4 | 174.8 | 179.1 | -177.1 | 0 | 112.8 | L261 T283 L284 S289 E290 A291 | L261-K287 HydrophobicContact CD1-CB 4.05Å; L261-K287 HydrophobicContact CD2-CB 4.46Å; T283-K287 WeakPolarHBondContact O-CG 3.32Å; T283-K287 PolarHBondContact O-N 2.93Å; L284-K287 PolarHBondContact O-N 3.05Å; K287-S289 VanDerWaalsContact C-N 3.35Å; K287-E290 PolarHBondContact O-N 3.26Å; K287-A291 WeakPolarHBondContact O-CB 3.35Å; K287-A291 PolarHBondContact O-N 2.76Å |
| 288 | I | 90.7 | Very high | 84.1 | Confident | 72 Ų | 72 | 96.2 Ų | 96.2 | 37% | 0.369 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 175.9 | -66.7 | 165 | 0 | 0 | 0 | 110.6 | L261 L284 Q286 E290 S292 | L261-I288 HydrophobicContact CD1-CG1 4.25Å; L261-I288 HydrophobicContact CD2-CG1 4.09Å; L261-I288 HydrophobicContact CG-CG1 4Å; L284-I288 HydrophobicContact CD1-CD1 4.45Å; L284-I288 HydrophobicContact CG-CD1 4.13Å; L284-I288 WeakPolarHBondContact O-CG1 3.34Å; L284-I288 PolarHBondContact O-N 3.27Å; Q286-I288 VanDerWaalsContact C-N 3.31Å; Q286-I288 PolarHBondContact O-N 3.46Å; I288-E290 VanDerWaalsContact C-N 3.29Å; I288-E290 PolarHBondContact O-N 3.26Å; I288-S292 WeakPolarHBondContact O-CB 3.48Å; I288-S292 PolarHBondContact O-N 2.92Å; I288-S292 VanDerWaalsContact O-N 3.08Å; I288-S292 PolarHBondContact O-OG 2.92Å |
| 289 | S | 89.3 | Confident | 83.3 | Confident | 53 Ų | 53 | 99.6 Ų | 99.6 | 37% | 0.371 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.3 | -21.3 | 175.8 | -156.4 | 0 | 0 | 0 | 0 | 113.7 | L285 Q286 K287 S292 K293 | L285-S289 VanDerWaalsContact O-CB 3.31Å; L285-S289 WeakPolarHBondContact O-CB 3.38Å; L285-S289 PolarHBondContact O-N 3.18Å; Q286-S289 CarbonylContact O-C 3.59Å; Q286-S289 WeakPolarHBondContact O-CA 3.38Å; Q286-S289 WeakPolarHBondContact O-CB 3.31Å; Q286-S289 PolarHBondContact O-N 3.28Å; K287-S289 VanDerWaalsContact C-N 3.35Å; S289-S292 WeakPolarHBondContact CA-OG 3.49Å; S289-K293 WeakPolarHBondContact O-CD 3.33Å; S289-K293 WeakPolarHBondContact O-CE 3.44Å; S289-K293 WeakPolarHBondContact O-CG 3.46Å; S289-K293 PolarHBondContact O-NZ 2.76Å; S289-K293 PolarHBondContact OG-NZ 3.38Å |
| 290 | E | 88.9 | Confident | 82.7 | Confident | 97 Ų | 97 | 95.2 Ų | 95.2 | 45% | 0.453 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -84.8 | -49.4 | 175 | -73.2 | 164.2 | 173.4 | 0 | 0 | 110.5 | Q286 K287 I288 S292 K293 A294 | Q286-E290 HydrophobicContact CG-CG 4.38Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.31Å; Q286-E290 PolarHBondContact NE2-OE1 3.22Å; Q286-E290 WeakPolarHBondContact O-CG 3.18Å; Q286-E290 PolarHBondContact O-N 3.16Å; K287-E290 PolarHBondContact O-N 3.26Å; I288-E290 VanDerWaalsContact C-N 3.29Å; I288-E290 PolarHBondContact O-N 3.26Å; E290-S292 VanDerWaalsContact C-N 3.3Å; E290-S292 PolarHBondContact O-N 3.42Å; E290-K293 PolarHBondContact O-N 2.88Å; E290-A294 PolarHBondContact O-N 2.87Å; E290-A294 VanDerWaalsContact O-N 3.07Å |
| 291 | A | 87.9 | Confident | 81.9 | Confident | 27 Ų | 27 | 97 Ų | 97 | 22% | 0.223 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -59.6 | -37 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L261 K287 K293 | L261-A291 HydrophobicContact CD2-CB 3.6Å; K287-A291 WeakPolarHBondContact O-CB 3.35Å; K287-A291 PolarHBondContact O-N 2.76Å; A291-K293 VanDerWaalsContact C-N 3.33Å |
| 292 | S | 83.6 | Confident | 80.6 | Confident | 83 Ų | 83 | 105.1 Ų | 105.1 | 58% | 0.58 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -20.4 | 175.7 | 51 | 0 | 0 | 0 | 0 | 114.3 | I288 S289 E290 | I288-S292 WeakPolarHBondContact O-CB 3.48Å; I288-S292 PolarHBondContact O-N 2.92Å; I288-S292 VanDerWaalsContact O-N 3.08Å; I288-S292 PolarHBondContact O-OG 2.92Å; S289-S292 WeakPolarHBondContact CA-OG 3.49Å; E290-S292 VanDerWaalsContact C-N 3.3Å; E290-S292 PolarHBondContact O-N 3.42Å |
| 293 | K | 80.9 | Confident | 79.7 | Confident | 149 Ų | 149 | 98.9 Ų | 98.9 | 65% | 0.648 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -22 | 174.7 | -69.8 | 179.2 | -163.1 | 108.6 | 0 | 113.4 | S289 E290 A291 F295 | S289-K293 WeakPolarHBondContact O-CD 3.33Å; S289-K293 WeakPolarHBondContact O-CE 3.44Å; S289-K293 WeakPolarHBondContact O-CG 3.46Å; S289-K293 PolarHBondContact O-NZ 2.76Å; S289-K293 PolarHBondContact OG-NZ 3.38Å; E290-K293 PolarHBondContact O-N 2.88Å; A291-K293 VanDerWaalsContact C-N 3.33Å; K293-F295 PolarHBondContact O-N 2.94Å |
| 294 | A | 73.5 | Confident | 79.2 | Confident | 65 Ų | 65 | 99 Ų | 99 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -70.1 | -16.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E290 Q296 | E290-A294 PolarHBondContact O-N 2.87Å; E290-A294 VanDerWaalsContact O-N 3.07Å; A294-Q296 PolarHBondContact O-N 3.15Å |
| 295 | F | 63.6 | Low | 78.9 | Confident | 103 Ų | 103 | 103.8 Ų | 103.8 | 45% | 0.452 | 52% | 0.524 | S | S | . | . | trans | -80.2 | 74.8 | -171.2 | -148.1 | -78.8 | 0 | 0 | 0 | 113.1 | Y251 H254 K293 M297 | Y251-F295 HydrophobicContact CD1-CZ 4.48Å; H254-F295 AromaticContact CD2-CD2 3.65Å; H254-F295 AromaticContact CD2-CE2 3.92Å; H254-F295 AromaticContact CE1-CD2 3.82Å; H254-F295 AromaticContact NE2-CD2 3.35Å; H254-F295 WeakPolarHBondContact NE2-CD2 3.49Å; K293-F295 PolarHBondContact O-N 2.94Å; F295-M297 HydrophobicContact CD1-CG 4.04Å; F295-M297 HydrophobicContact CE1-CG 3.63Å; F295-M297 HydrophobicContact CE1-SD 4.16Å | ||
| 296 | Q | 65.4 | Low | 78.6 | Confident | 175 Ų | 175 | 102.2 Ų | 102.2 | 82% | 0.818 | 52% | 0.516 | S | S | * | . | trans | -93.9 | 124.3 | 161.6 | -71 | -169.8 | -3.4 | 0 | 0 | 110.1 | A294 E298 | A294-Q296 PolarHBondContact O-N 3.15Å; Q296-E298 PolarHBondContact O-N 3.02Å; Q296-E298 VanDerWaalsContact O-N 3.14Å | ||
| 297 | M | 63.5 | Low | 78.6 | Confident | 133 Ų | 133 | 99.3 Ų | 99.3 | 66% | 0.655 | 50% | 0.504 | S | S | * | . | trans | -80.8 | 93.9 | 176.5 | -68.4 | -168.7 | 76.7 | 0 | 0 | 111.2 | Y251 F295 K299 | Y251-M297 HydrophobicContact CE1-CG 4.43Å; Y251-M297 VanDerWaalsContact OH-C 3.3Å; Y251-M297 VanDerWaalsContact OH-CA 3.23Å; Y251-M297 WeakPolarHBondContact OH-CA 3.31Å; F295-M297 HydrophobicContact CD1-CG 4.04Å; F295-M297 HydrophobicContact CE1-CG 3.63Å; F295-M297 HydrophobicContact CE1-SD 4.16Å; M297-K299 PolarHBondContact O-N 3.43Å | ||
| 298 | E | 67.5 | Low | 78.5 | Confident | 103 Ų | 103 | 100.1 Ų | 100.1 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | trans | -58.4 | 108.1 | 162.5 | -167.6 | 173.3 | -102.4 | 0 | 0 | 109.3 | L247 K250 Y251 Q296 | L247-E298 HydrophobicContact CD1-CB 4.32Å; L247-E298 HydrophobicContact CD1-CG 4.45Å; K250-E298 IonicContact NZ-OE1 2.66Å; K250-E298 PolarHBondContact NZ-OE1 2.82Å; K250-E298 VanDerWaalsContact NZ-OE1 3.07Å; K250-E298 IonicContact NZ-OE2 3.07Å; K250-E298 PolarHBondContact NZ-OE2 3.05Å; Y251-E298 PolarHBondContact OH-N 3.21Å; Y251-E298 PolarHBondContact OH-O 3.49Å; Q296-E298 PolarHBondContact O-N 3.02Å; Q296-E298 VanDerWaalsContact O-N 3.14Å | ||
| 299 | K | 73.6 | Confident | 78.4 | Confident | 182 Ų | 182 | 101.9 Ų | 101.9 | 79% | 0.791 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 154.3 | 179.6 | -65.7 | -176.6 | 178.9 | -178.7 | 0 | 110.3 | M297 E301 | M297-K299 PolarHBondContact O-N 3.43Å; K299-E301 PolarHBondContact O-N 3.05Å |
| 300 | V | 76.7 | Confident | 78.6 | Confident | 51 Ų | 51 | 102.6 Ų | 102.6 | 31% | 0.309 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 131.4 | 167.6 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | V244 L247 E305 | V244-V300 HydrophobicContact CG2-CG1 4.43Å; L247-V300 HydrophobicContact CD2-CG2 3.92Å; V300-E305 HydrophobicContact CG1-CG 3.85Å |
| 301 | E | 74.4 | Confident | 78.8 | Confident | 115 Ų | 115 | 104 Ų | 104 | 54% | 0.537 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 134.8 | 179.6 | -74.4 | -177 | 176.3 | 0 | 0 | 111.2 | K299 G303 Y304 | K299-E301 PolarHBondContact O-N 3.05Å; E301-G303 PolarHBondContact O-N 2.93Å; E301-Y304 HydrophobicContact CB-CD2 3.61Å; E301-Y304 HydrophobicContact CB-CE2 3.84Å; E301-Y304 PolarHBondContact O-N 3.14Å; E301-Y304 WeakPolarHBondContact OE2-CE2 3.47Å |
| 302 | H | 63.6 | Low | 79.1 | Confident | 184 Ų | 184 | 106.8 Ų | 106.8 | 85% | 0.852 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 103.7 | -172.3 | -155.4 | 49.8 | 0 | 0 | 0 | 110.5 | E305 | H302-E305 IonicContact CE1-OE2 2.77Å; H302-E305 IonicContact ND1-OE2 3.92Å; H302-E305 PolarHBondContact ND1-OE2 3.19Å |
| 303 | G | 71.9 | Confident | 79.6 | Confident | 39 Ų | 39 | 108.3 Ų | 108.3 | 40% | 0.402 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 137.5 | -25.8 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K240 E301 E305 | K240-G303 WeakPolarHBondContact CE-O 3.49Å; K240-G303 PolarHBondContact NZ-O 2.86Å; E301-G303 PolarHBondContact O-N 2.93Å; G303-E305 PolarHBondContact O-N 2.94Å |
| 304 | Y | 82.2 | Confident | 80.3 | Confident | 78 Ų | 78 | 106.2 Ų | 106.2 | 31% | 0.306 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -19.8 | 172.4 | -78.6 | -100.8 | 0 | 0 | 0 | 112.9 | K240 H243 E301 N306 | K240-Y304 HydrophobicContact CB-CD1 3.89Å; K240-Y304 HydrophobicContact CB-CE1 4.48Å; K240-Y304 HydrophobicContact CG-CD1 3.73Å; K240-Y304 HydrophobicContact CG-CE1 4.14Å; K240-Y304 HydrophobicContact CG-CG 4.35Å; H243-Y304 HydrophobicContact CB-CD1 3.74Å; H243-Y304 HydrophobicContact CB-CE1 3.34Å; H243-Y304 AromaticContact CD2-CD1 3.71Å; H243-Y304 AromaticContact CD2-CE1 3.8Å; H243-Y304 AromaticContact CG-CD1 3.77Å; H243-Y304 AromaticContact CG-CE1 3.41Å; H243-Y304 VanDerWaalsContact CG-CE1 3.41Å; H243-Y304 AromaticContact CG-CZ 3.87Å; H243-Y304 AromaticContact ND1-CE1 3.9Å; H243-Y304 AromaticContact ND1-CZ 3.88Å; E301-Y304 HydrophobicContact CB-CD2 3.61Å; E301-Y304 HydrophobicContact CB-CE2 3.84Å; E301-Y304 PolarHBondContact O-N 3.14Å; E301-Y304 WeakPolarHBondContact OE2-CE2 3.47Å; Y304-N306 VanDerWaalsContact C-N 3.34Å; Y304-N306 PolarHBondContact O-N 3.38Å |
| 305 | E | 84.5 | Confident | 81.4 | Confident | 127 Ų | 127 | 108.2 Ų | 108.2 | 59% | 0.593 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -8.6 | -174 | -56.5 | 171.2 | 128.8 | 0 | 0 | 113.9 | V300 H302 G303 | V300-E305 HydrophobicContact CG1-CG 3.85Å; H302-E305 IonicContact CE1-OE2 2.77Å; H302-E305 IonicContact ND1-OE2 3.92Å; H302-E305 PolarHBondContact ND1-OE2 3.19Å; G303-E305 PolarHBondContact O-N 2.94Å |
| 306 | N | 86.1 | Confident | 83 | Confident | 83 Ų | 83 | 112 Ų | 112 | 44% | 0.444 | 56% | 0.556 | S | S | . | * | trans | -147.6 | 150.1 | -168.5 | -161 | -15 | 0 | 0 | 0 | 114.2 | K240 Y304 N308 | K240-N306 PolarHBondContact NZ-O 3.5Å; Y304-N306 VanDerWaalsContact C-N 3.34Å; Y304-N306 PolarHBondContact O-N 3.38Å; N306-N308 WeakPolarHBondContact OD1-CB 3.39Å; N306-N308 PolarHBondContact OD1-N 3.33Å; N306-N308 PolarHBondContact OD1-ND2 3.07Å; N306-N308 PolarHBondContact OD1-OD1 2.7Å; N306-N308 VanDerWaalsContact OD1-OD1 3.1Å | ||
| 307 | M | 91.4 | Very high | 84.4 | Confident | 52 Ų | 52 | 107.2 Ų | 107.2 | 26% | 0.256 | 53% | 0.533 | S | S | . | . | trans | -120.4 | -4.1 | 177.4 | -66.2 | -67 | -78.4 | 0 | 0 | 114 | I233 T236 Q237 K240 H309 F310 | I233-M307 HydrophobicContact CG2-CE 3.97Å; I233-M307 WeakPolarHBondContact O-CE 3.37Å; T236-M307 HydrophobicContact CG2-CE 4.18Å; T236-M307 HydrophobicContact CG2-SD 4.1Å; Q237-M307 HydrophobicContact CB-CE 3.93Å; K240-M307 HydrophobicContact CD-SD 3.84Å; M307-H309 PolarHBondContact O-N 3.3Å; M307-H309 PolarHBondContact O-ND1 3.1Å; M307-F310 HydrophobicContact CE-CD2 4.05Å; M307-F310 HydrophobicContact CE-CE2 3.53Å; M307-F310 WeakPolarHBondContact O-CD2 3.38Å; M307-F310 PolarHBondContact O-N 3.02Å; M307-F310 HydrophobicContact SD-CE2 4.22Å | ||
| 308 | N | 89.5 | Confident | 85.9 | Confident | 131 Ų | 131 | 104.8 Ų | 104.8 | 70% | 0.701 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 5.7 | -172.5 | -61.8 | 0.8 | 0 | 0 | 0 | 116.3 | N306 | N306-N308 WeakPolarHBondContact OD1-CB 3.39Å; N306-N308 PolarHBondContact OD1-N 3.33Å; N306-N308 PolarHBondContact OD1-ND2 3.07Å; N306-N308 PolarHBondContact OD1-OD1 2.7Å; N306-N308 VanDerWaalsContact OD1-OD1 3.1Å |
| 309 | H | 89.1 | Confident | 87.2 | Confident | 109 Ų | 109 | 105.6 Ų | 105.6 | 51% | 0.505 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -18.1 | 176.4 | 56.4 | -76.8 | 0 | 0 | 0 | 112.5 | M307 T311 | M307-H309 PolarHBondContact O-N 3.3Å; M307-H309 PolarHBondContact O-ND1 3.1Å; H309-T311 PolarHBondContact O-N 3.14Å; H309-T311 VanDerWaalsContact O-N 3.16Å |
| 310 | F | 92.6 | Very high | 88.3 | Confident | 69 Ų | 69 | 101.1 Ų | 101.1 | 30% | 0.303 | 51% | 0.506 | S | S | . | . | trans | -71.7 | 105.8 | 171.3 | -67.4 | -71.4 | 0 | 0 | 0 | 110 | V232 I233 T236 M307 | V232-F310 HydrophobicContact CG1-CE1 3.97Å; V232-F310 HydrophobicContact CG1-CZ 4.39Å; I233-F310 HydrophobicContact CD1-CB 4.19Å; I233-F310 HydrophobicContact CD1-CD1 4.41Å; I233-F310 HydrophobicContact CD1-CG 4.2Å; I233-F310 HydrophobicContact CG1-CB 4.22Å; I233-F310 HydrophobicContact CG1-CD1 3.7Å; I233-F310 HydrophobicContact CG1-CD2 3.93Å; I233-F310 HydrophobicContact CG1-CE1 3.98Å; I233-F310 HydrophobicContact CG1-CE2 4.21Å; I233-F310 HydrophobicContact CG1-CG 3.67Å; I233-F310 HydrophobicContact CG1-CZ 4.23Å; I233-F310 HydrophobicContact CG2-CD2 4.44Å; T236-F310 HydrophobicContact CG2-CE2 4.17Å; T236-F310 HydrophobicContact CG2-CZ 4.12Å; M307-F310 HydrophobicContact CE-CD2 4.05Å; M307-F310 HydrophobicContact CE-CE2 3.53Å; M307-F310 WeakPolarHBondContact O-CD2 3.38Å; M307-F310 PolarHBondContact O-N 3.02Å; M307-F310 HydrophobicContact SD-CE2 4.22Å | ||
| 311 | T | 93.2 | Very high | 89.1 | Confident | 125 Ų | 125 | 102.6 Ų | 102.6 | 77% | 0.767 | 51% | 0.511 | S | S | * | . | trans | -133.4 | 150.9 | 177.8 | 54.3 | 0 | 0 | 0 | 0 | 109.8 | H309 | H309-T311 PolarHBondContact O-N 3.14Å; H309-T311 VanDerWaalsContact O-N 3.16Å | ||
| 312 | V | 94.7 | Very high | 90.1 | Very high | 87 Ų | 87 | 105.8 Ų | 105.8 | 53% | 0.527 | 52% | 0.519 | S | S | . | . | trans | -139.9 | 141.6 | -172.7 | -166.2 | 0 | 0 | 0 | 0 | 108.7 | M229 L314 | M229-V312 HydrophobicContact CE-CG1 4.15Å; M229-V312 HydrophobicContact CE-CG2 3.77Å; M229-V312 HydrophobicContact SD-CG1 4.25Å; M229-V312 HydrophobicContact SD-CG2 3.54Å; M229-V312 VanDerWaalsContact SD-CG2 3.54Å; V312-L314 HydrophobicContact CG1-CD2 3.84Å; V312-L314 HydrophobicContact CG1-CG 3.99Å | ||
| 313 | N | 94.1 | Very high | 91.6 | Very high | 114 Ų | 114 | 103 Ų | 103 | 61% | 0.61 | 51% | 0.506 | S | S | * | . | trans | -126.4 | 129.7 | 170.7 | -174.4 | -42.3 | 0 | 0 | 0 | 107.4 | N315 | N313-N315 WeakPolarHBondContact OD1-CB 3.42Å; N313-N315 PolarHBondContact OD1-N 2.71Å; N313-N315 PolarHBondContact OD1-OD1 2.7Å; N313-N315 VanDerWaalsContact OD1-OD1 3.12Å | ||
| 314 | L | 95.9 | Very high | 92.6 | Very high | 105 Ų | 105 | 105 Ų | 105 | 55% | 0.55 | 51% | 0.506 | S | S | . | . | trans | -124.8 | 10.9 | -176.5 | -59.5 | 176.4 | 0 | 0 | 0 | 111.9 | V312 R316 E317 E318 | V312-L314 HydrophobicContact CG1-CD2 3.84Å; V312-L314 HydrophobicContact CG1-CG 3.99Å; L314-R316 PolarHBondContact O-N 3.36Å; L314-R316 VanDerWaalsContact O-N 3.13Å; L314-E317 WeakPolarHBondContact CA-OE2 3.41Å; L314-E317 PolarHBondContact O-N 3.08Å; L314-E317 VanDerWaalsContact O-N 3.1Å; L314-E318 VanDerWaalsContact O-CB 3.32Å; L314-E318 WeakPolarHBondContact O-CB 3.16Å; L314-E318 PolarHBondContact O-N 3.18Å | ||
| 315 | N | 96.6 | Very high | 93.2 | Very high | 108 Ų | 108 | 106.5 Ų | 106.5 | 58% | 0.578 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.9 | -23.9 | -168.3 | -59.9 | 16.7 | 0 | 0 | 0 | 112.6 | N313 K319 | N313-N315 WeakPolarHBondContact OD1-CB 3.42Å; N313-N315 PolarHBondContact OD1-N 2.71Å; N313-N315 PolarHBondContact OD1-OD1 2.7Å; N313-N315 VanDerWaalsContact OD1-OD1 3.12Å; N315-K319 WeakPolarHBondContact O-CB 3.4Å; N315-K319 PolarHBondContact O-N 2.81Å |
| 316 | R | 95.5 | Very high | 93.6 | Very high | 183 Ų | 183 | 107.3 Ų | 107.3 | 69% | 0.691 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -79.6 | -42.8 | 176.4 | 177.7 | -171.3 | -179.1 | -158.6 | -1 | 110.7 | L314 K319 I320 | L314-R316 PolarHBondContact O-N 3.36Å; L314-R316 VanDerWaalsContact O-N 3.13Å; R316-K319 WeakPolarHBondContact O-CB 3.42Å; R316-K319 PolarHBondContact O-N 3.05Å; R316-I320 HydrophobicContact CG-CD1 4Å; R316-I320 WeakPolarHBondContact O-CG1 3.43Å; R316-I320 PolarHBondContact O-N 2.96Å |
| 317 | E | 95 | Very high | 93.6 | Very high | 74 Ų | 74 | 112.8 Ų | 112.8 | 35% | 0.346 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.2 | -44 | -178.5 | -65.1 | 61.6 | -138 | 0 | 0 | 109.7 | L314 K319 I320 I321 | L314-E317 WeakPolarHBondContact CA-OE2 3.41Å; L314-E317 PolarHBondContact O-N 3.08Å; L314-E317 VanDerWaalsContact O-N 3.1Å; E317-K319 VanDerWaalsContact C-N 3.29Å; E317-K319 PolarHBondContact O-N 3.24Å; E317-I320 PolarHBondContact O-N 3.24Å; E317-I321 VanDerWaalsContact O-CG1 3.29Å; E317-I321 WeakPolarHBondContact O-CG1 3.45Å; E317-I321 PolarHBondContact O-N 2.67Å |
| 318 | E | 94.8 | Very high | 92.9 | Very high | 82 Ų | 82 | 118.7 Ų | 118.7 | 38% | 0.383 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -53.7 | -44.2 | 168.7 | -178.2 | -170.1 | 162.6 | 0 | 0 | 111.9 | L314 R322 | L314-E318 VanDerWaalsContact O-CB 3.32Å; L314-E318 WeakPolarHBondContact O-CB 3.16Å; L314-E318 PolarHBondContact O-N 3.18Å; E318-R322 PolarHBondContact O-N 3.49Å; E318-R322 IonicContact OE1-CZ 2.72Å; E318-R322 IonicContact OE1-NH1 3.03Å; E318-R322 PolarHBondContact OE1-NH1 3.22Å; E318-R322 IonicContact OE1-NH2 3.76Å; E318-R322 PolarHBondContact OE1-NH2 3.5Å |
| 319 | K | 96.8 | Very high | 91.3 | Very high | 119 Ų | 119 | 119.5 Ų | 119.5 | 52% | 0.517 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.1 | -49.7 | 176.7 | 179.2 | 177.6 | 172.5 | -176.1 | 0 | 111.3 | N315 R316 E317 I321 R322 E323 | N315-K319 WeakPolarHBondContact O-CB 3.4Å; N315-K319 PolarHBondContact O-N 2.81Å; R316-K319 WeakPolarHBondContact O-CB 3.42Å; R316-K319 PolarHBondContact O-N 3.05Å; E317-K319 VanDerWaalsContact C-N 3.29Å; E317-K319 PolarHBondContact O-N 3.24Å; K319-I321 VanDerWaalsContact C-N 3.3Å; K319-I321 PolarHBondContact O-N 2.7Å; K319-R322 PolarHBondContact O-N 3.43Å; K319-R322 VanDerWaalsContact O-N 3.14Å; K319-E323 WeakPolarHBondContact CE-OE1 3.28Å; K319-E323 WeakPolarHBondContact CE-OE2 3.48Å; K319-E323 IonicContact NZ-OE1 3.05Å; K319-E323 PolarHBondContact NZ-OE1 3.15Å; K319-E323 IonicContact NZ-OE2 3.64Å; K319-E323 PolarHBondContact O-N 3.09Å |
| 320 | I | 95.1 | Very high | 89.4 | Confident | 88 Ų | 88 | 120.5 Ų | 120.5 | 45% | 0.451 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.5 | -40.3 | -178.8 | -69.2 | 163.9 | 0 | 0 | 0 | 111 | R316 E317 R322 E323 | R316-I320 HydrophobicContact CG-CD1 4Å; R316-I320 WeakPolarHBondContact O-CG1 3.43Å; R316-I320 PolarHBondContact O-N 2.96Å; E317-I320 PolarHBondContact O-N 3.24Å; I320-R322 VanDerWaalsContact C-N 3.32Å; I320-R322 PolarHBondContact O-N 3.36Å; I320-E323 PolarHBondContact O-N 3.28Å; I320-E323 VanDerWaalsContact O-N 3.14Å |
| 321 | I | 94.8 | Very high | 87.2 | Confident | 82 Ų | 82 | 124.8 Ų | 124.8 | 42% | 0.421 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.5 | -34 | 178.1 | -68.3 | 164.8 | 0 | 0 | 0 | 111.7 | L222 E317 K319 E323 | L222-I321 HydrophobicContact CD1-CD1 4.17Å; E317-I321 VanDerWaalsContact O-CG1 3.29Å; E317-I321 WeakPolarHBondContact O-CG1 3.45Å; E317-I321 PolarHBondContact O-N 2.67Å; K319-I321 VanDerWaalsContact C-N 3.3Å; K319-I321 PolarHBondContact O-N 2.7Å; I321-E323 VanDerWaalsContact C-N 3.3Å; I321-E323 PolarHBondContact O-N 3.05Å |
| 322 | R | 94 | Very high | 84.9 | Confident | 183 Ų | 183 | 126.3 Ų | 126.3 | 69% | 0.691 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -74.8 | -14.7 | 173.6 | -73.3 | -168.9 | -173.7 | 117 | 10 | 114.6 | E318 K319 I320 | E318-R322 PolarHBondContact O-N 3.49Å; E318-R322 IonicContact OE1-CZ 2.72Å; E318-R322 IonicContact OE1-NH1 3.03Å; E318-R322 PolarHBondContact OE1-NH1 3.22Å; E318-R322 IonicContact OE1-NH2 3.76Å; E318-R322 PolarHBondContact OE1-NH2 3.5Å; K319-R322 PolarHBondContact O-N 3.43Å; K319-R322 VanDerWaalsContact O-N 3.14Å; I320-R322 VanDerWaalsContact C-N 3.32Å; I320-R322 PolarHBondContact O-N 3.36Å |
| 323 | E | 95.3 | Very high | 82.5 | Confident | 124 Ų | 124 | 130.3 Ų | 130.3 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 10.3 | 178.4 | -69.9 | 177.8 | 150.6 | 0 | 0 | 112.3 | K319 I320 I321 | K319-E323 WeakPolarHBondContact CE-OE1 3.28Å; K319-E323 WeakPolarHBondContact CE-OE2 3.48Å; K319-E323 IonicContact NZ-OE1 3.05Å; K319-E323 PolarHBondContact NZ-OE1 3.15Å; K319-E323 IonicContact NZ-OE2 3.64Å; K319-E323 PolarHBondContact O-N 3.09Å; I320-E323 PolarHBondContact O-N 3.28Å; I320-E323 VanDerWaalsContact O-N 3.14Å; I321-E323 VanDerWaalsContact C-N 3.3Å; I321-E323 PolarHBondContact O-N 3.05Å |
| 324 | I | 94.1 | Very high | 80 | Confident | 81 Ų | 81 | 133.5 Ų | 133.5 | 42% | 0.415 | 61% | 0.614 | S | S | . | * | trans | -79.5 | 118.5 | 172.3 | -58.1 | 175.2 | 0 | 0 | 0 | 109.6 | F215 L218 | F215-I324 HydrophobicContact CE1-CD1 4.31Å; F215-I324 HydrophobicContact CZ-CG2 4.01Å; L218-I324 HydrophobicContact CD1-CD1 4.12Å | ||
| 325 | D | 94 | Very high | 77.3 | Confident | 111 Ų | 111 | 138 Ų | 138 | 59% | 0.594 | 63% | 0.632 | S | S | * | * | trans | -131.8 | 170 | 173.4 | -169.8 | 13 | 0 | 0 | 0 | 108.8 | R328 | D325-R328 IonicContact OD2-NH2 2.68Š| ||
| 326 | F | 92.3 | Very high | 74.5 | Confident | 144 Ų | 144 | 141.6 Ų | 141.6 | 63% | 0.632 | 65% | 0.646 | S | S | * | * | trans | -64.1 | 142.8 | 169 | -69.1 | -81.1 | 0 | 0 | 0 | 110.6 | L211 R328 | L211-F326 HydrophobicContact CD1-CE1 4.05Å; L211-F326 HydrophobicContact CD1-CZ 4.42Å; L211-F326 HydrophobicContact CD2-CE1 4.02Å; L211-F326 HydrophobicContact CD2-CZ 3.72Å; F326-R328 PolarHBondContact O-N 3.49Å; F326-R328 VanDerWaalsContact O-N 3.17Å | ||
| 327 | Y | 86.8 | Confident | 72 | Confident | 197 Ų | 197 | 142.5 Ų | 142.5 | 77% | 0.773 | 66% | 0.658 | S | S | * | * | trans | -67.8 | 116.1 | 170.2 | -174.3 | -118.9 | 0 | 0 | 0 | 108.7 | E329 | Y327-E329 HydrophobicContact CD1-CG 3.75Å; Y327-E329 HydrophobicContact CE1-CB 4.49Å; Y327-E329 HydrophobicContact CE1-CG 3.42Å; Y327-E329 VanDerWaalsContact CE1-CG 3.42Å; Y327-E329 PolarHBondContact O-N 3.18Å | ||
| 328 | R | 77.7 | Confident | 69.2 | Low | 176 Ų | 176 | 142.5 Ų | 142.5 | 66% | 0.664 | 68% | 0.678 | S | S | * | * | trans | -77.9 | 114.1 | 159.7 | -87.6 | 172 | -90.1 | 171.3 | -7 | 107.2 | D325 F326 D330 | D325-R328 IonicContact OD2-NH2 2.68Å; F326-R328 PolarHBondContact O-N 3.49Å; F326-R328 VanDerWaalsContact O-N 3.17Å; R328-D330 VanDerWaalsContact C-N 3.33Å; R328-D330 PolarHBondContact O-N 3.43Å | ||
| 329 | E | 55.3 | Low | 66.5 | Low | 148 Ų | 148 | 142.2 Ų | 142.2 | 69% | 0.692 | 70% | 0.697 | S | S | * | * | trans | -67.4 | 104.7 | 148.7 | -74 | 175.6 | 170.1 | 0 | 0 | 104.7 | Y327 E331 | Y327-E329 HydrophobicContact CD1-CG 3.75Å; Y327-E329 HydrophobicContact CE1-CB 4.49Å; Y327-E329 HydrophobicContact CE1-CG 3.42Å; Y327-E329 VanDerWaalsContact CE1-CG 3.42Å; Y327-E329 PolarHBondContact O-N 3.18Å; E329-E331 PolarHBondContact O-N 3.05Å | ||
| 330 | D | 49.1 | Very low | 63.8 | Low | 130 Ų | 130 | 146 Ų | 146 | 70% | 0.695 | 72% | 0.716 | S | S | * | * | trans | -66.5 | 95.6 | 166.4 | -69 | -43.8 | 0 | 0 | 0 | 105.6 | R328 D332 | R328-D330 VanDerWaalsContact C-N 3.33Å; R328-D330 PolarHBondContact O-N 3.43Å; D330-D332 VanDerWaalsContact C-N 3.25Å; D330-D332 PolarHBondContact O-N 3.34Å | ||
| 331 | E | 46.5 | Very low | 61 | Low | 159 Ų | 159 | 145.5 Ų | 145.5 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | trans | -66 | 89.1 | 171.8 | -72.4 | 176.6 | 146 | 0 | 0 | 107.7 | E329 E333 | E329-E331 PolarHBondContact O-N 3.05Å; E331-E333 HydrophobicContact CB-CG 4.44Å; E331-E333 PolarHBondContact O-N 3.15Å | ||
| 332 | D | 44.1 | Very low | 58.3 | Low | 157 Ų | 157 | 151.4 Ų | 151.4 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | trans | -64.6 | 57 | 163.2 | -77 | -39.4 | 0 | 0 | 0 | 109.4 | D330 E334 | D330-D332 VanDerWaalsContact C-N 3.25Å; D330-D332 PolarHBondContact O-N 3.34Å; D332-E334 PolarHBondContact O-N 3.34Å | ||
| 333 | E | 45.5 | Very low | 55.7 | Low | 172 Ų | 172 | 154.3 Ų | 154.3 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -69.2 | 123.8 | 166.6 | -74.4 | -157.8 | 146.5 | 0 | 0 | 108.6 | E331 | E331-E333 HydrophobicContact CB-CG 4.44Å; E331-E333 PolarHBondContact O-N 3.15Å | ||
| 334 | E | 40.3 | Very low | 53 | Low | 180 Ų | 180 | 158 Ų | 158 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | trans | -64.5 | 143.8 | -168.4 | -57.1 | -179.6 | 139.2 | 0 | 0 | 111.4 | D332 E336 | D332-E334 PolarHBondContact O-N 3.34Å; E334-E336 VanDerWaalsContact C-N 3.28Å; E334-E336 PolarHBondContact O-N 3.36Å | ||
| 335 | E | 39.2 | Very low | 50.1 | Low | 199 Ų | 199 | 157.4 Ų | 157.4 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -66.2 | 80.7 | 174.9 | -67.5 | -175.5 | 149.7 | 0 | 0 | 111.1 | E337 | E335-E337 PolarHBondContact O-N 3.44Å; E335-E337 VanDerWaalsContact O-N 3.14Å | ||
| 336 | E | 38.6 | Very low | 47.4 | Very low | 185 Ų | 185 | 161.9 Ų | 161.9 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -66.9 | 110.3 | 166.2 | -80.4 | -137.3 | 133.1 | 0 | 0 | 109.7 | E334 G338 | E334-E336 VanDerWaalsContact C-N 3.28Å; E334-E336 PolarHBondContact O-N 3.36Å; E336-G338 PolarHBondContact O-N 3.19Å | ||
| 337 | E | 43.9 | Very low | 44.5 | Very low | 201 Ų | 201 | 158.8 Ų | 158.8 | 94% | 0.939 | 83% | 0.827 | S | S | * | * | trans | -65.4 | 68.2 | 169.4 | -74.6 | -167.3 | 109.8 | 0 | 0 | 111.8 | E335 G339 | E335-E337 PolarHBondContact O-N 3.44Å; E335-E337 VanDerWaalsContact O-N 3.14Å; E337-G339 PolarHBondContact O-N 3.24Å | ||
| 338 | G | 36.2 | Very low | 42.1 | Very low | 74 Ų | 74 | 158.7 Ų | 158.7 | 76% | 0.763 | 83% | 0.834 | S | S | * | * | trans | -78.4 | 46.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E336 E340 | E336-G338 PolarHBondContact O-N 3.19Å; G338-E340 PolarHBondContact O-N 3.18Å; G338-E340 VanDerWaalsContact O-N 3.08Å | ||
| 339 | G | 38.1 | Very low | 40.1 | Very low | 77 Ų | 77 | 157.6 Ų | 157.6 | 79% | 0.794 | 85% | 0.846 | S | S | * | * | trans | -80.9 | 78.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116 | E337 | E337-G339 PolarHBondContact O-N 3.24Š| ||
| 340 | E | 38.9 | Very low | 38.9 | Very low | 197 Ų | 197 | 153.8 Ų | 153.8 | 92% | 0.921 | 85% | 0.847 | S | S | * | * | trans | -120.5 | 120.3 | 163.7 | -69.5 | -167.7 | -160.3 | 0 | 0 | 111.2 | G338 | G338-E340 PolarHBondContact O-N 3.18Å; G338-E340 VanDerWaalsContact O-N 3.08Å | ||
| 341 | G | 37.6 | Very low | 38 | Very low | 79 Ų | 79 | 151.7 Ų | 151.7 | 81% | 0.814 | 86% | 0.856 | S | S | * | * | trans | -126.2 | 118 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 342 | E | 37.4 | Very low | 37.2 | Very low | 205 Ų | 205 | 153.4 Ų | 153.4 | 96% | 0.958 | 86% | 0.864 | S | S | * | * | trans | -109.8 | 141.9 | 165 | -65.2 | -158.9 | 136.3 | 0 | 0 | 110.4 | ||||
| 343 | R | 38.3 | Very low | 36.7 | Very low | 245 Ų | 245 | 150.5 Ų | 150.5 | 93% | 0.925 | 86% | 0.862 | S | S | * | * | trans | -139.9 | 81.2 | -167.5 | -172 | -175.8 | -174.8 | -102.2 | -0.2 | 111.1 | ||||
| 344 | E | 39.4 | Very low | 36.1 | Very low | 201 Ų | 201 | 148.3 Ų | 148.3 | 94% | 0.939 | 86% | 0.86 | S | S | * | * | trans | -124.8 | 150.9 | 168.2 | -63.7 | -163.8 | 165.2 | 0 | 0 | 109.7 | ||||
| 345 | G | 33.2 | Very low | 36.1 | Very low | 69 Ų | 69 | 149 Ų | 149 | 71% | 0.711 | 86% | 0.863 | S | S | * | * | cis | 172.4 | 30 | 1.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 346 | E | 37.4 | Very low | 35.9 | Very low | 205 Ų | 205 | 145.7 Ų | 145.7 | 96% | 0.958 | 86% | 0.857 | S | S | * | * | trans | 62.4 | 140 | 172.5 | -65 | 172.7 | -166.3 | 0 | 0 | 117.7 | ||||
| 347 | G | 30.9 | Very low | 35.6 | Very low | 78 Ų | 78 | 145.6 Ų | 145.6 | 80% | 0.804 | 86% | 0.856 | S | S | * | * | trans | -171.7 | 67.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V349 | G347-V349 PolarHBondContact O-N 2.97Š| ||
| 348 | E | 37.2 | Very low | 35.2 | Very low | 196 Ų | 196 | 145.3 Ų | 145.3 | 92% | 0.916 | 86% | 0.855 | S | S | * | * | trans | -69.8 | 115.4 | 178.2 | -66.9 | -174.4 | 109 | 0 | 0 | 113.5 | ||||
| 349 | V | 34.3 | Very low | 35.1 | Very low | 152 Ų | 152 | 148.1 Ų | 148.1 | 92% | 0.921 | 86% | 0.857 | S | S | * | * | trans | -156.8 | 139.1 | 136.6 | -173 | 0 | 0 | 0 | 0 | 105.7 | G347 | G347-V349 PolarHBondContact O-N 2.97Š| ||
| 350 | G | 30.4 | Very low | 34.7 | Very low | 69 Ų | 69 | 152.9 Ų | 152.9 | 71% | 0.711 | 86% | 0.858 | S | S | * | * | cis | 173.2 | 122.3 | -4 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 351 | G | 29.7 | Very low | 34.4 | Very low | 86 Ų | 86 | 151.4 Ų | 151.4 | 89% | 0.887 | 86% | 0.855 | S | S | * | * | trans | -85.6 | 164.1 | -153.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 352 | E | 30.7 | Very low | 34.1 | Very low | 195 Ų | 195 | 153.8 Ų | 153.8 | 91% | 0.911 | 85% | 0.853 | S | S | * | * | trans | -140.1 | 143.2 | 149.7 | -162.1 | 163.3 | -166.4 | 0 | 0 | 107.9 | ||||
| 353 | A | 34.2 | Very low | 33.8 | Very low | 96 Ų | 96 | 152.2 Ų | 152.2 | 79% | 0.793 | 85% | 0.846 | S | S | * | * | trans | -98.4 | 132.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 354 | V | 32.4 | Very low | 33.5 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 76% | 0.764 | 84% | 0.838 | S | S | * | * | trans | -130.7 | 110.2 | 166.6 | -177.7 | 0 | 0 | 0 | 0 | 107.7 | V356 | V354-V356 HydrophobicContact CG1-CG2 4.04Š| ||
| 355 | E | 39.5 | Very low | 33 | Very low | 194 Ų | 194 | 143.9 Ų | 143.9 | 91% | 0.907 | 83% | 0.833 | S | S | * | * | trans | -69.3 | 135 | 165.8 | -63.1 | 172.1 | 143.7 | 0 | 0 | 108.2 | ||||
| 356 | V | 35.5 | Very low | 33.1 | Very low | 130 Ų | 130 | 150 Ų | 150 | 79% | 0.788 | 84% | 0.841 | S | S | * | * | trans | -131 | 126.2 | 171.1 | -169.2 | 0 | 0 | 0 | 0 | 107.1 | V354 | V354-V356 HydrophobicContact CG1-CG2 4.04Š| ||
| 357 | E | 32.4 | Very low | 33.2 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 85% | 0.85 | 83% | 0.833 | S | S | * | * | trans | -70.4 | 161.3 | -170.7 | -65.8 | 177.1 | 117.7 | 0 | 0 | 113.3 | ||||
| 358 | E | 36.3 | Very low | 33.2 | Very low | 195 Ų | 195 | 146.1 Ų | 146.1 | 91% | 0.911 | 83% | 0.834 | S | S | * | * | trans | -60.4 | 133.3 | 171.6 | -58.3 | 177 | 131.8 | 0 | 0 | 110.3 | ||||
| 359 | V | 32.7 | Very low | 33 | Very low | 134 Ų | 134 | 146.3 Ų | 146.3 | 81% | 0.812 | 84% | 0.835 | S | S | * | * | trans | -101.6 | 113.6 | 171.4 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | I361 | V359-I361 PolarHBondContact O-N 2.83Š| ||
| 360 | E | 30.2 | Very low | 32.7 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | trans | -58 | 128.5 | 176.3 | -68 | -176.9 | 109.5 | 0 | 0 | 111.5 | V362 | E360-V362 PolarHBondContact O-N 2.92Å; E360-V362 VanDerWaalsContact O-N 3.08Å | ||
| 361 | I | 31.7 | Very low | 32.7 | Very low | 166 Ų | 166 | 152.9 Ų | 152.9 | 85% | 0.851 | 84% | 0.842 | S | S | * | * | trans | -76.8 | 96.6 | 168.8 | -59.7 | 177.9 | 0 | 0 | 0 | 107.6 | V359 Q363 | V359-I361 PolarHBondContact O-N 2.83Å; I361-Q363 PolarHBondContact O-N 3.07Å | ||
| 362 | V | 32.4 | Very low | 32.6 | Very low | 129 Ų | 129 | 154.1 Ų | 154.1 | 78% | 0.782 | 84% | 0.837 | S | S | * | * | trans | -57.1 | 130.7 | 178.8 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | E360 A364 | E360-V362 PolarHBondContact O-N 2.92Å; E360-V362 VanDerWaalsContact O-N 3.08Å; V362-A364 PolarHBondContact O-N 2.81Å | ||
| 363 | Q | 31.6 | Very low | 33 | Very low | 172 Ų | 172 | 150.9 Ų | 150.9 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -65.1 | 131.8 | -179.6 | -62.8 | 174.4 | -82 | 0 | 0 | 111.3 | I361 E365 | I361-Q363 PolarHBondContact O-N 3.07Å; Q363-E365 PolarHBondContact O-N 3.1Å | ||
| 364 | A | 30.8 | Very low | 32.7 | Very low | 92 Ų | 92 | 155.6 Ų | 155.6 | 76% | 0.76 | 84% | 0.839 | S | S | * | * | trans | -82.8 | 94.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | V362 | V362-A364 PolarHBondContact O-N 2.81Š| ||
| 365 | E | 30 | Very low | 32.5 | Very low | 179 Ų | 179 | 159.3 Ų | 159.3 | 84% | 0.836 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 132.7 | 170.6 | -63.8 | -170.2 | 131.6 | 0 | 0 | 110.8 | Q363 | Q363-E365 PolarHBondContact O-N 3.1Š|
| 366 | F | 34.2 | Very low | 31.9 | Very low | 199 Ų | 199 | 155 Ų | 155 | 87% | 0.873 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 135.2 | 171 | -74.2 | -97.6 | 0 | 0 | 0 | 109.9 | G368 | F366-G368 PolarHBondContact O-N 2.9Š|
| 367 | P | 40.9 | Very low | 31.5 | Very low | 122 Ų | 122 | 153.5 Ų | 153.5 | 79% | 0.792 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 130 | 172.5 | 29.6 | -33.2 | 0 | 0 | 0 | 110.4 | ||
| 368 | G | 29.3 | Very low | 31.3 | Very low | 79 Ų | 79 | 152.9 Ų | 152.9 | 81% | 0.814 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 161 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F366 | F366-G368 PolarHBondContact O-N 2.9Š|
| 369 | E | 34 | Very low | 30.8 | Very low | 200 Ų | 200 | 151.1 Ų | 151.1 | 94% | 0.935 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 149.7 | 179.1 | -59.4 | -176.2 | 117 | 0 | 0 | 112.1 | ||
| 370 | D | 28.6 | Very low | 30.6 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 125.1 | -179.8 | -96.4 | -50.5 | 0 | 0 | 0 | 112.5 | ||
| 371 | E | 29.1 | Very low | 30.5 | Very low | 190 Ų | 190 | 150.3 Ų | 150.3 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 133.8 | 161.6 | -84.8 | -157.2 | 103.1 | 0 | 0 | 111.6 | ||
| 372 | S | 28.4 | Very low | 30.2 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 79% | 0.79 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 130.2 | 168.6 | -71 | 0 | 0 | 0 | 0 | 111.1 | ||
| 373 | P | 38.9 | Very low | 30 | Very low | 127 Ų | 127 | 149.8 Ų | 149.8 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -85 | 132.7 | -174.5 | 32 | -34.9 | 0 | 0 | 0 | 113.8 | ||
| 374 | E | 28.1 | Very low | 29.8 | Very low | 195 Ų | 195 | 149.1 Ų | 149.1 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 165 | 162 | -78.5 | -128.9 | 97.9 | 0 | 0 | 112.4 | ||
| 375 | K | 27.8 | Very low | 29.7 | Very low | 204 Ų | 204 | 152.3 Ų | 152.3 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -87 | 144.3 | -168.1 | -63.1 | 172 | -179.7 | 171 | 0 | 114.1 | ||
| 376 | A | 27.4 | Very low | 29.5 | Very low | 103 Ų | 103 | 148.9 Ų | 148.9 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | trans | -136 | 149 | 145.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 377 | S | 27.6 | Very low | 29.1 | Very low | 99 Ų | 99 | 143.9 Ų | 143.9 | 69% | 0.692 | 82% | 0.822 | S | S | * | * | trans | -101.1 | 148.6 | -169.4 | -75.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 378 | E | 27.4 | Very low | 29.4 | Very low | 168 Ų | 168 | 143.5 Ų | 143.5 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | 41.1 | 113.7 | 137 | -57.2 | 169.9 | 108.3 | 0 | 0 | 119.3 | ||||
| 379 | L | 25.7 | Very low | 29.3 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | -174.9 | 127.1 | 97.4 | -97 | 164.3 | 0 | 0 | 0 | 114.3 | |||||
| 380 | S | 28.3 | Very low | 29 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | 38.4 | 107 | 148.4 | -59.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 381 | Q | 27.4 | Very low | 29 | Very low | 189 Ų | 189 | 143.5 Ų | 143.5 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -93.7 | 155.3 | 137.1 | -71.7 | -175.2 | -6.6 | 0 | 0 | 110.2 | ||||
| 382 | V | 26.9 | Very low | 29.7 | Very low | 142 Ų | 142 | 140 Ų | 140 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -135.1 | 130.5 | 158.6 | 178.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 383 | E | 27.3 | Very low | 29.6 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 67% | 0.668 | 81% | 0.807 | S | S | * | * | trans | -75.2 | 158.2 | -177.5 | -62 | 165.4 | 70.8 | 0 | 0 | 112.8 | ||||
| 384 | L | 26.7 | Very low | 29.1 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | -172.1 | 103.8 | 111.6 | -98.4 | 163.9 | 0 | 0 | 0 | 113.6 | |||||
| 385 | Q | 29.2 | Very low | 29.5 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | 16.4 | 148.6 | 145.4 | -57.6 | 178.7 | 4.6 | 0 | 0 | 123.4 | ||||
| 386 | A | 25.8 | Very low | 30.2 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 88% | 0.884 | 80% | 0.801 | S | S | * | * | trans | 106 | 137.6 | 146.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 387 | A | 25.3 | Very low | 30.3 | Very low | 94 Ų | 94 | 136.8 Ų | 136.8 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | -134.6 | -167.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 388 | P | 48.5 | Very low | 31.7 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | cis | -134.7 | -177 | -3.3 | 42.1 | -24.7 | 0 | 0 | 0 | 114.6 | ||||
| 389 | E | 26.5 | Very low | 32.9 | Very low | 185 Ų | 185 | 134 Ų | 134 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | 177 | 158.2 | 119.7 | -96.8 | -165.9 | 133.2 | 0 | 0 | 114.4 | |||||
| 390 | A | 27.6 | Very low | 34.2 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | trans | 58.4 | 107 | 157.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 391 | L | 28.3 | Very low | 34.5 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | -88.1 | 155.9 | 146.3 | -71.4 | 172.7 | 0 | 0 | 0 | 108.9 | ||||
| 392 | P | 44 | Very low | 34.8 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | -152.1 | 144.9 | 74.7 | 37.8 | -16.6 | 0 | 0 | 0 | 119.4 | |||||
| 393 | V | 28 | Very low | 35.7 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 32 | 121.8 | 132.1 | -167.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 394 | S | 28.2 | Very low | 36.9 | Very low | 116 Ų | 116 | 129 Ų | 129 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | 167.5 | 148.4 | 124.8 | -74.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 395 | S | 34.7 | Very low | 37 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -123.6 | 156.7 | 164.6 | -51 | 0 | 0 | 0 | 0 | 109 | ||||
| 396 | P | 44.1 | Very low | 37.1 | Very low | 135 Ų | 135 | 123.4 Ų | 123.4 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | -154.8 | -175.6 | 86.2 | 40.4 | -19.5 | 0 | 0 | 0 | 117.2 | |||||
| 397 | E | 29.2 | Very low | 37.3 | Very low | 179 Ų | 179 | 126.5 Ų | 126.5 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -83.9 | -172 | 172.9 | -115.7 | -168.3 | 109.3 | 0 | 0 | 113.6 | ||||
| 398 | P | 56 | Low | 37.5 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | cis | -123.9 | -118.6 | -15.8 | 36.8 | -16.4 | 0 | 0 | 0 | 110.5 | ||||
| 399 | P | 52.9 | Low | 37.4 | Very low | 110 Ų | 110 | 126 Ų | 126 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | -106 | -145.1 | -62.4 | 41 | -24.8 | 0 | 0 | 0 | 110.5 | |||||
| 400 | P | 53.9 | Low | 37.5 | Very low | 126 Ų | 126 | 123 Ų | 123 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | cis | -131.4 | -151.4 | -14.5 | 43.1 | -23.1 | 0 | 0 | 0 | 114 | ||||
| 401 | A | 34 | Very low | 37.6 | Very low | 89 Ų | 89 | 125 Ų | 125 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -153.5 | 172.5 | -179 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 402 | L | 33.6 | Very low | 37.7 | Very low | 169 Ų | 169 | 126.6 Ų | 126.6 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | 75.5 | 165.7 | 169.8 | -53.1 | 179.7 | 0 | 0 | 0 | 117.7 | ||||
| 403 | P | 45.8 | Very low | 36.9 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | cis | -123.8 | -126.6 | -2.6 | 26.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 404 | P | 52.7 | Low | 36.8 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | -124.9 | -165.6 | -107.6 | 43 | -25.3 | 0 | 0 | 0 | 116.5 | |||||
| 405 | A | 29.6 | Very low | 36.8 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -114 | 165.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 406 | A | 30.9 | Very low | 36.6 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | 170.2 | 145.4 | 135.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 407 | D | 29.3 | Very low | 36.7 | Very low | 172 Ų | 172 | 127.6 Ų | 127.6 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | trans | -161.9 | 156.5 | 140.2 | -127.3 | -28.7 | 0 | 0 | 0 | 112.1 | ||||
| 408 | A | 29.6 | Very low | 36.5 | Very low | 79 Ų | 79 | 125.6 Ų | 125.6 | 65% | 0.653 | 80% | 0.796 | S | S | * | * | trans | -133.3 | 174.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 409 | P | 46 | Very low | 35.2 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | -137.2 | 155.4 | 78.7 | 10.3 | 15.8 | 0 | 0 | 0 | 114.2 | |||||
| 410 | V | 29.8 | Very low | 34.3 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | 59.3 | 116.7 | 78 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 411 | T | 29.5 | Very low | 33.3 | Very low | 139 Ų | 139 | 125.9 Ų | 125.9 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | -137.6 | 163.8 | 74.8 | 43.3 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 412 | Q | 29.7 | Very low | 33.3 | Very low | 199 Ų | 199 | 129.1 Ų | 129.1 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -103.4 | 164 | 178 | -63.5 | 166.4 | -32.3 | 0 | 0 | 111.6 | ||||
| 413 | G | 26.9 | Very low | 33 | Very low | 84 Ų | 84 | 126.1 Ų | 126.1 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -179.6 | 82.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 414 | E | 27.4 | Very low | 32.1 | Very low | 183 Ų | 183 | 125.1 Ų | 125.1 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -89.6 | 150.2 | -176.3 | -174.3 | -173.6 | 145.3 | 0 | 0 | 113.1 | ||||
| 415 | V | 28.1 | Very low | 30.9 | Very low | 139 Ų | 139 | 126.7 Ų | 126.7 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | trans | 175.6 | 156.2 | 141.5 | 147.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 416 | V | 28.8 | Very low | 31 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -151.5 | 159.2 | -158.4 | 156.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 417 | P | 47 | Very low | 30.8 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 66% | 0.656 | 77% | 0.769 | S | S | * | * | cis | -134 | -162.8 | 10.7 | 40.8 | -20.5 | 0 | 0 | 0 | 116.7 | ||||
| 418 | T | 25.3 | Very low | 31 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | 69 | 147.8 | 155.4 | 43.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 419 | G | 27.6 | Very low | 31.5 | Very low | 69 Ų | 69 | 129.8 Ų | 129.8 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | cis | 169.1 | 168.5 | 0.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 420 | S | 34.6 | Very low | 31 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -165.3 | 175.8 | 3.6 | -61 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 421 | E | 34.2 | Very low | 31.6 | Very low | 168 Ų | 168 | 130.2 Ų | 130.2 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | 71 | 148.3 | 160.2 | -60.6 | -169.1 | 112.2 | 0 | 0 | 117.4 | ||||
| 422 | Q | 33.8 | Very low | 31.6 | Very low | 158 Ų | 158 | 128 Ų | 128 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | cis | -166.8 | 156.3 | -3.4 | -114.7 | -173 | 47.6 | 0 | 0 | 105.7 | ||||
| 423 | T | 27.5 | Very low | 31.8 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | cis | -146.2 | -166.8 | -5.8 | 51 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 424 | T | 26.8 | Very low | 31.7 | Very low | 97 Ų | 97 | 124.2 Ų | 124.2 | 60% | 0.595 | 76% | 0.76 | S | S | * | * | cis | -154.5 | -178.9 | 0.5 | -15.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 425 | E | 27.1 | Very low | 32.2 | Very low | 162 Ų | 162 | 124.7 Ų | 124.7 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | 23.9 | 117 | 148.9 | -70.2 | 143 | -142.1 | 0 | 0 | 120.2 | ||||
| 426 | S | 30.6 | Very low | 32.2 | Very low | 97 Ų | 97 | 125.1 Ų | 125.1 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | 81.8 | 137.3 | 62.2 | -69.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 427 | E | 27.2 | Very low | 32.3 | Very low | 177 Ų | 177 | 124.1 Ų | 124.1 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | cis | -157.8 | 157.1 | 5.6 | -127.5 | 157.8 | -149.9 | 0 | 0 | 112.8 | ||||
| 428 | T | 33.6 | Very low | 31.7 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | -116.9 | 156.3 | 161.4 | -24.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 429 | P | 39.8 | Very low | 32.4 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | -152.3 | 163 | 98.1 | 38.8 | -21.5 | 0 | 0 | 0 | 116.6 | |||||
| 430 | V | 35.6 | Very low | 33.3 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | trans | -92.4 | 155.8 | 158.5 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 431 | P | 42.7 | Very low | 33.2 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | -129.4 | 164.5 | 133.2 | 36.4 | -28.1 | 0 | 0 | 0 | 112.9 | ||||
| 432 | A | 28.7 | Very low | 33.2 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -111 | 169.6 | -154.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 433 | A | 34.6 | Very low | 33.4 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | 69.4 | 106.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 434 | A | 25.7 | Very low | 33.7 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -153.1 | 151.5 | 138 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 435 | E | 36.3 | Very low | 34.3 | Very low | 192 Ų | 192 | 138.1 Ų | 138.1 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -85.3 | 131.7 | 170.1 | -59.5 | 170.8 | 113.8 | 0 | 0 | 110.4 | ||||
| 436 | T | 28.5 | Very low | 35.1 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 91% | 0.908 | 79% | 0.793 | S | S | * | * | trans | -164.1 | 141.2 | 148.9 | 39.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 437 | A | 31.4 | Very low | 35.2 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -108.2 | 131.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 438 | D | 34.5 | Very low | 35.3 | Very low | 132 Ų | 132 | 139 Ų | 139 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -157.3 | 148.8 | 162.1 | -150.8 | 13.5 | 0 | 0 | 0 | 104.9 | L440 | D438-L440 PolarHBondContact OD1-N 3.15Š| ||
| 439 | P | 39.3 | Very low | 35.1 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | -133.8 | 138.7 | 60.4 | 34.8 | -17.8 | 0 | 0 | 0 | 115.7 | F441 | P439-F441 PolarHBondContact O-N 3.38Š| |||
| 440 | L | 47.8 | Very low | 34.7 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | trans | -57.4 | 120.4 | 156.3 | -71.9 | 168.8 | 0 | 0 | 0 | 112 | D438 | D438-L440 PolarHBondContact OD1-N 3.15Š| ||
| 441 | F | 32.2 | Very low | 34.6 | Very low | 205 Ų | 205 | 150 Ų | 150 | 90% | 0.899 | 82% | 0.821 | S | S | * | * | trans | -150 | 109.5 | 156.9 | -114.9 | -82.8 | 0 | 0 | 0 | 110.8 | P439 | P439-F441 PolarHBondContact O-N 3.38Š| ||
| 442 | Y | 33.8 | Very low | 33.9 | Very low | 199 Ų | 199 | 153.9 Ų | 153.9 | 78% | 0.78 | 83% | 0.825 | S | S | * | * | trans | -147.8 | 141.1 | 171.1 | -140.5 | -91.7 | 0 | 0 | 0 | 110.5 | ||||
| 443 | P | 37.8 | Very low | 34 | Very low | 96 Ų | 96 | 154.4 Ų | 154.4 | 62% | 0.623 | 83% | 0.829 | S | S | * | * | trans | -69 | 159.4 | -171 | -24.6 | 36.9 | 0 | 0 | 0 | 116.5 | W445 | P443-W445 PolarHBondContact O-N 2.99Š| ||
| 444 | S | 34.4 | Very low | 33.6 | Very low | 121 Ų | 121 | 156.2 Ų | 156.2 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 27.4 | -153.6 | 60.8 | 0 | 0 | 0 | 0 | 117.3 | Y446 | S444-Y446 VanDerWaalsContact C-N 3.34Š|
| 445 | W | 39.5 | Very low | 33.8 | Very low | 213 Ų | 213 | 157 Ų | 157 | 81% | 0.807 | 83% | 0.825 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -17.2 | 176 | 65.6 | -93.6 | 0 | 0 | 0 | 113.4 | P443 K447 | P443-W445 PolarHBondContact O-N 2.99Å; W445-K447 PolarHBondContact O-N 2.9Å |
| 446 | Y | 42.3 | Very low | 33.3 | Very low | 186 Ų | 186 | 155.5 Ų | 155.5 | 73% | 0.729 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -97.7 | 60.9 | -174.6 | -158.4 | -94.5 | 0 | 0 | 0 | 114 | S444 | S444-Y446 VanDerWaalsContact C-N 3.34Š|
| 447 | K | 32.8 | Very low | 33.6 | Very low | 193 Ų | 193 | 153.7 Ų | 153.7 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | S | Bend | trans | 178.3 | 124.7 | 146 | -103.6 | 158.6 | -175.1 | 173.1 | 0 | 113.8 | W445 | W445-K447 PolarHBondContact O-N 2.9Š|
| 448 | G | 30.9 | Very low | 33.5 | Very low | 76 Ų | 76 | 154 Ų | 154 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | 112.2 | 88 | 144.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 449 | Q | 27.7 | Very low | 33.1 | Very low | 206 Ų | 206 | 154.1 Ų | 154.1 | 96% | 0.963 | 82% | 0.817 | S | S | * | * | trans | -128.6 | 98.2 | 144.4 | -124.5 | 178.5 | 13.2 | 0 | 0 | 109.9 | ||||
| 450 | T | 31.4 | Very low | 32.7 | Very low | 136 Ų | 136 | 154.6 Ų | 154.6 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | -80.1 | 148.3 | 172.9 | 41.4 | 0 | 0 | 0 | 0 | 110.8 | K452 | T450-K452 PolarHBondContact O-N 3.03Š| ||
| 451 | R | 35.3 | Very low | 32.7 | Very low | 251 Ų | 251 | 153.5 Ų | 153.5 | 95% | 0.947 | 82% | 0.82 | S | S | * | * | trans | -47.9 | 130.5 | -175.8 | -66.6 | 172.4 | 170.8 | 167.9 | -5.3 | 113.5 | ||||
| 452 | K | 27.7 | Very low | 32.4 | Very low | 210 Ų | 210 | 147 Ų | 147 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | trans | -130.1 | 139.1 | 141.5 | -91.4 | -172.4 | 175.4 | 178.9 | 0 | 108.8 | T450 | T450-K452 PolarHBondContact O-N 3.03Š| ||
| 453 | A | 30.2 | Very low | 32.2 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -88 | 142.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 454 | T | 26.5 | Very low | 31.7 | Very low | 141 Ų | 141 | 147.5 Ų | 147.5 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | trans | -123.1 | 132.6 | 155.3 | -56 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 455 | T | 30 | Very low | 31.3 | Very low | 119 Ų | 119 | 145 Ų | 145 | 73% | 0.73 | 82% | 0.816 | S | S | * | * | trans | -76.2 | 144.3 | -170.1 | 48.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 456 | N | 24.7 | Very low | 30.8 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -159.7 | 165.3 | 134.3 | -99.2 | -26 | 0 | 0 | 0 | 110.1 | ||||
| 457 | P | 35.3 | Very low | 30 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 71% | 0.714 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 158.5 | -139.3 | 32.9 | -37.9 | 0 | 0 | 0 | 116.1 | ||
| 458 | P | 29.8 | Very low | 29.9 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 72% | 0.721 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -83 | 145.6 | 171.3 | 34.5 | -33.7 | 0 | 0 | 0 | 112.3 | ||
| 459 | C | 25.8 | Very low | 29.8 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 91% | 0.905 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 119.9 | 154.1 | -71.9 | 0 | 0 | 0 | 0 | 108.1 | ||
| 460 | T | 31.4 | Very low | 29.8 | Very low | 124 Ų | 124 | 135 Ų | 135 | 76% | 0.761 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 138 | -179.8 | 47.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 461 | P | 47.4 | Very low | 30.9 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 164 | 160.6 | 34.9 | -34.3 | 0 | 0 | 0 | 110.8 | ||
| 462 | G | 25.8 | Very low | 31.3 | Very low | 69 Ų | 69 | 128.7 Ų | 128.7 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | 162.7 | 98.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 463 | S | 28.8 | Very low | 31.1 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | 43.4 | 119.5 | 139.8 | 63.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 464 | E | 27.6 | Very low | 31 | Very low | 203 Ų | 203 | 122 Ų | 122 | 95% | 0.949 | 79% | 0.791 | S | S | * | * | 57.7 | 147.5 | 124.7 | -55.2 | -173.3 | 119.4 | 0 | 0 | 122.6 | |||||
| 465 | G | 27.6 | Very low | 31.2 | Very low | 69 Ų | 69 | 123.7 Ų | 123.7 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | 155.3 | 51.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 466 | L | 28.8 | Very low | 31.1 | Very low | 185 Ų | 185 | 124.1 Ų | 124.1 | 97% | 0.969 | 79% | 0.787 | S | S | * | * | trans | 61.7 | 148.7 | 154 | -57.4 | 167.3 | 0 | 0 | 0 | 120.5 | ||||
| 467 | G | 25.6 | Very low | 31.3 | Very low | 71 Ų | 71 | 121.3 Ų | 121.3 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | 121.7 | 50.7 | 131 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 468 | Q | 30.7 | Very low | 30.9 | Very low | 185 Ų | 185 | 122.6 Ų | 122.6 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | 60.1 | 156.9 | 128.2 | -146.2 | -179.2 | 88.8 | 0 | 0 | 122.1 | |||||
| 469 | I | 28.1 | Very low | 30.9 | Very low | 158 Ų | 158 | 122.4 Ų | 122.4 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | 86.3 | 145.2 | 167 | -49.9 | 170.3 | 0 | 0 | 0 | 115.6 | ||||
| 470 | G | 27.8 | Very low | 31.2 | Very low | 64 Ų | 64 | 123.4 Ų | 123.4 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | trans | -107.9 | -162.9 | -166 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 471 | P | 54 | Low | 31.2 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -85.9 | 164.4 | -164.3 | 38.4 | -39.6 | 0 | 0 | 0 | 113.6 | ||||
| 472 | P | 43.2 | Very low | 30.6 | Very low | 129 Ų | 129 | 122.5 Ų | 122.5 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | -155.1 | 175.4 | 94 | 42 | -24.3 | 0 | 0 | 0 | 116.9 | |||||
| 473 | G | 24.2 | Very low | 30.8 | Very low | 68 Ų | 68 | 126 Ų | 126 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | 83.5 | 132.6 | 153.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 474 | S | 29.1 | Very low | 30.9 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | 93.9 | 140.3 | 28.7 | 77.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 475 | E | 28.8 | Very low | 31.1 | Very low | 176 Ų | 176 | 122.3 Ų | 122.3 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | 68.8 | 144 | 163.3 | -66.4 | 174.1 | 150.2 | 0 | 0 | 117.2 | ||||
| 476 | D | 27.9 | Very low | 31.1 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 69% | 0.69 | 75% | 0.751 | S | S | * | * | cis | -164.1 | 168.7 | -23.3 | -153.5 | -74.5 | 0 | 0 | 0 | 109.4 | ||||
| 477 | S | 30.6 | Very low | 31.2 | Very low | 99 Ų | 99 | 119.4 Ų | 119.4 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | trans | 69.3 | 157 | 146.7 | -82.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 478 | N | 27 | Very low | 31.6 | Very low | 138 Ų | 138 | 120.3 Ų | 120.3 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | cis | -176 | -177.6 | -19.2 | -174.5 | -5.7 | 0 | 0 | 0 | 107.3 | ||||
| 479 | V | 29.6 | Very low | 31.6 | Very low | 107 Ų | 107 | 118.3 Ų | 118.3 | 65% | 0.648 | 75% | 0.746 | S | S | * | * | trans | 79.4 | 126.1 | 158.3 | 178.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 480 | Q | 31.7 | Very low | 31.8 | Very low | 155 Ų | 155 | 116 Ų | 116 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | cis | -164.3 | 153.2 | -7.2 | -116.1 | 178.7 | 16 | 0 | 0 | 112.5 | ||||
| 481 | K | 30.3 | Very low | 31.9 | Very low | 162 Ų | 162 | 120.2 Ų | 120.2 | 70% | 0.704 | 75% | 0.746 | S | S | * | * | trans | 55 | 154.5 | 144.3 | -75.5 | -155.5 | 166.6 | -134.6 | 0 | 121.9 | E483 | K481-E483 WeakPolarHBondContact CE-OE2 3.18Å; K481-E483 IonicContact NZ-OE1 3.94Å; K481-E483 IonicContact NZ-OE2 2.95Å; K481-E483 PolarHBondContact NZ-OE2 3.5Å | ||
| 482 | A | 35.9 | Very low | 30.8 | Very low | 74 Ų | 74 | 123.9 Ų | 123.9 | 61% | 0.612 | 74% | 0.744 | S | S | * | * | cis | 178.6 | -176.9 | -16.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 483 | E | 30.1 | Very low | 30.2 | Very low | 144 Ų | 144 | 122 Ų | 122 | 67% | 0.673 | 74% | 0.739 | S | S | * | * | cis | -135 | -133.6 | -6 | -129.9 | 129.3 | 62 | 0 | 0 | 106.4 | K481 | K481-E483 WeakPolarHBondContact CE-OE2 3.18Å; K481-E483 IonicContact NZ-OE1 3.94Å; K481-E483 IonicContact NZ-OE2 2.95Å; K481-E483 PolarHBondContact NZ-OE2 3.5Å | ||
| 484 | V | 29.8 | Very low | 30.5 | Very low | 128 Ų | 128 | 123 Ų | 123 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | cis | -156.8 | 149.6 | -2.5 | -139.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 485 | A | 31.6 | Very low | 30.5 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | 60.7 | 147.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 486 | A | 29.3 | Very low | 30.5 | Very low | 93 Ų | 93 | 122.2 Ų | 122.2 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | cis | -172.3 | 153.7 | -20.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 487 | A | 30.4 | Very low | 30.5 | Very low | 99 Ų | 99 | 119.7 Ų | 119.7 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | 55.7 | 139.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 488 | A | 34.3 | Very low | 30.5 | Very low | 91 Ų | 91 | 123.5 Ų | 123.5 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | cis | 82.5 | 139.5 | 34 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 489 | T | 30.5 | Very low | 30.5 | Very low | 143 Ų | 143 | 123.5 Ų | 123.5 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | cis | -154.6 | 175.6 | 17.4 | -27.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 490 | S | 31.6 | Very low | 30.4 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | -84.3 | 155 | -174.9 | -42.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 491 | E | 30.9 | Very low | 30.2 | Very low | 152 Ų | 152 | 121.7 Ų | 121.7 | 71% | 0.71 | 76% | 0.757 | S | S | * | * | 168.7 | 153.9 | 118.9 | -99.1 | -147.7 | 111.7 | 0 | 0 | 116.7 | |||||
| 492 | R | 30.6 | Very low | 30.2 | Very low | 204 Ų | 204 | 118.7 Ų | 118.7 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | 67.4 | 113.4 | 144.4 | -76.3 | 176 | -168.9 | -134.1 | -3 | 125.7 | ||||
| 493 | A | 30 | Very low | 30.7 | Very low | 89 Ų | 89 | 121.6 Ų | 121.6 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | 87.4 | 118.9 | 107.6 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 494 | A | 29.9 | Very low | 30.6 | Very low | 90 Ų | 90 | 119.5 Ų | 119.5 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | 84.3 | 113.8 | 120.5 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 495 | V | 29.6 | Very low | 30.6 | Very low | 135 Ų | 135 | 118 Ų | 118 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | 78.4 | 112.9 | 125.2 | 178.3 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 496 | S | 28.2 | Very low | 30.4 | Very low | 128 Ų | 128 | 119.4 Ų | 119.4 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | 63.1 | 144.4 | 141.7 | -158.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 497 | G | 27.7 | Very low | 30.3 | Very low | 75 Ų | 75 | 120.8 Ų | 120.8 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 156.5 | 119.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 498 | K | 31.8 | Very low | 30.6 | Very low | 180 Ų | 180 | 125 Ų | 125 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -128.1 | 150.9 | -175.6 | -169.2 | -153.3 | 169.2 | -155 | 0 | 109.7 | ||||
| 499 | E | 27 | Very low | 30.5 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 65% | 0.645 | 79% | 0.791 | S | S | * | * | trans | 115 | 139.6 | 150.9 | -55.9 | -159 | 148.3 | 0 | 0 | 120.6 | ||||
| 500 | T | 27.6 | Very low | 30.5 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | trans | 66.5 | 92.2 | 147.9 | 46.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 501 | S | 27.1 | Very low | 30.4 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | 63.6 | 123.1 | 114.6 | 65.7 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 502 | A | 31.1 | Very low | 30.3 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | 72.2 | 156.6 | 146.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 503 | P | 46.3 | Very low | 30.4 | Very low | 136 Ų | 136 | 122.9 Ų | 122.9 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | cis | -125.7 | -159.3 | 44.6 | 40.6 | -24.4 | 0 | 0 | 0 | 115.2 | ||||
| 504 | A | 28.3 | Very low | 31.6 | Very low | 100 Ų | 100 | 124.4 Ų | 124.4 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | -133.9 | 169.6 | -163.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 505 | A | 28.7 | Very low | 33.2 | Very low | 95 Ų | 95 | 125.2 Ų | 125.2 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -163.4 | 168.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 506 | T | 28.1 | Very low | 33.3 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | cis | -173.5 | 120.6 | -44.1 | -85.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 507 | S | 27.6 | Very low | 33.7 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -178.6 | 134.5 | 153.5 | -84.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 508 | Q | 35.7 | Very low | 33.8 | Very low | 186 Ų | 186 | 128.1 Ų | 128.1 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | -161.1 | 150.4 | 170.1 | -100.5 | -164.3 | -2.1 | 0 | 0 | 112 | ||||
| 509 | I | 32.3 | Very low | 34 | Very low | 158 Ų | 158 | 128.8 Ų | 128.8 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -150.7 | 137.2 | 146.7 | -50.6 | 179.2 | 0 | 0 | 0 | 104.8 | F511 | I509-F511 HydrophobicContact CG2-CD2 3.98Å; I509-F511 HydrophobicContact CG2-CE2 4.26Å | ||
| 510 | G | 30.7 | Very low | 34.2 | Very low | 65 Ų | 65 | 126.6 Ų | 126.6 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | cis | -160.4 | -151.2 | -5.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 511 | F | 29.8 | Very low | 34.4 | Very low | 180 Ų | 180 | 126.1 Ų | 126.1 | 79% | 0.789 | 80% | 0.797 | S | S | * | * | cis | -145.2 | -113.9 | -3.2 | -143.5 | -87.1 | 0 | 0 | 0 | 109.8 | I509 | I509-F511 HydrophobicContact CG2-CD2 3.98Å; I509-F511 HydrophobicContact CG2-CE2 4.26Å | ||
| 512 | E | 29.4 | Very low | 34.6 | Very low | 161 Ų | 161 | 125.5 Ų | 125.5 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -116.6 | 117.9 | -170.1 | -71.4 | 172.5 | 114.2 | 0 | 0 | 115.4 | ||||
| 513 | A | 31 | Very low | 35.6 | Very low | 91 Ų | 91 | 126.5 Ų | 126.5 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | 38.2 | 165.6 | 111.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 514 | P | 56.2 | Low | 35 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | cis | -136.1 | -144.3 | -30.2 | 35 | -11.1 | 0 | 0 | 0 | 112.8 | ||||
| 515 | P | 64 | Low | 35.2 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | -130.2 | -159.7 | -90.7 | 43.6 | -24.7 | 0 | 0 | 0 | 115.6 | |||||
| 516 | L | 31.2 | Very low | 35.2 | Very low | 149 Ų | 149 | 124.4 Ų | 124.4 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | trans | 122 | 162.2 | 154.4 | -64.2 | 174 | 0 | 0 | 0 | 116.4 | ||||
| 517 | Q | 36.7 | Very low | 35.2 | Very low | 178 Ų | 178 | 125 Ų | 125 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | -170.1 | 133.7 | -58.1 | 179.6 | 165.6 | 10.2 | 0 | 0 | 112.4 | |||||
| 518 | G | 30.1 | Very low | 35.2 | Very low | 73 Ų | 73 | 122.8 Ų | 122.8 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | 76.3 | 174.9 | 162 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 519 | Q | 34.8 | Very low | 34.9 | Very low | 194 Ų | 194 | 118.9 Ų | 118.9 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | cis | -166.6 | 155.7 | -25.5 | -142.1 | -178.4 | 25.3 | 0 | 0 | 112.3 | ||||
| 520 | A | 32.4 | Very low | 34.8 | Very low | 91 Ų | 91 | 119 Ų | 119 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | 76 | 138.4 | 147.5 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 521 | A | 30.5 | Very low | 34.8 | Very low | 108 Ų | 108 | 122 Ų | 122 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | 84 | 154.2 | 141.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 522 | A | 32.1 | Very low | 34.8 | Very low | 94 Ų | 94 | 122.1 Ų | 122.1 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | trans | -122.3 | -159.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 523 | P | 51.2 | Low | 35.8 | Very low | 118 Ų | 118 | 119.3 Ų | 119.3 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | cis | -152.5 | 174.5 | 25.8 | 46.2 | -24.8 | 0 | 0 | 0 | 120.7 | ||||
| 524 | A | 34.3 | Very low | 35.7 | Very low | 91 Ų | 91 | 119.4 Ų | 119.4 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | 67.9 | 159.3 | 137.7 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 525 | S | 32 | Very low | 34.6 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | 74.7 | 147.5 | 171.7 | 73.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 526 | G | 29.3 | Very low | 32.9 | Very low | 66 Ų | 66 | 128.9 Ų | 128.9 | 68% | 0.68 | 82% | 0.821 | S | S | * | * | cis | 172.9 | 170.3 | -8.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 527 | S | 27.7 | Very low | 33 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 99% | 0.993 | 82% | 0.819 | S | S | * | * | trans | 68.1 | 167.8 | 172.8 | 84.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 528 | G | 27.3 | Very low | 32.5 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | trans | -173.3 | 179.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 529 | A | 29.3 | Very low | 32.4 | Very low | 103 Ų | 103 | 131 Ų | 131 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -157.5 | 157.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 530 | D | 32.1 | Very low | 32.2 | Very low | 160 Ų | 160 | 130.9 Ų | 130.9 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | -89.9 | 158 | -170.7 | -46.7 | -91.3 | 0 | 0 | 0 | 115.7 | ||||
| 531 | S | 28.8 | Very low | 32.2 | Very low | 129 Ų | 129 | 132 Ų | 132 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | -168.2 | 136.6 | 133.3 | 9.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 532 | E | 31 | Very low | 32.6 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -141.2 | 173.9 | 167.4 | -123.3 | -151.9 | 127.5 | 0 | 0 | 106.3 | ||||
| 533 | P | 49.9 | Very low | 32.7 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 67% | 0.669 | 82% | 0.82 | S | S | * | * | cis | -131.5 | 176.1 | -9.3 | 41 | -26.1 | 0 | 0 | 0 | 113.9 | ||||
| 534 | A | 29 | Very low | 32 | Very low | 92 Ų | 92 | 143 Ų | 143 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | -148 | 128.4 | 154.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 535 | R | 32.1 | Very low | 32.1 | Very low | 241 Ų | 241 | 144.4 Ų | 144.4 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | -108.6 | 128.5 | 176 | -69.7 | -176 | 177 | -165.9 | -1.1 | 110.4 | ||||
| 536 | H | 28.4 | Very low | 32.5 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | trans | -120.5 | 147.7 | 160.9 | -81.3 | -94.4 | 0 | 0 | 0 | 110.1 | ||||
| 537 | I | 33.2 | Very low | 32.8 | Very low | 143 Ų | 143 | 151 Ų | 151 | 73% | 0.733 | 84% | 0.836 | S | S | * | * | trans | -109.9 | 174.4 | 177.4 | -69.3 | 172.3 | 0 | 0 | 0 | 107.5 | ||||
| 538 | F | 26.7 | Very low | 33.1 | Very low | 200 Ų | 200 | 157.3 Ų | 157.3 | 88% | 0.877 | 85% | 0.85 | S | S | * | * | trans | 85.6 | 143.6 | -177.4 | -52.5 | -66.2 | 0 | 0 | 0 | 114.5 | ||||
| 539 | S | 27.9 | Very low | 33.4 | Very low | 101 Ų | 101 | 161.4 Ų | 161.4 | 71% | 0.706 | 85% | 0.853 | S | S | * | * | cis | -160.9 | 145.9 | -23.3 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 540 | F | 30.2 | Very low | 33.6 | Very low | 192 Ų | 192 | 164.4 Ų | 164.4 | 84% | 0.842 | 85% | 0.853 | S | S | * | * | trans | -94.3 | 105 | 174.3 | -76.1 | -79.6 | 0 | 0 | 0 | 110.6 | ||||
| 541 | S | 33.8 | Very low | 33.7 | Very low | 114 Ų | 114 | 164.7 Ų | 164.7 | 80% | 0.797 | 85% | 0.853 | S | S | * | * | trans | -84.5 | -4.1 | -177.3 | 51.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 542 | W | 37.5 | Very low | 34 | Very low | 245 Ų | 245 | 166.8 Ų | 166.8 | 93% | 0.928 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -103.9 | 27.8 | -170.7 | -133.2 | 65.3 | 0 | 0 | 0 | 114.6 | ||
| 543 | L | 34.9 | Very low | 34.2 | Very low | 150 Ų | 150 | 165.8 Ų | 165.8 | 79% | 0.785 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -116.7 | 6.6 | -178.6 | -123.3 | 163.4 | 0 | 0 | 0 | 113.9 | ||
| 544 | N | 36.3 | Very low | 33.1 | Very low | 155 Ų | 155 | 170 Ų | 170 | 83% | 0.829 | 86% | 0.862 | S | S | * | * | trans | -127.8 | 76.9 | 174.7 | -85.4 | -6 | 0 | 0 | 0 | 110.8 | ||||
| 545 | S | 37.3 | Very low | 33.4 | Very low | 121 Ų | 121 | 175.6 Ų | 175.6 | 85% | 0.846 | 87% | 0.869 | S | S | * | * | trans | -159.1 | 52.3 | 166.6 | -76.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 546 | L | 39.2 | Very low | 33.5 | Very low | 174 Ų | 174 | 170.5 Ų | 170.5 | 91% | 0.911 | 87% | 0.866 | S | S | * | * | S | Bend | trans | -154.8 | 38.6 | 177.5 | -114.3 | -179.5 | 0 | 0 | 0 | 112.8 | ||
| 547 | N | 37.2 | Very low | 34 | Very low | 162 Ų | 162 | 169.2 Ų | 169.2 | 87% | 0.866 | 87% | 0.866 | S | S | * | * | trans | -159 | 65.7 | 163.1 | -161.3 | 98 | 0 | 0 | 0 | 112.5 | ||||
| 548 | E | 33.4 | Very low | 34 | Very low | 273 Ų | 273 | 171.5 Ų | 171.5 | 100% | 1.276 | 88% | 0.879 | S | S | * | * | trans | -150.6 | 0 | 151.2 | -116.5 | 170 | -178 | 0 | 0 | 107.8 |
Retrieved 548 of 548 residues in 69.2 ms
(Link to these results)