| 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 | 65.1 | Low | 78.8 | Confident | 205 Ų | 205 | 156.8 Ų | 156.8 | 100% | 1.01 | 71% | 0.706 | S | S | * | * | 0 | -57 | 0 | -83.3 | -164 | -85.6 | 0 | 0 | 115.3 | K3 V4 M5 | M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.21Å; M1-V4 PolarHBondContact O-N 3Å; M1-M5 PolarHBondContact O-N 3.1Å; M1-M5 VanDerWaalsContact O-N 3.15Å | |||
| 2 | K | 71.3 | Confident | 78.5 | Confident | 195 Ų | 195 | 149.3 Ų | 149.3 | 85% | 0.848 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -55.2 | -38.2 | -175.4 | -74.1 | -178.1 | 177.7 | 176.2 | 0 | 115.2 | M5 K6 | K2-M5 PolarHBondContact O-N 2.79Å; K2-K6 WeakPolarHBondContact O-CB 3.43Å; K2-K6 PolarHBondContact O-N 3.35Å; K2-K6 VanDerWaalsContact O-N 3.08Å |
| 3 | K | 78.9 | Confident | 77.8 | Confident | 183 Ų | 183 | 149.1 Ų | 149.1 | 80% | 0.796 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -65.3 | -47.3 | -179.7 | -146.5 | 177.2 | -175.7 | -177.2 | 0 | 112.1 | M1 M5 K6 E7 | M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.21Å; K3-M5 VanDerWaalsContact C-N 3.34Å; K3-M5 PolarHBondContact O-N 2.98Å; K3-K6 PolarHBondContact O-N 3.41Å; K3-E7 PolarHBondContact O-N 2.82Å |
| 4 | V | 84.1 | Confident | 76.8 | Confident | 103 Ų | 103 | 148.9 Ų | 148.9 | 62% | 0.624 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -60 | -42.8 | 175.8 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | M1 K6 E7 Y8 | M1-V4 PolarHBondContact O-N 3Å; V4-K6 PolarHBondContact O-N 3.37Å; V4-E7 PolarHBondContact O-N 2.77Å; V4-Y8 WeakPolarHBondContact O-CB 3.29Å; V4-Y8 PolarHBondContact O-N 2.78Å |
| 5 | M | 81.8 | Confident | 75 | Confident | 108 Ų | 108 | 146.1 Ų | 146.1 | 53% | 0.532 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -66.8 | -38.6 | 179.8 | -157.4 | 60 | 62.8 | 0 | 0 | 112.4 | M1 K2 K3 E7 Y8 Q9 | M1-M5 PolarHBondContact O-N 3.1Å; M1-M5 VanDerWaalsContact O-N 3.15Å; K2-M5 PolarHBondContact O-N 2.79Å; K3-M5 VanDerWaalsContact C-N 3.34Å; K3-M5 PolarHBondContact O-N 2.98Å; M5-E7 VanDerWaalsContact C-N 3.34Å; M5-Y8 PolarHBondContact O-N 3.09Å; M5-Q9 WeakPolarHBondContact O-CB 3.4Å; M5-Q9 WeakPolarHBondContact O-CG 3.25Å; M5-Q9 PolarHBondContact O-N 3.1Å |
| 6 | K | 83.6 | Confident | 73.7 | Confident | 158 Ų | 158 | 145.8 Ų | 145.8 | 69% | 0.687 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67.2 | -37.3 | 177.1 | -157 | 174.5 | -172.2 | 179.5 | 0 | 111.5 | K2 K3 V4 K10 | K2-K6 WeakPolarHBondContact O-CB 3.43Å; K2-K6 PolarHBondContact O-N 3.35Å; K2-K6 VanDerWaalsContact O-N 3.08Å; K3-K6 PolarHBondContact O-N 3.41Å; V4-K6 PolarHBondContact O-N 3.37Å; K6-K10 WeakPolarHBondContact O-CB 3.42Å; K6-K10 PolarHBondContact O-N 3.17Å |
| 7 | E | 84.7 | Confident | 72.7 | Confident | 137 Ų | 137 | 142 Ų | 142 | 64% | 0.64 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.4 | -41.2 | 177 | -163 | 157 | -152.7 | 0 | 0 | 111.9 | K3 V4 M5 K10 R11 | K3-E7 PolarHBondContact O-N 2.82Å; V4-E7 PolarHBondContact O-N 2.77Å; M5-E7 VanDerWaalsContact C-N 3.34Å; E7-K10 PolarHBondContact O-N 3.17Å; E7-R11 WeakPolarHBondContact O-CB 3.29Å; E7-R11 PolarHBondContact O-N 3.37Å |
| 8 | Y | 83.6 | Confident | 71.1 | Confident | 152 Ų | 152 | 139.5 Ų | 139.5 | 60% | 0.596 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -60.1 | -48.8 | 170.8 | -175.6 | -97.6 | 0 | 0 | 0 | 111.5 | V4 M5 K10 R11 V12 | V4-Y8 WeakPolarHBondContact O-CB 3.29Å; V4-Y8 PolarHBondContact O-N 2.78Å; M5-Y8 PolarHBondContact O-N 3.09Å; Y8-K10 VanDerWaalsContact C-N 3.31Å; Y8-K10 PolarHBondContact O-N 2.91Å; Y8-R11 PolarHBondContact O-N 2.72Å; Y8-R11 VanDerWaalsContact O-N 3.14Å; Y8-V12 HydrophobicContact CD1-CG2 3.9Å; Y8-V12 HydrophobicContact CD2-CG2 4.45Å; Y8-V12 HydrophobicContact CE1-CG2 3.53Å; Y8-V12 HydrophobicContact CE2-CG2 4.12Å; Y8-V12 HydrophobicContact CG-CG2 4.35Å; Y8-V12 WeakPolarHBondContact O-CB 3.35Å; Y8-V12 WeakPolarHBondContact O-CG2 3.47Å; Y8-V12 PolarHBondContact O-N 3.49Å |
| 9 | Q | 79.9 | Confident | 69.7 | Low | 129 Ų | 129 | 137.3 Ų | 137.3 | 60% | 0.603 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59.4 | -40.2 | 175.4 | -78.2 | -174.8 | -21.3 | 0 | 0 | 112.2 | M5 K13 | M5-Q9 WeakPolarHBondContact O-CB 3.4Å; M5-Q9 WeakPolarHBondContact O-CG 3.25Å; M5-Q9 PolarHBondContact O-N 3.1Å; Q9-K13 WeakPolarHBondContact O-CB 3.29Å; Q9-K13 PolarHBondContact O-N 2.9Å |
| 10 | K | 79.4 | Confident | 68.5 | Low | 164 Ų | 164 | 135.6 Ų | 135.6 | 71% | 0.713 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.1 | -41.2 | 176.3 | -160.6 | 178.6 | -173.9 | -176.5 | 0 | 111.1 | K6 E7 Y8 K14 | K6-K10 WeakPolarHBondContact O-CB 3.42Å; K6-K10 PolarHBondContact O-N 3.17Å; E7-K10 PolarHBondContact O-N 3.17Å; Y8-K10 VanDerWaalsContact C-N 3.31Å; Y8-K10 PolarHBondContact O-N 2.91Å; K10-K14 VanDerWaalsContact O-CB 3.26Å; K10-K14 WeakPolarHBondContact O-CB 3.42Å; K10-K14 PolarHBondContact O-N 3.15Å |
| 11 | R | 74.3 | Confident | 67.5 | Low | 191 Ų | 191 | 135 Ų | 135 | 72% | 0.721 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.8 | -46.6 | 178.9 | -155.6 | 171.9 | -178.5 | -179.1 | -0.8 | 111.3 | E7 Y8 K14 L15 | E7-R11 WeakPolarHBondContact O-CB 3.29Å; E7-R11 PolarHBondContact O-N 3.37Å; Y8-R11 PolarHBondContact O-N 2.72Å; Y8-R11 VanDerWaalsContact O-N 3.14Å; R11-K14 PolarHBondContact O-N 2.85Å; R11-L15 WeakPolarHBondContact O-CB 3.41Å; R11-L15 PolarHBondContact O-N 3.38Å |
| 12 | V | 75.9 | Confident | 66.9 | Low | 66 Ų | 66 | 129.4 Ų | 129.4 | 40% | 0.4 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61.2 | -45.4 | 174.3 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | Y8 K14 L15 F16 | Y8-V12 HydrophobicContact CD1-CG2 3.9Å; Y8-V12 HydrophobicContact CD2-CG2 4.45Å; Y8-V12 HydrophobicContact CE1-CG2 3.53Å; Y8-V12 HydrophobicContact CE2-CG2 4.12Å; Y8-V12 HydrophobicContact CG-CG2 4.35Å; Y8-V12 WeakPolarHBondContact O-CB 3.35Å; Y8-V12 WeakPolarHBondContact O-CG2 3.47Å; Y8-V12 PolarHBondContact O-N 3.49Å; V12-K14 VanDerWaalsContact C-N 3.33Å; V12-K14 PolarHBondContact O-N 3.4Å; V12-L15 PolarHBondContact O-N 2.94Å; V12-F16 VanDerWaalsContact O-CB 3.27Å; V12-F16 WeakPolarHBondContact O-CB 3.42Å; V12-F16 PolarHBondContact O-N 3.42Å |
| 13 | K | 69.5 | Low | 65.8 | Low | 147 Ų | 147 | 126.2 Ų | 126.2 | 64% | 0.639 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.8 | -39.1 | 177.4 | -165 | 174.6 | -173.4 | 179.7 | 0 | 111.7 | Q9 F16 I17 | Q9-K13 WeakPolarHBondContact O-CB 3.29Å; Q9-K13 PolarHBondContact O-N 2.9Å; K13-F16 PolarHBondContact O-N 2.81Å; K13-I17 HydrophobicContact CG-CD1 4.18Å; K13-I17 WeakPolarHBondContact O-CB 3.39Å; K13-I17 WeakPolarHBondContact O-CD1 3.28Å; K13-I17 WeakPolarHBondContact O-CG1 3.32Å; K13-I17 PolarHBondContact O-N 2.89Å |
| 14 | K | 63 | Low | 64.4 | Low | 146 Ų | 146 | 126.8 Ų | 126.8 | 64% | 0.635 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67 | -41.4 | 175.1 | -164.7 | 173.1 | -174.6 | -177.9 | 0 | 111.9 | K10 R11 V12 F16 I17 N18 | K10-K14 VanDerWaalsContact O-CB 3.26Å; K10-K14 WeakPolarHBondContact O-CB 3.42Å; K10-K14 PolarHBondContact O-N 3.15Å; R11-K14 PolarHBondContact O-N 2.85Å; V12-K14 VanDerWaalsContact C-N 3.33Å; V12-K14 PolarHBondContact O-N 3.4Å; K14-F16 VanDerWaalsContact C-N 3.33Å; K14-I17 PolarHBondContact O-N 3.25Å; K14-N18 WeakPolarHBondContact O-CB 3.49Å; K14-N18 PolarHBondContact O-N 2.94Å |
| 15 | L | 50.3 | Low | 62.7 | Low | 108 Ų | 108 | 126.7 Ų | 126.7 | 57% | 0.565 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.7 | -41.2 | 174.7 | -131.4 | 143.5 | 0 | 0 | 0 | 110.9 | R11 V12 N18 L19 | R11-L15 WeakPolarHBondContact O-CB 3.41Å; R11-L15 PolarHBondContact O-N 3.38Å; V12-L15 PolarHBondContact O-N 2.94Å; L15-N18 PolarHBondContact O-N 3.22Å; L15-L19 HydrophobicContact CD2-CD1 4.36Å; L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 PolarHBondContact O-N 2.95Å |
| 16 | F | 54.6 | Low | 61.1 | Low | 140 Ų | 140 | 125.9 Ų | 125.9 | 61% | 0.614 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.1 | -42.2 | 177.3 | -159.7 | -94 | 0 | 0 | 0 | 111.8 | V12 K13 K14 L19 N20 | V12-F16 VanDerWaalsContact O-CB 3.27Å; V12-F16 WeakPolarHBondContact O-CB 3.42Å; V12-F16 PolarHBondContact O-N 3.42Å; K13-F16 PolarHBondContact O-N 2.81Å; K14-F16 VanDerWaalsContact C-N 3.33Å; F16-L19 PolarHBondContact O-N 2.95Å; F16-N20 WeakPolarHBondContact O-CB 3.32Å; F16-N20 PolarHBondContact O-N 3.27Å |
| 17 | I | 55.7 | Low | 59.5 | Low | 82 Ų | 82 | 120.3 Ų | 120.3 | 42% | 0.421 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.3 | -47.5 | 173.6 | -69.1 | 163.3 | 0 | 0 | 0 | 110.3 | K13 K14 L19 N20 E21 | K13-I17 HydrophobicContact CG-CD1 4.18Å; K13-I17 WeakPolarHBondContact O-CB 3.39Å; K13-I17 WeakPolarHBondContact O-CD1 3.28Å; K13-I17 WeakPolarHBondContact O-CG1 3.32Å; K13-I17 PolarHBondContact O-N 2.89Å; K14-I17 PolarHBondContact O-N 3.25Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 2.79Å; I17-N20 CarbonylContact O-C 3.59Å; I17-N20 PolarHBondContact O-N 2.87Å; I17-N20 VanDerWaalsContact O-N 3.15Å; I17-E21 HydrophobicContact CG2-CG 4.4Å; I17-E21 WeakPolarHBondContact O-CB 3.37Å; I17-E21 PolarHBondContact O-N 3.24Å |
| 18 | N | 43.3 | Very low | 57.9 | Low | 97 Ų | 97 | 122.7 Ų | 122.7 | 52% | 0.519 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.2 | -41.7 | 176.4 | -92.1 | 9 | 0 | 0 | 0 | 112.3 | K14 L15 N20 E21 A22 | K14-N18 WeakPolarHBondContact O-CB 3.49Å; K14-N18 PolarHBondContact O-N 2.94Å; L15-N18 PolarHBondContact O-N 3.22Å; N18-N20 VanDerWaalsContact C-N 3.31Å; N18-N20 PolarHBondContact O-N 2.86Å; N18-E21 PolarHBondContact O-N 2.92Å; N18-A22 WeakPolarHBondContact O-CB 3.39Å; N18-A22 PolarHBondContact O-N 3.47Å |
| 19 | L | 44.8 | Very low | 56 | Low | 97 Ų | 97 | 120.1 Ų | 120.1 | 51% | 0.508 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.7 | -39.5 | 177.1 | -134.6 | 99.2 | 0 | 0 | 0 | 110.9 | L15 F16 I17 L23 | L15-L19 HydrophobicContact CD2-CD1 4.36Å; L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 PolarHBondContact O-N 2.95Å; F16-L19 PolarHBondContact O-N 2.95Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 2.79Å; L19-L23 HydrophobicContact CD2-CD1 4.05Å; L19-L23 HydrophobicContact CG-CD1 4.43Å; L19-L23 VanDerWaalsContact O-CB 3.27Å; L19-L23 WeakPolarHBondContact O-CB 3.44Å; L19-L23 WeakPolarHBondContact O-CG 3.25Å; L19-L23 PolarHBondContact O-N 2.9Å |
| 20 | N | 46.8 | Very low | 54.7 | Low | 103 Ų | 103 | 119.2 Ų | 119.2 | 55% | 0.551 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -74.4 | -30 | 179.6 | -130.9 | 10.7 | 0 | 0 | 0 | 112.5 | F16 I17 N18 R24 | F16-N20 WeakPolarHBondContact O-CB 3.32Å; F16-N20 PolarHBondContact O-N 3.27Å; I17-N20 CarbonylContact O-C 3.59Å; I17-N20 PolarHBondContact O-N 2.87Å; I17-N20 VanDerWaalsContact O-N 3.15Å; N18-N20 VanDerWaalsContact C-N 3.31Å; N18-N20 PolarHBondContact O-N 2.86Å; N20-R24 WeakPolarHBondContact O-CA 3.38Å; N20-R24 WeakPolarHBondContact O-CB 3.31Å; N20-R24 PolarHBondContact O-N 3.44Å |
| 21 | E | 46.6 | Very low | 53.5 | Low | 125 Ų | 125 | 118.2 Ų | 118.2 | 58% | 0.584 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -70.4 | -43.6 | 170.7 | -79 | 178.7 | 176.7 | 0 | 0 | 111.1 | I17 N18 L23 R24 | I17-E21 HydrophobicContact CG2-CG 4.4Å; I17-E21 WeakPolarHBondContact O-CB 3.37Å; I17-E21 PolarHBondContact O-N 3.24Å; N18-E21 PolarHBondContact O-N 2.92Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 3.31Å; E21-R24 WeakPolarHBondContact O-CB 3.26Å; E21-R24 PolarHBondContact O-N 3.01Å |
| 22 | A | 52.1 | Low | 52.2 | Low | 87 Ų | 87 | 110.4 Ų | 110.4 | 72% | 0.719 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.5 | -31.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | N18 | N18-A22 WeakPolarHBondContact O-CB 3.39Å; N18-A22 PolarHBondContact O-N 3.47Å |
| 23 | L | 48 | Very low | 50.8 | Low | 128 Ų | 128 | 109.6 Ų | 109.6 | 67% | 0.67 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -3 | 175.7 | -69.8 | 168.8 | 0 | 0 | 0 | 113.2 | L19 E21 P25 | L19-L23 HydrophobicContact CD2-CD1 4.05Å; L19-L23 HydrophobicContact CG-CD1 4.43Å; L19-L23 VanDerWaalsContact O-CB 3.27Å; L19-L23 WeakPolarHBondContact O-CB 3.44Å; L19-L23 WeakPolarHBondContact O-CG 3.25Å; L19-L23 PolarHBondContact O-N 2.9Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 3.31Å; L23-P25 WeakPolarHBondContact O-CD 3.44Å; L23-P25 VanDerWaalsContact O-N 3.16Å |
| 24 | R | 49.7 | Very low | 50 | Low | 195 Ų | 195 | 109 Ų | 109 | 74% | 0.736 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -63.4 | 123.5 | 176.8 | -152 | 178.1 | -169 | 176.7 | 1.7 | 106.5 | N20 E21 K26 | N20-R24 WeakPolarHBondContact O-CA 3.38Å; N20-R24 WeakPolarHBondContact O-CB 3.31Å; N20-R24 PolarHBondContact O-N 3.44Å; E21-R24 WeakPolarHBondContact O-CB 3.26Å; E21-R24 PolarHBondContact O-N 3.01Å; R24-K26 PolarHBondContact O-N 3.02Å |
| 25 | P | 48.8 | Very low | 49.2 | Very low | 100 Ų | 100 | 109.3 Ų | 109.3 | 65% | 0.649 | 53% | 0.534 | S | S | * | . | trans | -57 | 118.1 | 171.1 | 23.3 | -31 | 0 | 0 | 0 | 106.6 | L23 S27 | L23-P25 WeakPolarHBondContact O-CD 3.44Å; L23-P25 VanDerWaalsContact O-N 3.16Å; P25-S27 PolarHBondContact O-N 2.97Å | ||
| 26 | K | 48.8 | Very low | 48.8 | Very low | 91 Ų | 91 | 111.2 Ų | 111.2 | 40% | 0.396 | 54% | 0.538 | S | S | . | . | trans | -46 | 133.2 | 173.9 | -71.3 | -172.1 | -175 | -177.8 | 0 | 108.4 | R24 E30 R31 E34 | R24-K26 PolarHBondContact O-N 3.02Å; K26-E30 WeakPolarHBondContact CA-OE2 3.27Å; K26-E30 HydrophobicContact CB-CB 4.03Å; K26-R31 HydrophobicContact CB-CG 3.82Å; K26-E34 IonicContact NZ-OE1 2.67Å; K26-E34 PolarHBondContact NZ-OE1 3.26Å; K26-E34 IonicContact NZ-OE2 2.62Å; K26-E34 PolarHBondContact NZ-OE2 3.46Å | ||
| 27 | S | 50.8 | Low | 48.2 | Very low | 41 Ų | 41 | 107.6 Ų | 107.6 | 29% | 0.287 | 54% | 0.54 | S | S | . | . | trans | -56.7 | 155.5 | 176.4 | 89.1 | 0 | 0 | 0 | 0 | 108.8 | P25 E29 E30 R31 | P25-S27 PolarHBondContact O-N 2.97Å; S27-E29 PolarHBondContact O-N 3.13Å; S27-E29 VanDerWaalsContact O-N 3.13Å; S27-E29 WeakPolarHBondContact OG-CB 3.4Å; S27-E29 PolarHBondContact OG-N 3.32Å; S27-E30 PolarHBondContact N-OE2 3.29Å; S27-E30 PolarHBondContact O-N 2.85Å; S27-E30 VanDerWaalsContact O-N 3.11Å; S27-E30 PolarHBondContact OG-N 3.09Å; S27-E30 VanDerWaalsContact OG-N 3.16Å; S27-R31 PolarHBondContact O-N 3.41Å | ||
| 28 | W | 49.6 | Very low | 47.4 | Very low | 188 Ų | 188 | 106.6 Ų | 106.6 | 71% | 0.712 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -56.2 | -31.4 | 177.9 | -167.6 | 74.2 | 0 | 0 | 0 | 111.5 | I32 | W28-I32 HydrophobicContact CD2-CD1 3.52Å; W28-I32 HydrophobicContact CE3-CD1 3.36Å; W28-I32 HydrophobicContact CG-CD1 4.38Å; W28-I32 HydrophobicContact CH2-CD1 3.39Å; W28-I32 HydrophobicContact CZ2-CD1 3.55Å; W28-I32 HydrophobicContact CZ3-CD1 3.29Å; W28-I32 WeakPolarHBondContact O-CD1 3.24Å; W28-I32 VanDerWaalsContact O-CG1 3.28Å; W28-I32 WeakPolarHBondContact O-CG1 3.45Å; W28-I32 PolarHBondContact O-N 2.66Å; W28-I32 VanDerWaalsContact O-N 3.15Å |
| 29 | E | 44.8 | Very low | 47.6 | Very low | 97 Ų | 97 | 104.6 Ų | 104.6 | 45% | 0.453 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.2 | -44.8 | 176.2 | -59.6 | 152.1 | 175.4 | 0 | 0 | 112 | S27 R31 I32 T33 | S27-E29 PolarHBondContact O-N 3.13Å; S27-E29 VanDerWaalsContact O-N 3.13Å; S27-E29 WeakPolarHBondContact OG-CB 3.4Å; S27-E29 PolarHBondContact OG-N 3.32Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 2.93Å; E29-I32 PolarHBondContact O-N 2.79Å; E29-T33 WeakPolarHBondContact O-CB 3.41Å; E29-T33 PolarHBondContact O-N 3.18Å; E29-T33 PolarHBondContact O-OG1 2.96Å |
| 30 | E | 52.4 | Low | 47.7 | Very low | 111 Ų | 111 | 103 Ų | 103 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 176.3 | -71.6 | 168.8 | 169.9 | 0 | 0 | 111.5 | K26 S27 E34 | K26-E30 WeakPolarHBondContact CA-OE2 3.27Å; K26-E30 HydrophobicContact CB-CB 4.03Å; S27-E30 PolarHBondContact N-OE2 3.29Å; S27-E30 PolarHBondContact O-N 2.85Å; S27-E30 VanDerWaalsContact O-N 3.11Å; S27-E30 PolarHBondContact OG-N 3.09Å; S27-E30 VanDerWaalsContact OG-N 3.16Å; E30-E34 WeakPolarHBondContact O-CB 3.3Å; E30-E34 PolarHBondContact O-N 2.7Å; E30-E34 VanDerWaalsContact O-N 3.09Å |
| 31 | R | 54.7 | Low | 47.7 | Very low | 142 Ų | 142 | 102 Ų | 102 | 54% | 0.536 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 176 | -73.9 | -177.6 | 173.4 | 171.4 | -1.4 | 112.6 | K26 S27 E29 E35 | K26-R31 HydrophobicContact CB-CG 3.82Å; S27-R31 PolarHBondContact O-N 3.41Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 2.93Å; R31-E35 WeakPolarHBondContact O-CB 3.39Å; R31-E35 PolarHBondContact O-N 3.24Å |
| 32 | I | 45.4 | Very low | 47.8 | Very low | 27 Ų | 27 | 102 Ų | 102 | 14% | 0.138 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -69.8 | -42.3 | 179.1 | -69.8 | 168.6 | 0 | 0 | 0 | 110.8 | W28 E29 E34 E35 F36 P40 | W28-I32 HydrophobicContact CD2-CD1 3.52Å; W28-I32 HydrophobicContact CE3-CD1 3.36Å; W28-I32 HydrophobicContact CG-CD1 4.38Å; W28-I32 HydrophobicContact CH2-CD1 3.39Å; W28-I32 HydrophobicContact CZ2-CD1 3.55Å; W28-I32 HydrophobicContact CZ3-CD1 3.29Å; W28-I32 WeakPolarHBondContact O-CD1 3.24Å; W28-I32 VanDerWaalsContact O-CG1 3.28Å; W28-I32 WeakPolarHBondContact O-CG1 3.45Å; W28-I32 PolarHBondContact O-N 2.66Å; W28-I32 VanDerWaalsContact O-N 3.15Å; E29-I32 PolarHBondContact O-N 2.79Å; I32-E34 VanDerWaalsContact C-N 3.26Å; I32-E34 PolarHBondContact O-N 3.1Å; I32-E35 PolarHBondContact O-N 3.25Å; I32-F36 HydrophobicContact CG2-CD2 3.82Å; I32-F36 HydrophobicContact CG2-CE2 4.49Å; I32-F36 WeakPolarHBondContact O-CB 3.21Å; I32-F36 WeakPolarHBondContact O-CD2 3.46Å; I32-F36 PolarHBondContact O-N 3.01Å; I32-P40 HydrophobicContact CB-CG 4.12Å; I32-P40 HydrophobicContact CD1-CG 4.33Å; I32-P40 HydrophobicContact CG2-CB 3.95Å; I32-P40 HydrophobicContact CG2-CG 3.76Å |
| 33 | T | 47.4 | Very low | 48.1 | Very low | 50 Ų | 50 | 99 Ų | 99 | 31% | 0.307 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.2 | -35.4 | 178.9 | -48 | 0 | 0 | 0 | 0 | 111.3 | E29 G37 E38 | E29-T33 WeakPolarHBondContact O-CB 3.41Å; E29-T33 PolarHBondContact O-N 3.18Å; E29-T33 PolarHBondContact O-OG1 2.96Å; T33-G37 CarbonylContact O-C 3.54Å; T33-G37 WeakPolarHBondContact O-CA 3.23Å; T33-G37 PolarHBondContact O-N 3.44Å; T33-E38 WeakPolarHBondContact CA-O 3.25Å |
| 34 | E | 53.5 | Low | 48.9 | Very low | 135 Ų | 135 | 94.6 Ų | 94.6 | 63% | 0.631 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -74.8 | -33.5 | 176 | -164.7 | 173.1 | -135.3 | 0 | 0 | 113 | K26 E30 I32 | K26-E34 IonicContact NZ-OE1 2.67Å; K26-E34 PolarHBondContact NZ-OE1 3.26Å; K26-E34 IonicContact NZ-OE2 2.62Å; K26-E34 PolarHBondContact NZ-OE2 3.46Å; E30-E34 WeakPolarHBondContact O-CB 3.3Å; E30-E34 PolarHBondContact O-N 2.7Å; E30-E34 VanDerWaalsContact O-N 3.09Å; I32-E34 VanDerWaalsContact C-N 3.26Å; I32-E34 PolarHBondContact O-N 3.1Å |
| 35 | E | 45.1 | Very low | 49.6 | Very low | 151 Ų | 151 | 88 Ų | 88 | 71% | 0.706 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -79.5 | -35.2 | 179.6 | -168.4 | 172 | -170.6 | 0 | 0 | 112.9 | R31 I32 | R31-E35 WeakPolarHBondContact O-CB 3.39Å; R31-E35 PolarHBondContact O-N 3.24Å; I32-E35 PolarHBondContact O-N 3.25Å |
| 36 | F | 41.7 | Very low | 50.4 | Low | 149 Ų | 149 | 85.8 Ų | 85.8 | 65% | 0.654 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -111.3 | -9.6 | -175.5 | -66.4 | -83.4 | 0 | 0 | 0 | 114.3 | I32 E38 | I32-F36 HydrophobicContact CG2-CD2 3.82Å; I32-F36 HydrophobicContact CG2-CE2 4.49Å; I32-F36 WeakPolarHBondContact O-CB 3.21Å; I32-F36 WeakPolarHBondContact O-CD2 3.46Å; I32-F36 PolarHBondContact O-N 3.01Å; F36-E38 PolarHBondContact O-N 2.95Å |
| 37 | G | 41.3 | Very low | 51.8 | Low | 63 Ų | 63 | 83.8 Ų | 83.8 | 65% | 0.649 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 75.6 | 2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T33 | T33-G37 CarbonylContact O-C 3.54Å; T33-G37 WeakPolarHBondContact O-CA 3.23Å; T33-G37 PolarHBondContact O-N 3.44Å |
| 38 | E | 39.3 | Very low | 53 | Low | 62 Ų | 62 | 85.9 Ų | 85.9 | 29% | 0.29 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -136.6 | 142.6 | -176.3 | -67.7 | -170.3 | 137.3 | 0 | 0 | 111.8 | T33 F36 P40 S44 C45 Q48 | T33-E38 WeakPolarHBondContact CA-O 3.25Å; F36-E38 PolarHBondContact O-N 2.95Å; E38-P40 WeakPolarHBondContact O-CD 3.12Å; E38-S44 PolarHBondContact OE1-OG 2.89Å; E38-S44 PolarHBondContact OE2-OG 3.13Å; E38-C45 WeakPolarHBondContact OE2-CB 3.29Å; E38-Q48 PolarHBondContact OE1-NE2 3.21Å |
| 39 | N | 48.6 | Very low | 54.3 | Low | 54 Ų | 54 | 79.1 Ų | 79.1 | 29% | 0.289 | 42% | 0.416 | S | S | . | . | trans | -69.4 | 118.9 | 177.3 | -177.5 | 2.4 | 0 | 0 | 0 | 109.5 | L41 E42 | N39-L41 PolarHBondContact O-N 3.4Å; N39-L41 PolarHBondContact OD1-N 2.88Å; N39-E42 HydrophobicContact CB-CB 4.32Å; N39-E42 HydrophobicContact CB-CG 4.41Å; N39-E42 PolarHBondContact O-N 3.37Å | ||
| 40 | P | 47.2 | Very low | 56 | Low | 63 Ų | 63 | 74.8 Ų | 74.8 | 41% | 0.409 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -14.3 | -175.7 | 23.6 | -33.1 | 0 | 0 | 0 | 114.6 | I32 E38 | I32-P40 HydrophobicContact CB-CG 4.12Å; I32-P40 HydrophobicContact CD1-CG 4.33Å; I32-P40 HydrophobicContact CG2-CB 3.95Å; I32-P40 HydrophobicContact CG2-CG 3.76Å; E38-P40 WeakPolarHBondContact O-CD 3.12Å |
| 41 | L | 45.6 | Very low | 57.5 | Low | 83 Ų | 83 | 73.8 Ų | 73.8 | 44% | 0.435 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -18.2 | 173.9 | -66.9 | 172.7 | 0 | 0 | 0 | 112.9 | N39 | N39-L41 PolarHBondContact O-N 3.4Å; N39-L41 PolarHBondContact OD1-N 2.88Å |
| 42 | E | 49.6 | Very low | 58.9 | Low | 126 Ų | 126 | 72.6 Ų | 72.6 | 59% | 0.589 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -94.1 | 127.7 | 176.5 | -75.1 | -177.4 | 167.5 | 0 | 0 | 110 | N39 S44 | N39-E42 HydrophobicContact CB-CB 4.32Å; N39-E42 HydrophobicContact CB-CG 4.41Å; N39-E42 PolarHBondContact O-N 3.37Å; E42-S44 PolarHBondContact O-N 3.11Å |
| 43 | C | 58.6 | Low | 60.8 | Low | 24 Ų | 24 | 73.8 Ų | 73.8 | 16% | 0.162 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 30.5 | -178.4 | -156.8 | 0 | 0 | 0 | 0 | 112.2 | C45 C46 D47 H98 | C43-C45 PolarHBondContact O-N 3.41Å; C43-C46 PolarHBondContact O-N 3.46Å; C43-C46 WeakPolarHBondContact SG-CB 3.23Å; C43-D47 PolarHBondContact O-N 3.45Å; C43-D47 VanDerWaalsContact O-N 3.1Å; C43-H98 WeakPolarHBondContact SG-CB 3.08Å; C43-H98 PolarHBondContact SG-CD2 3.4Å |
| 44 | S | 64.4 | Low | 62.7 | Low | 34 Ų | 34 | 72 Ų | 72 | 24% | 0.238 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -55.9 | -40.6 | -177.1 | 62.6 | 0 | 0 | 0 | 0 | 110.7 | E38 E42 D47 Q48 | E38-S44 PolarHBondContact OE1-OG 2.89Å; E38-S44 PolarHBondContact OE2-OG 3.13Å; E42-S44 PolarHBondContact O-N 3.11Å; S44-D47 PolarHBondContact O-N 2.87Å; S44-Q48 VanDerWaalsContact O-CB 3.29Å; S44-Q48 WeakPolarHBondContact O-CB 3.36Å; S44-Q48 WeakPolarHBondContact O-CG 3.36Å; S44-Q48 PolarHBondContact O-N 3.1Å |
| 45 | C | 64.2 | Low | 64.3 | Low | 57 Ų | 57 | 72.1 Ų | 72.1 | 39% | 0.385 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.5 | -37.4 | -177.9 | 66.4 | 0 | 0 | 0 | 0 | 113.9 | E38 C43 D47 S49 | E38-C45 WeakPolarHBondContact OE2-CB 3.29Å; C43-C45 PolarHBondContact O-N 3.41Å; C45-D47 VanDerWaalsContact C-N 3.34Å; C45-S49 VanDerWaalsContact O-CB 3.27Å; C45-S49 WeakPolarHBondContact O-CB 3.27Å; C45-S49 PolarHBondContact O-N 3.41Å; C45-S49 PolarHBondContact O-OG 3.33Å |
| 46 | C | 65.4 | Low | 66.1 | Low | 53 Ų | 53 | 66.1 Ų | 66.1 | 36% | 0.358 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -72.1 | -34.8 | 176.1 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | C43 S49 A50 | C43-C46 PolarHBondContact O-N 3.46Å; C43-C46 WeakPolarHBondContact SG-CB 3.23Å; C46-S49 PolarHBondContact O-N 2.87Å; C46-A50 VanDerWaalsContact O-CB 3.26Å; C46-A50 WeakPolarHBondContact O-CB 3.45Å; C46-A50 PolarHBondContact O-N 2.77Å |
| 47 | D | 79 | Confident | 68.2 | Low | 49 Ų | 49 | 59 Ų | 59 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.2 | -47.2 | 175.7 | -67.4 | -13 | 0 | 0 | 0 | 110.1 | C43 S44 C45 S49 A50 D51 R100 | C43-D47 PolarHBondContact O-N 3.45Å; C43-D47 VanDerWaalsContact O-N 3.1Å; S44-D47 PolarHBondContact O-N 2.87Å; C45-D47 VanDerWaalsContact C-N 3.34Å; D47-S49 VanDerWaalsContact C-N 3.29Å; D47-S49 PolarHBondContact O-N 3Å; D47-A50 PolarHBondContact O-N 3.33Å; D47-D51 WeakPolarHBondContact O-CB 3.35Å; D47-D51 PolarHBondContact O-N 2.7Å; D47-R100 IonicContact OD1-CZ 3.04Å; D47-R100 IonicContact OD1-NE 2.73Å; D47-R100 PolarHBondContact OD1-NE 3.22Å; D47-R100 IonicContact OD1-NH2 2.66Å; D47-R100 PolarHBondContact OD1-NH2 3.08Å; D47-R100 IonicContact OD2-NH2 3.13Å; D47-R100 PolarHBondContact OD2-NH2 3.13Å; D47-R100 VanDerWaalsContact OD2-NH2 3.13Å |
| 48 | Q | 76 | Confident | 70.3 | Confident | 85 Ų | 85 | 62.7 Ų | 62.7 | 40% | 0.397 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.4 | -39.5 | 171.5 | -72.8 | 167.8 | 21.6 | 0 | 0 | 112.7 | E38 S44 K52 | E38-Q48 PolarHBondContact OE1-NE2 3.21Å; S44-Q48 VanDerWaalsContact O-CB 3.29Å; S44-Q48 WeakPolarHBondContact O-CB 3.36Å; S44-Q48 WeakPolarHBondContact O-CG 3.36Å; S44-Q48 PolarHBondContact O-N 3.1Å; Q48-K52 WeakPolarHBondContact O-CB 3.41Å; Q48-K52 VanDerWaalsContact O-CG 3.23Å; Q48-K52 WeakPolarHBondContact O-CG 3.31Å; Q48-K52 PolarHBondContact O-N 3.41Å |
| 49 | S | 75.4 | Confident | 72.4 | Confident | 47 Ų | 47 | 70.5 Ų | 70.5 | 33% | 0.329 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70 | -42.4 | 178.1 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | C45 C46 D47 D51 K52 I53 | C45-S49 VanDerWaalsContact O-CB 3.27Å; C45-S49 WeakPolarHBondContact O-CB 3.27Å; C45-S49 PolarHBondContact O-N 3.41Å; C45-S49 PolarHBondContact O-OG 3.33Å; C46-S49 PolarHBondContact O-N 2.87Å; D47-S49 VanDerWaalsContact C-N 3.29Å; D47-S49 PolarHBondContact O-N 3Å; S49-D51 VanDerWaalsContact C-N 3.35Å; S49-K52 PolarHBondContact O-N 3.26Å; S49-I53 WeakPolarHBondContact O-CD1 3.34Å; S49-I53 VanDerWaalsContact O-CG1 3.24Å; S49-I53 WeakPolarHBondContact O-CG1 3.32Å; S49-I53 PolarHBondContact O-N 2.96Å |
| 50 | A | 80.6 | Confident | 74.1 | Confident | 5 Ų | 5 | 69 Ų | 69 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | C46 D47 I53 V54 P67 R100 I102 | C46-A50 VanDerWaalsContact O-CB 3.26Å; C46-A50 WeakPolarHBondContact O-CB 3.45Å; C46-A50 PolarHBondContact O-N 2.77Å; D47-A50 PolarHBondContact O-N 3.33Å; A50-I53 PolarHBondContact O-N 3.26Å; A50-V54 VanDerWaalsContact O-CG2 3.29Å; A50-V54 WeakPolarHBondContact O-CG2 3.41Å; A50-V54 PolarHBondContact O-N 2.76Å; A50-P67 HydrophobicContact CB-CB 4.02Å; A50-P67 HydrophobicContact CB-CG 4.36Å; A50-R100 HydrophobicContact CB-CB 4.42Å; A50-R100 HydrophobicContact CB-CG 4.29Å; A50-I102 HydrophobicContact CB-CD1 3.96Å |
| 51 | D | 85.2 | Confident | 75.8 | Confident | 90 Ų | 90 | 68.8 Ų | 68.8 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 177.6 | -68.9 | -22.9 | 0 | 0 | 0 | 111.2 | D47 S49 I53 V54 E55 | D47-D51 WeakPolarHBondContact O-CB 3.35Å; D47-D51 PolarHBondContact O-N 2.7Å; S49-D51 VanDerWaalsContact C-N 3.35Å; D51-I53 VanDerWaalsContact C-N 3.34Å; D51-I53 PolarHBondContact O-N 3.1Å; D51-V54 PolarHBondContact O-N 3.41Å; D51-E55 VanDerWaalsContact O-CB 3.31Å; D51-E55 WeakPolarHBondContact O-CB 3.47Å; D51-E55 PolarHBondContact O-N 2.88Å |
| 52 | K | 82.5 | Confident | 77.5 | Confident | 117 Ų | 117 | 65.1 Ų | 65.1 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 174 | -77.4 | 173.2 | -176.6 | 177 | 0 | 112.6 | Q48 S49 T56 | Q48-K52 WeakPolarHBondContact O-CB 3.41Å; Q48-K52 VanDerWaalsContact O-CG 3.23Å; Q48-K52 WeakPolarHBondContact O-CG 3.31Å; Q48-K52 PolarHBondContact O-N 3.41Å; S49-K52 PolarHBondContact O-N 3.26Å; K52-T56 VanDerWaalsContact O-CB 3.27Å; K52-T56 WeakPolarHBondContact O-CB 3.36Å; K52-T56 PolarHBondContact O-N 2.77Å; K52-T56 PolarHBondContact O-OG1 2.82Å |
| 53 | I | 85.7 | Confident | 79.2 | Confident | 53 Ų | 53 | 62.6 Ų | 62.6 | 27% | 0.272 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 176.5 | -71.6 | 164.2 | 0 | 0 | 0 | 110.4 | S49 A50 D51 T56 A57 I102 L115 L118 | S49-I53 WeakPolarHBondContact O-CD1 3.34Å; S49-I53 VanDerWaalsContact O-CG1 3.24Å; S49-I53 WeakPolarHBondContact O-CG1 3.32Å; S49-I53 PolarHBondContact O-N 2.96Å; A50-I53 PolarHBondContact O-N 3.26Å; D51-I53 VanDerWaalsContact C-N 3.34Å; D51-I53 PolarHBondContact O-N 3.1Å; I53-T56 PolarHBondContact O-N 2.83Å; I53-A57 WeakPolarHBondContact O-CB 3.44Å; I53-A57 PolarHBondContact O-N 2.71Å; I53-I102 HydrophobicContact CB-CD1 4.21Å; I53-I102 HydrophobicContact CG2-CD1 3.92Å; I53-I102 HydrophobicContact CG2-CG2 4.48Å; I53-L115 HydrophobicContact CB-CD2 4.47Å; I53-L115 HydrophobicContact CG2-CD2 3.89Å; I53-L118 HydrophobicContact CG1-CD1 3.93Å |
| 54 | V | 86.9 | Confident | 80.6 | Confident | 13 Ų | 13 | 63 Ų | 63 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 179.5 | 172.7 | 0 | 0 | 0 | 0 | 111 | A50 D51 A57 K58 V64 I102 | A50-V54 VanDerWaalsContact O-CG2 3.29Å; A50-V54 WeakPolarHBondContact O-CG2 3.41Å; A50-V54 PolarHBondContact O-N 2.76Å; D51-V54 PolarHBondContact O-N 3.41Å; V54-A57 PolarHBondContact O-N 3.21Å; V54-K58 HydrophobicContact CG1-CD 4.14Å; V54-K58 HydrophobicContact CG1-CG 4.49Å; V54-K58 WeakPolarHBondContact O-CB 3.37Å; V54-K58 WeakPolarHBondContact O-CG 3.47Å; V54-K58 PolarHBondContact O-N 2.99Å; V54-V64 HydrophobicContact CG1-CG1 4.35Å; V54-V64 HydrophobicContact CG2-CG1 4.16Å; V54-I102 HydrophobicContact CG2-CD1 4.16Å; V54-I102 HydrophobicContact CG2-CG1 4.41Å; V54-I102 HydrophobicContact CG2-CG2 4.02Å |
| 55 | E | 87.1 | Confident | 81.5 | Confident | 136 Ų | 136 | 64.2 Ų | 64.2 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.9 | -44 | 177.5 | -172.9 | -179.1 | -169.6 | 0 | 0 | 111.5 | D51 A57 K58 R59 | D51-E55 VanDerWaalsContact O-CB 3.31Å; D51-E55 WeakPolarHBondContact O-CB 3.47Å; D51-E55 PolarHBondContact O-N 2.88Å; E55-A57 PolarHBondContact O-N 2.87Å; E55-K58 PolarHBondContact O-N 2.69Å; E55-R59 VanDerWaalsContact O-CB 3.29Å; E55-R59 WeakPolarHBondContact O-CB 3.4Å; E55-R59 PolarHBondContact O-N 3.09Å |
| 56 | T | 84.1 | Confident | 82.4 | Confident | 26 Ų | 26 | 63 Ų | 63 | 16% | 0.16 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.5 | -41 | 177.8 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | K52 I53 T60 A114 L115 | K52-T56 VanDerWaalsContact O-CB 3.27Å; K52-T56 WeakPolarHBondContact O-CB 3.36Å; K52-T56 PolarHBondContact O-N 2.77Å; K52-T56 PolarHBondContact O-OG1 2.82Å; I53-T56 PolarHBondContact O-N 2.83Å; T56-T60 WeakPolarHBondContact O-CG2 2.98Å; T56-T60 PolarHBondContact O-N 3.42Å; T56-T60 PolarHBondContact O-OG1 2.79Å; T56-A114 HydrophobicContact CG2-CB 3.6Å; T56-L115 HydrophobicContact CG2-CD2 4.24Å |
| 57 | A | 85.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.3 | -39.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I53 V54 E55 T60 G61 A62 V64 I104 T111 L115 | I53-A57 WeakPolarHBondContact O-CB 3.44Å; I53-A57 PolarHBondContact O-N 2.71Å; V54-A57 PolarHBondContact O-N 3.21Å; E55-A57 PolarHBondContact O-N 2.87Å; A57-T60 PolarHBondContact O-N 2.8Å; A57-T60 PolarHBondContact O-OG1 2.79Å; A57-G61 PolarHBondContact O-N 3.35Å; A57-A62 PolarHBondContact O-N 2.84Å; A57-A62 VanDerWaalsContact O-N 3.1Å; A57-V64 HydrophobicContact CB-CG2 3.44Å; A57-V64 VanDerWaalsContact CB-CG2 3.44Å; A57-I104 HydrophobicContact CB-CD1 4.06Å; A57-T111 HydrophobicContact CB-CG2 4.18Å; A57-L115 HydrophobicContact CB-CD2 4.48Å |
| 58 | K | 85.5 | Confident | 83.8 | Confident | 139 Ų | 139 | 63.8 Ų | 63.8 | 60% | 0.604 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.5 | -43.9 | 172.2 | -75.6 | 179.1 | 179.4 | 178.3 | 0 | 112.3 | V54 E55 T60 G61 | V54-K58 HydrophobicContact CG1-CD 4.14Å; V54-K58 HydrophobicContact CG1-CG 4.49Å; V54-K58 WeakPolarHBondContact O-CB 3.37Å; V54-K58 WeakPolarHBondContact O-CG 3.47Å; V54-K58 PolarHBondContact O-N 2.99Å; E55-K58 PolarHBondContact O-N 2.69Å; K58-T60 PolarHBondContact O-N 2.8Å; K58-G61 PolarHBondContact O-N 2.92Å |
| 59 | R | 82.9 | Confident | 84.2 | Confident | 226 Ų | 226 | 63.8 Ų | 63.8 | 85% | 0.853 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.2 | -31.2 | 178.6 | -179.7 | 177.8 | 173.4 | -174.7 | -1.2 | 112.6 | E55 | E55-R59 VanDerWaalsContact O-CB 3.29Å; E55-R59 WeakPolarHBondContact O-CB 3.4Å; E55-R59 PolarHBondContact O-N 3.09Å |
| 60 | T | 85.2 | Confident | 84.6 | Confident | 23 Ų | 23 | 64.8 Ų | 64.8 | 14% | 0.141 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -2.2 | 179.1 | 50 | 0 | 0 | 0 | 0 | 113.7 | T56 A57 K58 K110 T111 A114 | T56-T60 WeakPolarHBondContact O-CG2 2.98Å; T56-T60 PolarHBondContact O-N 3.42Å; T56-T60 PolarHBondContact O-OG1 2.79Å; A57-T60 PolarHBondContact O-N 2.8Å; A57-T60 PolarHBondContact O-OG1 2.79Å; K58-T60 PolarHBondContact O-N 2.8Å; T60-K110 HydrophobicContact CG2-CG 4.26Å; T60-T111 VanDerWaalsContact CB-OG1 3.28Å; T60-T111 WeakPolarHBondContact CB-OG1 3.13Å; T60-T111 WeakPolarHBondContact OG1-CA 2.9Å; T60-T111 VanDerWaalsContact OG1-CB 3.32Å; T60-T111 WeakPolarHBondContact OG1-CB 3.26Å; T60-T111 WeakPolarHBondContact OG1-CG2 3.23Å; T60-T111 PolarHBondContact OG1-OG1 3.43Å; T60-A114 HydrophobicContact CG2-CB 3.58Å |
| 61 | G | 82.7 | Confident | 84.8 | Confident | 58 Ų | 58 | 70 Ų | 70 | 60% | 0.598 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 11.8 | 175 | 0 | 0 | 0 | 0 | 0 | 115.1 | A57 K58 | A57-G61 PolarHBondContact O-N 3.35Å; K58-G61 PolarHBondContact O-N 2.92Å |
| 62 | A | 81.8 | Confident | 84.6 | Confident | 7 Ų | 7 | 69 Ų | 69 | 6% | 0.058 | 39% | 0.385 | C | S | . | . | trans | -78.7 | 145.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A57 I104 T111 | A57-A62 PolarHBondContact O-N 2.84Å; A57-A62 VanDerWaalsContact O-N 3.1Å; A62-I104 HydrophobicContact CB-CG2 3.62Å; A62-T111 HydrophobicContact CB-CG2 3.77Å | ||
| 63 | S | 83.6 | Confident | 84.1 | Confident | 72 Ų | 72 | 68.4 Ų | 68.4 | 50% | 0.503 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 127 | 172.2 | -57 | 0 | 0 | 0 | 0 | 109 | I104 V105 | S63-I104 CarbonylContact O-C 3.53Å; S63-I104 WeakPolarHBondContact O-CA 3.03Å; S63-V105 VanDerWaalsContact CB-O 3.29Å; S63-V105 WeakPolarHBondContact CB-O 3.47Å; S63-V105 PolarHBondContact O-N 2.82Å |
| 64 | V | 88.2 | Confident | 83.9 | Confident | 34 Ų | 34 | 72.9 Ų | 72.9 | 21% | 0.206 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 134.6 | -174.7 | -173 | 0 | 0 | 0 | 0 | 109.7 | V54 A57 I102 D103 I104 | V54-V64 HydrophobicContact CG1-CG1 4.35Å; V54-V64 HydrophobicContact CG2-CG1 4.16Å; A57-V64 HydrophobicContact CB-CG2 3.44Å; A57-V64 VanDerWaalsContact CB-CG2 3.44Å; V64-I102 HydrophobicContact CG1-CG2 3.61Å; V64-D103 CarbonylContact C-O 3.57Å; V64-D103 WeakPolarHBondContact CA-O 3.39Å; V64-I104 HydrophobicContact CG2-CG1 4.39Å |
| 65 | S | 83.7 | Confident | 82.9 | Confident | 59 Ų | 59 | 74 Ų | 74 | 41% | 0.413 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130.9 | 169.4 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | D103 | S65-D103 PolarHBondContact N-O 3.05Å; S65-D103 PolarHBondContact O-N 3.37Å |
| 66 | G | 83.1 | Confident | 82.2 | Confident | 32 Ų | 32 | 72.1 Ų | 72.1 | 33% | 0.33 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 112.2 | 177.8 | -173 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 67 | P | 86.1 | Confident | 81.5 | Confident | 40 Ų | 40 | 76.9 Ų | 76.9 | 26% | 0.26 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -88.2 | 113.2 | 19.5 | 32 | -30.9 | 0 | 0 | 0 | 113.9 | A50 P69 R100 L101 I102 | A50-P67 HydrophobicContact CB-CB 4.02Å; A50-P67 HydrophobicContact CB-CG 4.36Å; P67-P69 WeakPolarHBondContact O-CD 3.36Å; P67-R100 HydrophobicContact CB-CB 4.35Å; P67-L101 CarbonylContact C-O 3.55Å; P67-L101 WeakPolarHBondContact CA-O 3.42Å; P67-I102 HydrophobicContact CB-CD1 4.37Å; P67-I102 HydrophobicContact CB-CG1 3.93Å |
| 68 | I | 87 | Confident | 81.1 | Confident | 78 Ų | 78 | 80.3 Ų | 80.3 | 40% | 0.4 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 120.7 | 176.2 | -61.5 | 162.6 | 0 | 0 | 0 | 108.6 | L70 R100 L101 | I68-L70 PolarHBondContact O-N 2.94Å; I68-R100 WeakPolarHBondContact O-CA 3.31Å; I68-L101 HydrophobicContact CB-CB 4.35Å; I68-L101 PolarHBondContact N-O 2.81Å; I68-L101 PolarHBondContact O-N 3.34Å |
| 69 | P | 86.5 | Confident | 80.7 | Confident | 85 Ų | 85 | 77.3 Ų | 77.3 | 55% | 0.552 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 120.4 | 170.7 | 24.3 | -28.1 | 0 | 0 | 0 | 110.2 | P67 | P67-P69 WeakPolarHBondContact O-CD 3.36Å |
| 70 | L | 83.5 | Confident | 80.4 | Confident | 68 Ų | 68 | 71.1 Ų | 71.1 | 36% | 0.356 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 159.3 | 169.3 | -67.6 | -179.5 | 0 | 0 | 0 | 110.2 | I68 T72 K99 L101 | I68-L70 PolarHBondContact O-N 2.94Å; L70-T72 PolarHBondContact O-N 2.73Å; L70-K99 HydrophobicContact CB-CB 3.83Å; L70-K99 HydrophobicContact CD1-CB 4.34Å; L70-K99 PolarHBondContact N-O 2.65Å; L70-L101 HydrophobicContact CD1-CB 4.09Å; L70-L101 HydrophobicContact CD2-CB 4.41Å; L70-L101 HydrophobicContact CG-CB 4.1Å |
| 71 | P | 84.3 | Confident | 79.9 | Confident | 115 Ų | 115 | 77.1 Ų | 77.1 | 75% | 0.747 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -51 | 128.6 | 179.8 | -28.4 | 35.3 | 0 | 0 | 0 | 112.4 | E73 | P71-E73 PolarHBondContact O-N 2.72Å |
| 72 | T | 80.7 | Confident | 79.4 | Confident | 67 Ų | 67 | 75.8 Ų | 75.8 | 41% | 0.411 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 123.8 | 179 | -61.9 | 0 | 0 | 0 | 0 | 109.5 | L70 R96 T97 H98 | L70-T72 PolarHBondContact O-N 2.73Å; T72-R96 HydrophobicContact CG2-CB 3.94Å; T72-T97 WeakPolarHBondContact CA-O 3.12Å; T72-H98 PolarHBondContact OG1-ND1 2.79Å; T72-H98 VanDerWaalsContact OG1-ND1 3.1Å |
| 73 | E | 72.5 | Confident | 79.1 | Confident | 106 Ų | 106 | 82.5 Ų | 82.5 | 50% | 0.495 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 117.4 | 176.5 | -169.6 | 175.8 | 170.6 | 0 | 0 | 109.2 | P71 T97 K99 | P71-E73 PolarHBondContact O-N 2.72Å; E73-T97 PolarHBondContact N-O 2.86Å; E73-T97 VanDerWaalsContact N-O 3.1Å; E73-T97 PolarHBondContact O-N 2.78Å; E73-K99 IonicContact OE2-NZ 2.93Å; E73-K99 PolarHBondContact OE2-NZ 3.45Å; E73-K99 VanDerWaalsContact OE2-NZ 3.11Å |
| 74 | R | 80.6 | Confident | 78.6 | Confident | 146 Ų | 146 | 86.7 Ų | 86.7 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 114.5 | 179.6 | -173.4 | -178.2 | -177.3 | -161.1 | 1.2 | 109.9 | L76 E94 | R74-L76 HydrophobicContact CG-CG 4.42Å; R74-E94 IonicContact CZ-OE2 3.9Å; R74-E94 IonicContact NE-OE2 3.1Å; R74-E94 PolarHBondContact NE-OE2 2.79Å; R74-E94 IonicContact NH2-OE2 3.76Å; R74-E94 PolarHBondContact NH2-OE2 2.98Å |
| 75 | S | 67.4 | Low | 77.8 | Confident | 36 Ų | 36 | 93 Ų | 93 | 25% | 0.252 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 120.6 | 170.6 | -70.4 | 0 | 0 | 0 | 0 | 109.9 | E94 M95 | S75-E94 CarbonylContact O-C 3.5Å; S75-E94 WeakPolarHBondContact O-CA 3.2Å; S75-M95 PolarHBondContact N-O 3.03Å; S75-M95 PolarHBondContact O-N 3.37Å |
| 76 | L | 71.6 | Confident | 77.4 | Confident | 97 Ų | 97 | 96.7 Ų | 96.7 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.7 | 176.8 | -69.4 | 170.6 | 0 | 0 | 0 | 110.2 | R74 E94 | R74-L76 HydrophobicContact CG-CG 4.42Å; L76-E94 HydrophobicContact CD2-CB 3.65Å |
| 77 | Y | 70 | Confident | 77 | Confident | 127 Ų | 127 | 101 Ų | 101 | 50% | 0.498 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 112.4 | 178 | -62.5 | -77.8 | 0 | 0 | 0 | 109.6 | F93 M95 | Y77-F93 PolarHBondContact N-O 3.02Å; Y77-F93 PolarHBondContact O-N 2.85Å; Y77-M95 HydrophobicContact CE2-CB 4.27Å |
| 78 | T | 75.8 | Confident | 76.7 | Confident | 72 Ų | 72 | 105.5 Ų | 105.5 | 44% | 0.442 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 114.3 | 172.2 | -44.9 | 0 | 0 | 0 | 0 | 109.8 | R90 E91 Q92 | T78-R90 HydrophobicContact CG2-CB 3.68Å; T78-R90 HydrophobicContact CG2-CG 4.12Å; T78-E91 CarbonylContact C-O 3.52Å; T78-E91 WeakPolarHBondContact CA-O 3.06Å; T78-Q92 PolarHBondContact OG1-NE2 3.39Å; T78-Q92 PolarHBondContact OG1-OE1 3.49Å |
| 79 | V | 77.6 | Confident | 76.1 | Confident | 75 Ų | 75 | 104 Ų | 104 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 143.2 | 175.7 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | E91 F93 | V79-E91 PolarHBondContact N-O 2.81Å; V79-E91 PolarHBondContact O-N 2.9Å; V79-F93 HydrophobicContact CB-CD2 4.12Å; V79-F93 HydrophobicContact CB-CE2 3.98Å; V79-F93 HydrophobicContact CG2-CD2 3.88Å; V79-F93 HydrophobicContact CG2-CE2 4.16Å |
| 80 | I | 77.6 | Confident | 75.9 | Confident | 96 Ų | 96 | 108.5 Ų | 108.5 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 130.5 | 173.4 | -61 | 173.9 | 0 | 0 | 0 | 108.4 | A82 K87 | I80-A82 VanDerWaalsContact C-N 3.32Å; I80-A82 WeakPolarHBondContact CG2-O 3.08Å; I80-A82 PolarHBondContact O-N 2.86Å; I80-K87 HydrophobicContact CG2-CB 4.47Å; I80-K87 WeakPolarHBondContact CG2-O 3.42Å |
| 81 | R | 73.2 | Confident | 75.5 | Confident | 150 Ų | 150 | 108.5 Ų | 108.5 | 57% | 0.566 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -62.3 | -36.9 | -179.2 | -81.7 | -169.1 | 165 | 170.4 | -1.4 | 113.9 | S89 E91 | R81-S89 PolarHBondContact N-O 2.64Å; R81-E91 HydrophobicContact CG-CB 3.76Å; R81-E91 IonicContact CZ-OE1 3.35Å; R81-E91 IonicContact NE-OE1 3.01Å; R81-E91 PolarHBondContact NE-OE1 3.09Å; R81-E91 IonicContact NE-OE2 3.9Å; R81-E91 IonicContact NH2-OE1 2.82Å; R81-E91 PolarHBondContact NH2-OE1 3.18Å |
| 82 | A | 72.3 | Confident | 75.1 | Confident | 30 Ų | 30 | 108.4 Ų | 108.4 | 25% | 0.248 | 52% | 0.52 | C | S | . | . | trans | -146.7 | 144.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I80 H84 Y86 | I80-A82 VanDerWaalsContact C-N 3.32Å; I80-A82 WeakPolarHBondContact CG2-O 3.08Å; I80-A82 PolarHBondContact O-N 2.86Å; A82-H84 PolarHBondContact O-N 2.84Å; A82-H84 VanDerWaalsContact O-N 3.16Å; A82-Y86 HydrophobicContact CB-CD2 4.16Å | ||
| 83 | T | 77 | Confident | 74.6 | Confident | 147 Ų | 147 | 109.8 Ų | 109.8 | 90% | 0.902 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -62 | -25.8 | -176.4 | 50.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 84 | H | 72.2 | Confident | 74.5 | Confident | 161 Ų | 161 | 107.7 Ų | 107.7 | 75% | 0.745 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -137 | -62.3 | -168.6 | -160.3 | -58.8 | 0 | 0 | 0 | 114.8 | A82 Y86 | A82-H84 PolarHBondContact O-N 2.84Å; A82-H84 VanDerWaalsContact O-N 3.16Å; H84-Y86 PolarHBondContact O-N 2.95Å |
| 85 | K | 71.8 | Confident | 74.1 | Confident | 167 Ų | 167 | 106.1 Ų | 106.1 | 73% | 0.726 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -30 | -170.2 | -167.9 | 175.9 | -179.9 | -179.8 | 0 | 113.8 | ||
| 86 | Y | 74.3 | Confident | 74.2 | Confident | 135 Ų | 135 | 110 Ų | 110 | 53% | 0.529 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | 37.4 | -178.7 | -52 | -63.4 | 0 | 0 | 0 | 111.8 | A82 H84 D88 S89 | A82-Y86 HydrophobicContact CB-CD2 4.16Å; H84-Y86 PolarHBondContact O-N 2.95Å; Y86-D88 PolarHBondContact O-N 3.07Å; Y86-S89 WeakPolarHBondContact O-CA 2.93Å; Y86-S89 VanDerWaalsContact O-CB 3.27Å; Y86-S89 WeakPolarHBondContact O-CB 3.3Å; Y86-S89 PolarHBondContact O-N 3.31Å |
| 87 | K | 75.3 | Confident | 74.3 | Confident | 122 Ų | 122 | 107.9 Ų | 107.9 | 53% | 0.53 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.8 | -173.8 | 68 | 176.8 | -175.6 | 178.9 | 0 | 114.2 | I80 S89 | I80-K87 HydrophobicContact CG2-CB 4.47Å; I80-K87 WeakPolarHBondContact CG2-O 3.42Å; K87-S89 VanDerWaalsContact C-N 3.35Å |
| 88 | D | 78.6 | Confident | 74.7 | Confident | 135 Ų | 135 | 105 Ų | 105 | 72% | 0.722 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -13.5 | 177.7 | -56.9 | -40.1 | 0 | 0 | 0 | 112 | Y86 R90 | Y86-D88 PolarHBondContact O-N 3.07Å; D88-R90 PolarHBondContact O-N 3.48Å |
| 89 | S | 76.1 | Confident | 74.8 | Confident | 47 Ų | 47 | 105.9 Ų | 105.9 | 33% | 0.329 | 50% | 0.5 | S | S | . | . | trans | -80.1 | 117.1 | 172.8 | -164.3 | 0 | 0 | 0 | 0 | 109.5 | R81 Y86 K87 | R81-S89 PolarHBondContact N-O 2.64Å; Y86-S89 WeakPolarHBondContact O-CA 2.93Å; Y86-S89 VanDerWaalsContact O-CB 3.27Å; Y86-S89 WeakPolarHBondContact O-CB 3.3Å; Y86-S89 PolarHBondContact O-N 3.31Å; K87-S89 VanDerWaalsContact C-N 3.35Å | ||
| 90 | R | 80.7 | Confident | 74.9 | Confident | 180 Ų | 180 | 106.7 Ų | 106.7 | 68% | 0.679 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 134.5 | -177.3 | -60 | -177.2 | -174.6 | -168.9 | 1.8 | 109.4 | T78 D88 | T78-R90 HydrophobicContact CG2-CB 3.68Å; T78-R90 HydrophobicContact CG2-CG 4.12Å; D88-R90 PolarHBondContact O-N 3.48Å |
| 91 | E | 75.2 | Confident | 75.2 | Confident | 68 Ų | 68 | 105.2 Ų | 105.2 | 32% | 0.318 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 134.5 | 171.3 | -167.3 | 146.1 | -110 | 0 | 0 | 108.9 | T78 V79 R81 F93 | T78-E91 CarbonylContact C-O 3.52Å; T78-E91 WeakPolarHBondContact CA-O 3.06Å; V79-E91 PolarHBondContact N-O 2.81Å; V79-E91 PolarHBondContact O-N 2.9Å; R81-E91 HydrophobicContact CG-CB 3.76Å; R81-E91 IonicContact CZ-OE1 3.35Å; R81-E91 IonicContact NE-OE1 3.01Å; R81-E91 PolarHBondContact NE-OE1 3.09Å; R81-E91 IonicContact NE-OE2 3.9Å; R81-E91 IonicContact NH2-OE1 2.82Å; R81-E91 PolarHBondContact NH2-OE1 3.18Å; E91-F93 HydrophobicContact CB-CE2 3.97Å; E91-F93 HydrophobicContact CB-CZ 4.42Å; E91-F93 HydrophobicContact CG-CD2 4.39Å; E91-F93 HydrophobicContact CG-CE1 4.44Å; E91-F93 HydrophobicContact CG-CE2 3.72Å; E91-F93 HydrophobicContact CG-CZ 3.75Å |
| 92 | Q | 76.1 | Confident | 75.8 | Confident | 113 Ų | 113 | 100.1 Ų | 100.1 | 53% | 0.528 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 115.1 | 178.7 | -62.3 | -67.9 | -7 | 0 | 0 | 107.6 | T78 | T78-Q92 PolarHBondContact OG1-NE2 3.39Å; T78-Q92 PolarHBondContact OG1-OE1 3.49Å |
| 93 | F | 70.2 | Confident | 76.3 | Confident | 96 Ų | 96 | 102.2 Ų | 102.2 | 42% | 0.421 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 139.2 | 168.6 | -64.7 | -84 | 0 | 0 | 0 | 108.4 | Y77 V79 E91 | Y77-F93 PolarHBondContact N-O 3.02Å; Y77-F93 PolarHBondContact O-N 2.85Å; V79-F93 HydrophobicContact CB-CD2 4.12Å; V79-F93 HydrophobicContact CB-CE2 3.98Å; V79-F93 HydrophobicContact CG2-CD2 3.88Å; V79-F93 HydrophobicContact CG2-CE2 4.16Å; E91-F93 HydrophobicContact CB-CE2 3.97Å; E91-F93 HydrophobicContact CB-CZ 4.42Å; E91-F93 HydrophobicContact CG-CD2 4.39Å; E91-F93 HydrophobicContact CG-CE1 4.44Å; E91-F93 HydrophobicContact CG-CE2 3.72Å; E91-F93 HydrophobicContact CG-CZ 3.75Å |
| 94 | E | 70.5 | Confident | 76.6 | Confident | 62 Ų | 62 | 97.5 Ų | 97.5 | 29% | 0.29 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 136.8 | 171.7 | 67.1 | 178.4 | -158.2 | 0 | 0 | 110.6 | R74 S75 L76 R96 | R74-E94 IonicContact CZ-OE2 3.9Å; R74-E94 IonicContact NE-OE2 3.1Å; R74-E94 PolarHBondContact NE-OE2 2.79Å; R74-E94 IonicContact NH2-OE2 3.76Å; R74-E94 PolarHBondContact NH2-OE2 2.98Å; S75-E94 CarbonylContact O-C 3.5Å; S75-E94 WeakPolarHBondContact O-CA 3.2Å; L76-E94 HydrophobicContact CD2-CB 3.65Å; E94-R96 IonicContact OE1-CZ 3.41Å; E94-R96 IonicContact OE1-NE 3.05Å; E94-R96 PolarHBondContact OE1-NE 3.36Å; E94-R96 IonicContact OE1-NH2 2.65Å; E94-R96 PolarHBondContact OE1-NH2 2.83Å; E94-R96 IonicContact OE2-NE 2.79Å; E94-R96 IonicContact OE2-NH2 2.72Å |
| 95 | M | 71.8 | Confident | 76.8 | Confident | 113 Ų | 113 | 93.7 Ų | 93.7 | 56% | 0.557 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 117 | 166.9 | -172.4 | 175.4 | -177.9 | 0 | 0 | 107.3 | S75 Y77 | S75-M95 PolarHBondContact N-O 3.03Å; S75-M95 PolarHBondContact O-N 3.37Å; Y77-M95 HydrophobicContact CE2-CB 4.27Å |
| 96 | R | 70.8 | Confident | 77.1 | Confident | 118 Ų | 118 | 91.4 Ų | 91.4 | 45% | 0.445 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 122.1 | 173.7 | -62.9 | -176.8 | -175.2 | -167.7 | 1.3 | 108.4 | T72 E94 | T72-R96 HydrophobicContact CG2-CB 3.94Å; E94-R96 IonicContact OE1-CZ 3.41Å; E94-R96 IonicContact OE1-NE 3.05Å; E94-R96 PolarHBondContact OE1-NE 3.36Å; E94-R96 IonicContact OE1-NH2 2.65Å; E94-R96 PolarHBondContact OE1-NH2 2.83Å; E94-R96 IonicContact OE2-NE 2.79Å; E94-R96 IonicContact OE2-NH2 2.72Å |
| 97 | T | 74.1 | Confident | 77.2 | Confident | 52 Ų | 52 | 89 Ų | 89 | 32% | 0.319 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 102.9 | 172 | -52.9 | 0 | 0 | 0 | 0 | 108.1 | T72 E73 K99 | T72-T97 WeakPolarHBondContact CA-O 3.12Å; E73-T97 PolarHBondContact N-O 2.86Å; E73-T97 VanDerWaalsContact N-O 3.1Å; E73-T97 PolarHBondContact O-N 2.78Å; T97-K99 HydrophobicContact CG2-CG 4.34Å |
| 98 | H | 77.3 | Confident | 77.4 | Confident | 67 Ų | 67 | 85.6 Ų | 85.6 | 31% | 0.31 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 135.5 | 172.9 | -60.2 | -76.7 | 0 | 0 | 0 | 109.4 | C43 T72 | C43-H98 WeakPolarHBondContact SG-CB 3.08Å; C43-H98 PolarHBondContact SG-CD2 3.4Å; T72-H98 PolarHBondContact OG1-ND1 2.79Å; T72-H98 VanDerWaalsContact OG1-ND1 3.1Å |
| 99 | K | 77.5 | Confident | 77.3 | Confident | 89 Ų | 89 | 84.2 Ų | 84.2 | 39% | 0.387 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.4 | -178.4 | -67.5 | 173.8 | -170.3 | 165.3 | 0 | 107.8 | L70 E73 T97 | L70-K99 HydrophobicContact CB-CB 3.83Å; L70-K99 HydrophobicContact CD1-CB 4.34Å; L70-K99 PolarHBondContact N-O 2.65Å; E73-K99 IonicContact OE2-NZ 2.93Å; E73-K99 PolarHBondContact OE2-NZ 3.45Å; E73-K99 VanDerWaalsContact OE2-NZ 3.11Å; T97-K99 HydrophobicContact CG2-CG 4.34Å |
| 100 | R | 81.2 | Confident | 77.5 | Confident | 93 Ų | 93 | 89.1 Ų | 89.1 | 35% | 0.351 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 129.3 | 172.6 | -62.1 | -60.3 | -173 | 153.9 | -9.1 | 108.3 | D47 A50 P67 I68 | D47-R100 IonicContact OD1-CZ 3.04Å; D47-R100 IonicContact OD1-NE 2.73Å; D47-R100 PolarHBondContact OD1-NE 3.22Å; D47-R100 IonicContact OD1-NH2 2.66Å; D47-R100 PolarHBondContact OD1-NH2 3.08Å; D47-R100 IonicContact OD2-NH2 3.13Å; D47-R100 PolarHBondContact OD2-NH2 3.13Å; D47-R100 VanDerWaalsContact OD2-NH2 3.13Å; A50-R100 HydrophobicContact CB-CB 4.42Å; A50-R100 HydrophobicContact CB-CG 4.29Å; P67-R100 HydrophobicContact CB-CB 4.35Å; I68-R100 WeakPolarHBondContact O-CA 3.31Å |
| 101 | L | 83.7 | Confident | 77.2 | Confident | 65 Ų | 65 | 80.6 Ų | 80.6 | 34% | 0.34 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 126.6 | 171.5 | -178.1 | 69.8 | 0 | 0 | 0 | 108.6 | P67 I68 L70 | P67-L101 CarbonylContact C-O 3.55Å; P67-L101 WeakPolarHBondContact CA-O 3.42Å; I68-L101 HydrophobicContact CB-CB 4.35Å; I68-L101 PolarHBondContact N-O 2.81Å; I68-L101 PolarHBondContact O-N 3.34Å; L70-L101 HydrophobicContact CD1-CB 4.09Å; L70-L101 HydrophobicContact CD2-CB 4.41Å; L70-L101 HydrophobicContact CG-CB 4.1Å |
| 102 | I | 86.1 | Confident | 77.2 | Confident | 42 Ų | 42 | 80.1 Ų | 80.1 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 113.4 | 175.9 | -56.9 | 168.2 | 0 | 0 | 0 | 106.3 | A50 I53 V54 V64 P67 | A50-I102 HydrophobicContact CB-CD1 3.96Å; I53-I102 HydrophobicContact CB-CD1 4.21Å; I53-I102 HydrophobicContact CG2-CD1 3.92Å; I53-I102 HydrophobicContact CG2-CG2 4.48Å; V54-I102 HydrophobicContact CG2-CD1 4.16Å; V54-I102 HydrophobicContact CG2-CG1 4.41Å; V54-I102 HydrophobicContact CG2-CG2 4.02Å; V64-I102 HydrophobicContact CG1-CG2 3.61Å; P67-I102 HydrophobicContact CB-CD1 4.37Å; P67-I102 HydrophobicContact CB-CG1 3.93Å |
| 103 | D | 81.5 | Confident | 77 | Confident | 74 Ų | 74 | 78.9 Ų | 78.9 | 40% | 0.396 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 124 | 177.6 | -68.3 | -24.4 | 0 | 0 | 0 | 109.1 | V64 S65 | V64-D103 CarbonylContact C-O 3.57Å; V64-D103 WeakPolarHBondContact CA-O 3.39Å; S65-D103 PolarHBondContact N-O 3.05Å; S65-D103 PolarHBondContact O-N 3.37Å |
| 104 | I | 84.4 | Confident | 77.2 | Confident | 49 Ų | 49 | 75.5 Ų | 75.5 | 25% | 0.251 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 102.6 | 173.3 | -55.5 | 179.8 | 0 | 0 | 0 | 107.4 | A57 A62 S63 V64 N106 P107 L115 | A57-I104 HydrophobicContact CB-CD1 4.06Å; A62-I104 HydrophobicContact CB-CG2 3.62Å; S63-I104 CarbonylContact O-C 3.53Å; S63-I104 WeakPolarHBondContact O-CA 3.03Å; V64-I104 HydrophobicContact CG2-CG1 4.39Å; I104-N106 PolarHBondContact O-N 2.77Å; I104-P107 HydrophobicContact CG2-CB 4.38Å; I104-L115 HydrophobicContact CD1-CD1 3.43Å; I104-L115 VanDerWaalsContact CD1-CD1 3.43Å |
| 105 | V | 76.7 | Confident | 77.3 | Confident | 81 Ų | 81 | 74.7 Ų | 74.7 | 49% | 0.491 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 103.6 | 178 | -172.2 | 0 | 0 | 0 | 0 | 106.7 | S63 | S63-V105 VanDerWaalsContact CB-O 3.29Å; S63-V105 WeakPolarHBondContact CB-O 3.47Å; S63-V105 PolarHBondContact O-N 2.82Å |
| 106 | N | 77.2 | Confident | 76.9 | Confident | 119 Ų | 119 | 73.1 Ų | 73.1 | 64% | 0.636 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 80 | 80.2 | -175.5 | -46.6 | -46.1 | 0 | 0 | 0 | 115.1 | I104 | I104-N106 PolarHBondContact O-N 2.77Š|
| 107 | P | 76.1 | Confident | 76.6 | Confident | 85 Ų | 85 | 74.6 Ų | 74.6 | 55% | 0.552 | 39% | 0.391 | S | S | * | . | trans | -73 | 128.5 | 172.7 | 30 | -32.8 | 0 | 0 | 0 | 111.1 | I104 V112 | I104-P107 HydrophobicContact CG2-CB 4.38Å; P107-V112 HydrophobicContact CB-CG2 4.2Å | ||
| 108 | T | 78.6 | Confident | 75.5 | Confident | 49 Ų | 49 | 74.5 Ų | 74.5 | 30% | 0.301 | 39% | 0.388 | S | S | . | . | trans | -83.9 | 152.1 | 165.6 | 73.2 | 0 | 0 | 0 | 0 | 109.8 | K110 T111 V112 | T108-K110 PolarHBondContact O-N 3.44Å; T108-T111 WeakPolarHBondContact O-CA 3.24Å; T108-T111 VanDerWaalsContact O-CB 3.25Å; T108-T111 WeakPolarHBondContact O-CB 3.31Å; T108-T111 PolarHBondContact O-N 2.95Å; T108-T111 PolarHBondContact OG1-N 2.61Å; T108-T111 VanDerWaalsContact OG1-N 3.09Å; T108-T111 PolarHBondContact OG1-OG1 3Å; T108-V112 PolarHBondContact O-N 2.91Å; T108-V112 VanDerWaalsContact O-N 3.1Å | ||
| 109 | P | 78.3 | Confident | 73.9 | Confident | 107 Ų | 107 | 79.2 Ų | 79.2 | 70% | 0.695 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -54.1 | -37.1 | 175.4 | -26.6 | 34.5 | 0 | 0 | 0 | 112.5 | T111 V112 D113 | P109-T111 VanDerWaalsContact C-N 3.33Å; P109-T111 PolarHBondContact O-N 3.28Å; P109-V112 PolarHBondContact O-N 3.35Å; P109-D113 PolarHBondContact O-N 2.85Å |
| 110 | K | 78.9 | Confident | 71.9 | Confident | 150 Ų | 150 | 81.1 Ų | 81.1 | 65% | 0.652 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.3 | -36.8 | 174.6 | -170.8 | 179 | -178.4 | 179.9 | 0 | 112.8 | T60 T108 A114 | T60-K110 HydrophobicContact CG2-CG 4.26Å; T108-K110 PolarHBondContact O-N 3.44Å; K110-A114 WeakPolarHBondContact O-CB 3.44Å; K110-A114 PolarHBondContact O-N 2.75Å |
| 111 | T | 75.4 | Confident | 69.5 | Low | 1 Ų | 1 | 82.6 Ų | 82.6 | 1% | 0.006 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 174.1 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | A57 T60 A62 T108 P109 D113 A114 L115 | A57-T111 HydrophobicContact CB-CG2 4.18Å; T60-T111 VanDerWaalsContact CB-OG1 3.28Å; T60-T111 WeakPolarHBondContact CB-OG1 3.13Å; T60-T111 WeakPolarHBondContact OG1-CA 2.9Å; T60-T111 VanDerWaalsContact OG1-CB 3.32Å; T60-T111 WeakPolarHBondContact OG1-CB 3.26Å; T60-T111 WeakPolarHBondContact OG1-CG2 3.23Å; T60-T111 PolarHBondContact OG1-OG1 3.43Å; A62-T111 HydrophobicContact CB-CG2 3.77Å; T108-T111 WeakPolarHBondContact O-CA 3.24Å; T108-T111 VanDerWaalsContact O-CB 3.25Å; T108-T111 WeakPolarHBondContact O-CB 3.31Å; T108-T111 PolarHBondContact O-N 2.95Å; T108-T111 PolarHBondContact OG1-N 2.61Å; T108-T111 VanDerWaalsContact OG1-N 3.09Å; T108-T111 PolarHBondContact OG1-OG1 3Å; P109-T111 VanDerWaalsContact C-N 3.33Å; P109-T111 PolarHBondContact O-N 3.28Å; T111-D113 VanDerWaalsContact C-N 3.34Å; T111-D113 PolarHBondContact O-N 3Å; T111-A114 PolarHBondContact O-N 3.39Å; T111-L115 HydrophobicContact CG2-CD1 3.8Å; T111-L115 HydrophobicContact CG2-CG 4.26Å; T111-L115 WeakPolarHBondContact O-CB 3.44Å; T111-L115 VanDerWaalsContact O-CG 3.25Å; T111-L115 WeakPolarHBondContact O-CG 3.49Å; T111-L115 PolarHBondContact O-N 3.32Å |
| 112 | V | 75.6 | Confident | 66.8 | Low | 57 Ų | 57 | 84 Ų | 84 | 35% | 0.345 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 178.3 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | P107 T108 P109 A114 L115 M116 | P107-V112 HydrophobicContact CB-CG2 4.2Å; T108-V112 PolarHBondContact O-N 2.91Å; T108-V112 VanDerWaalsContact O-N 3.1Å; P109-V112 PolarHBondContact O-N 3.35Å; V112-A114 PolarHBondContact O-N 2.81Å; V112-L115 PolarHBondContact O-N 2.95Å; V112-M116 HydrophobicContact CG1-CE 3.57Å; V112-M116 HydrophobicContact CG1-CG 4.45Å; V112-M116 HydrophobicContact CG1-SD 4.13Å; V112-M116 WeakPolarHBondContact O-CB 3.49Å; V112-M116 VanDerWaalsContact O-CG 3.25Å; V112-M116 WeakPolarHBondContact O-CG 3.49Å; V112-M116 PolarHBondContact O-N 3.17Å |
| 113 | D | 70.5 | Confident | 64.2 | Low | 87 Ų | 87 | 82.8 Ų | 82.8 | 47% | 0.465 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 177.8 | -75.8 | -11.1 | 0 | 0 | 0 | 112.8 | P109 T111 M116 K117 | P109-D113 PolarHBondContact O-N 2.85Å; T111-D113 VanDerWaalsContact C-N 3.34Å; T111-D113 PolarHBondContact O-N 3Å; D113-M116 PolarHBondContact O-N 2.88Å; D113-K117 WeakPolarHBondContact O-CB 3.42Å; D113-K117 WeakPolarHBondContact O-CG 3.23Å; D113-K117 PolarHBondContact O-N 3.43Å |
| 114 | A | 74.6 | Confident | 62.3 | Low | 26 Ų | 26 | 84.1 Ų | 84.1 | 22% | 0.215 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T56 T60 K110 T111 V112 M116 K117 L118 | T56-A114 HydrophobicContact CG2-CB 3.6Å; T60-A114 HydrophobicContact CG2-CB 3.58Å; K110-A114 WeakPolarHBondContact O-CB 3.44Å; K110-A114 PolarHBondContact O-N 2.75Å; T111-A114 PolarHBondContact O-N 3.39Å; V112-A114 PolarHBondContact O-N 2.81Å; A114-M116 VanDerWaalsContact C-N 3.35Å; A114-K117 PolarHBondContact O-N 3.46Å; A114-L118 PolarHBondContact O-N 2.85Å |
| 115 | L | 72.6 | Confident | 60.3 | Low | 44 Ų | 44 | 82.8 Ų | 82.8 | 23% | 0.23 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 175.6 | -72.2 | 173.8 | 0 | 0 | 0 | 111.9 | I53 T56 A57 I104 T111 V112 K117 L118 | I53-L115 HydrophobicContact CB-CD2 4.47Å; I53-L115 HydrophobicContact CG2-CD2 3.89Å; T56-L115 HydrophobicContact CG2-CD2 4.24Å; A57-L115 HydrophobicContact CB-CD2 4.48Å; I104-L115 HydrophobicContact CD1-CD1 3.43Å; I104-L115 VanDerWaalsContact CD1-CD1 3.43Å; T111-L115 HydrophobicContact CG2-CD1 3.8Å; T111-L115 HydrophobicContact CG2-CG 4.26Å; T111-L115 WeakPolarHBondContact O-CB 3.44Å; T111-L115 VanDerWaalsContact O-CG 3.25Å; T111-L115 WeakPolarHBondContact O-CG 3.49Å; T111-L115 PolarHBondContact O-N 3.32Å; V112-L115 PolarHBondContact O-N 2.95Å; L115-K117 VanDerWaalsContact C-N 3.32Å; L115-L118 HydrophobicContact CD2-CD1 4.2Å; L115-L118 PolarHBondContact O-N 2.82Å |
| 116 | M | 64.5 | Low | 59.1 | Low | 80 Ų | 80 | 82.7 Ų | 82.7 | 39% | 0.394 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 173.4 | -74.8 | -177 | 179.2 | 0 | 0 | 110.5 | V112 D113 A114 L118 R299 | V112-M116 HydrophobicContact CG1-CE 3.57Å; V112-M116 HydrophobicContact CG1-CG 4.45Å; V112-M116 HydrophobicContact CG1-SD 4.13Å; V112-M116 WeakPolarHBondContact O-CB 3.49Å; V112-M116 VanDerWaalsContact O-CG 3.25Å; V112-M116 WeakPolarHBondContact O-CG 3.49Å; V112-M116 PolarHBondContact O-N 3.17Å; D113-M116 PolarHBondContact O-N 2.88Å; A114-M116 VanDerWaalsContact C-N 3.35Å; M116-L118 PolarHBondContact O-N 3.45Å; M116-R299 PolarHBondContact O-NH1 3.21Å; M116-R299 PolarHBondContact O-NH2 3.08Å |
| 117 | K | 63.9 | Low | 58.1 | Low | 150 Ų | 150 | 77.6 Ų | 77.6 | 65% | 0.652 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 1.6 | -177.2 | -72.8 | 172.2 | -174.7 | 178.9 | 0 | 115.1 | D113 A114 L115 D119 | D113-K117 WeakPolarHBondContact O-CB 3.42Å; D113-K117 WeakPolarHBondContact O-CG 3.23Å; D113-K117 PolarHBondContact O-N 3.43Å; A114-K117 PolarHBondContact O-N 3.46Å; L115-K117 VanDerWaalsContact C-N 3.32Å; K117-D119 PolarHBondContact O-N 3.44Å |
| 118 | L | 50.9 | Low | 57.5 | Low | 50 Ų | 50 | 78.4 Ų | 78.4 | 26% | 0.262 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -65.6 | 119.9 | 170.4 | -76.4 | 168.9 | 0 | 0 | 0 | 110.1 | I53 A114 L115 M116 L120 | I53-L118 HydrophobicContact CG1-CD1 3.93Å; A114-L118 PolarHBondContact O-N 2.85Å; L115-L118 HydrophobicContact CD2-CD1 4.2Å; L115-L118 PolarHBondContact O-N 2.82Å; M116-L118 PolarHBondContact O-N 3.45Å; L118-L120 PolarHBondContact O-N 2.93Å |
| 119 | D | 43.1 | Very low | 57 | Low | 166 Ų | 166 | 79.4 Ų | 79.4 | 89% | 0.888 | 44% | 0.437 | S | S | * | . | trans | -67.1 | 97.3 | 175.8 | -74.4 | -36.8 | 0 | 0 | 0 | 110.4 | K117 | K117-D119 PolarHBondContact O-N 3.44Š| ||
| 120 | L | 36.9 | Very low | 56.4 | Low | 128 Ų | 128 | 80.1 Ų | 80.1 | 67% | 0.67 | 43% | 0.431 | S | S | * | . | trans | -106.7 | 132.4 | 166.3 | -66.8 | 173.6 | 0 | 0 | 0 | 108.5 | L118 S122 | L118-L120 PolarHBondContact O-N 2.93Å; L120-S122 PolarHBondContact O-N 3.43Å | ||
| 121 | P | 30.4 | Very low | 56.1 | Low | 124 Ų | 124 | 75.4 Ų | 75.4 | 81% | 0.805 | 41% | 0.413 | S | S | * | . | trans | -66.3 | 102.6 | -165.2 | 20.7 | -30.8 | 0 | 0 | 0 | 114.8 | ||||
| 122 | S | 27.4 | Very low | 55.7 | Low | 94 Ų | 94 | 81.6 Ų | 81.6 | 66% | 0.657 | 44% | 0.44 | S | S | * | . | trans | 45.9 | 154.6 | 135.6 | 69.8 | 0 | 0 | 0 | 0 | 123.3 | L120 | L120-S122 PolarHBondContact O-N 3.43Š| ||
| 123 | G | 31.4 | Very low | 55.2 | Low | 17 Ų | 17 | 80.9 Ų | 80.9 | 18% | 0.175 | 44% | 0.436 | C | S | . | . | trans | -92.5 | -158.6 | -160.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | E145 | G123-E145 VanDerWaalsContact CA-OE1 3.3Å; G123-E145 WeakPolarHBondContact CA-OE1 3.28Å; G123-E145 WeakPolarHBondContact CA-OE2 3.44Å; G123-E145 PolarHBondContact N-OE1 3.3Å; G123-E145 PolarHBondContact N-OE2 2.9Å | ||
| 124 | K | 41.4 | Very low | 55.3 | Low | 103 Ų | 103 | 86.7 Ų | 86.7 | 45% | 0.448 | 46% | 0.46 | S | S | . | . | S | Bend | 102.2 | 156.1 | -112.1 | -91.7 | 157 | 143 | -128.4 | 0 | 112.1 | V126 E145 K313 | K124-V126 VanDerWaalsContact C-N 3.25Å; K124-V126 WeakPolarHBondContact O-CA 3.41Å; K124-V126 WeakPolarHBondContact O-CG2 3.06Å; K124-V126 PolarHBondContact O-N 3.46Å; K124-E145 PolarHBondContact N-OE2 3.06Å; K124-K313 VanDerWaalsContact CB-CA 3.45Å; K124-K313 HydrophobicContact CB-CB 3.47Å; K124-K313 VanDerWaalsContact CB-CB 3.47Å; K124-K313 HydrophobicContact CB-CD 4.23Å; K124-K313 HydrophobicContact CB-CG 3.54Å; K124-K313 HydrophobicContact CD-CB 3.34Å; K124-K313 HydrophobicContact CD-CD 3.73Å; K124-K313 HydrophobicContact CD-CG 3.78Å; K124-K313 WeakPolarHBondContact CE-O 3.45Å; K124-K313 VanDerWaalsContact CG-CA 3.45Å; K124-K313 HydrophobicContact CG-CB 3.38Å; K124-K313 HydrophobicContact CG-CD 4.43Å; K124-K313 HydrophobicContact CG-CG 3.94Å; K124-K313 PolarHBondContact NZ-O 3.33Å | |
| 125 | K | 41.5 | Very low | 55 | Low | 20 Ų | 20 | 90.1 Ų | 90.1 | 9% | 0.087 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -47.5 | 95.4 | 163.2 | 172.6 | 177.9 | -179.4 | 178.2 | 0 | 108.3 | T142 V308 K313 I316 | K125-T142 HydrophobicContact CD-CG2 4.07Å; K125-T142 HydrophobicContact CG-CG2 3.9Å; K125-V308 PolarHBondContact NZ-O 2.91Å; K125-K313 PolarHBondContact O-N 3.07Å; K125-I316 HydrophobicContact CB-CD1 4.38Å |
| 126 | V | 51.3 | Low | 54.4 | Low | 80 Ų | 80 | 90.7 Ų | 90.7 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | trans | -72.3 | -46.8 | -163.4 | -174.6 | 0 | 0 | 0 | 0 | 107.3 | K124 V143 | K124-V126 VanDerWaalsContact C-N 3.25Å; K124-V126 WeakPolarHBondContact O-CA 3.41Å; K124-V126 WeakPolarHBondContact O-CG2 3.06Å; K124-V126 PolarHBondContact O-N 3.46Å; V126-V143 HydrophobicContact CB-CB 4.47Å; V126-V143 HydrophobicContact CG2-CG1 4.16Å | ||
| 127 | G | 56.5 | Low | 54.5 | Low | 12 Ų | 12 | 92.5 Ų | 92.5 | 12% | 0.124 | 51% | 0.506 | C | S | . | . | trans | -176.8 | -177.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V143 | G127-V143 PolarHBondContact O-N 2.72Š| ||
| 128 | M | 63.2 | Low | 54.7 | Low | 102 Ų | 102 | 89.2 Ų | 89.2 | 50% | 0.502 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 136.2 | 158.5 | -74.8 | 161.2 | 174.1 | 0 | 0 | 106.5 | V141 N307 | M128-V141 WeakPolarHBondContact CA-O 3.39Å; M128-N307 HydrophobicContact CE-CB 4.32Å; M128-N307 WeakPolarHBondContact CE-OD1 3.28Å |
| 129 | T | 68.4 | Low | 55.8 | Low | 69 Ų | 69 | 87.6 Ų | 87.6 | 42% | 0.423 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 164.6 | 170.7 | 53 | 0 | 0 | 0 | 0 | 107.8 | V141 V143 | T129-V141 PolarHBondContact N-O 3.09Å; T129-V141 VanDerWaalsContact O-CG2 3.3Å; T129-V141 WeakPolarHBondContact O-CG2 3.47Å; T129-V141 PolarHBondContact O-N 3.37Å; T129-V141 WeakPolarHBondContact OG1-CG2 3.31Å; T129-V143 HydrophobicContact CG2-CG2 4.11Å; T129-V143 WeakPolarHBondContact OG1-CG2 3.49Å |
| 130 | Q | 65.7 | Low | 57.6 | Low | 122 Ų | 122 | 83.3 Ų | 83.3 | 57% | 0.57 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 133.1 | 173.1 | 60.8 | -167.7 | 23.9 | 0 | 0 | 107.5 | L138 | Q130-L138 HydrophobicContact CB-CD1 4.45Å; Q130-L138 HydrophobicContact CB-CD2 4.01Å; Q130-L138 HydrophobicContact CB-CG 4.1Å |
| 131 | I | 72.1 | Confident | 59.9 | Low | 52 Ų | 52 | 77.2 Ų | 77.2 | 27% | 0.267 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 138.5 | 174.9 | -63.8 | 176.2 | 0 | 0 | 0 | 107.1 | I139 V141 L303 | I131-I139 PolarHBondContact N-O 2.83Å; I131-I139 VanDerWaalsContact N-O 3.13Å; I131-I139 PolarHBondContact O-N 3.16Å; I131-V141 HydrophobicContact CD1-CG1 4.27Å; I131-V141 HydrophobicContact CD1-CG2 3.65Å; I131-V141 HydrophobicContact CG1-CG2 3.73Å; I131-L303 HydrophobicContact CD1-CB 4.5Å; I131-L303 HydrophobicContact CD1-CD1 3.46Å; I131-L303 VanDerWaalsContact CD1-CD1 3.46Å; I131-L303 HydrophobicContact CD1-CD2 4.27Å; I131-L303 HydrophobicContact CD1-CG 4.28Å |
| 132 | F | 67.5 | Low | 62.4 | Low | 130 Ų | 130 | 71.3 Ų | 71.3 | 57% | 0.57 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 126.8 | 170.3 | -64.4 | -81 | 0 | 0 | 0 | 108.5 | E137 L138 | F132-E137 WeakPolarHBondContact CA-O 3.39Å; F132-L138 HydrophobicContact CD1-CB 4.42Å; F132-L138 HydrophobicContact CE1-CB 4.15Å; F132-L138 HydrophobicContact CE1-CD1 4.05Å; F132-L138 HydrophobicContact CE1-CG 4.28Å; F132-L138 HydrophobicContact CZ-CD1 4.19Å |
| 133 | T | 66.5 | Low | 65.1 | Low | 42 Ų | 42 | 67.8 Ų | 67.8 | 26% | 0.258 | 37% | 0.372 | S | S | . | . | trans | -74.3 | 166.8 | 169.2 | 53.8 | 0 | 0 | 0 | 0 | 110.5 | S135 G136 E137 I139 | T133-S135 PolarHBondContact O-N 3.32Å; T133-S135 PolarHBondContact OG1-OG 3.45Å; T133-G136 PolarHBondContact O-N 3.11Å; T133-E137 PolarHBondContact N-O 3.13Å; T133-E137 VanDerWaalsContact N-O 3.09Å; T133-E137 WeakPolarHBondContact OG1-CB 3.39Å; T133-E137 PolarHBondContact OG1-N 3.32Å; T133-E137 VanDerWaalsContact OG1-N 3.15Å; T133-E137 PolarHBondContact OG1-O 3.15Å; T133-I139 HydrophobicContact CG2-CD1 3.39Å; T133-I139 HydrophobicContact CG2-CG1 4.02Å | ||
| 134 | E | 70.8 | Confident | 67.6 | Low | 210 Ų | 210 | 67.4 Ų | 67.4 | 98% | 0.981 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -26.1 | 173.2 | -63.5 | 177.6 | 177.3 | 0 | 0 | 112.5 | G136 | E134-G136 PolarHBondContact O-N 2.91Š|
| 135 | S | 68.3 | Low | 69.5 | Low | 98 Ų | 98 | 64.7 Ų | 64.7 | 69% | 0.685 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -3.3 | 173.7 | 55.5 | 0 | 0 | 0 | 0 | 114.5 | T133 E137 | T133-S135 PolarHBondContact O-N 3.32Å; T133-S135 PolarHBondContact OG1-OG 3.45Å; S135-E137 VanDerWaalsContact C-N 3.3Å |
| 136 | G | 61.4 | Low | 71.3 | Confident | 55 Ų | 55 | 64.7 Ų | 64.7 | 57% | 0.567 | 36% | 0.358 | S | S | * | . | trans | 77.7 | 9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | T133 E134 | T133-G136 PolarHBondContact O-N 3.11Å; E134-G136 PolarHBondContact O-N 2.91Å | ||
| 137 | E | 66 | Low | 72.7 | Confident | 118 Ų | 118 | 63.5 Ų | 63.5 | 55% | 0.551 | 35% | 0.351 | S | S | * | . | trans | -77.8 | 136.1 | 177.1 | -167.5 | -179.6 | 170.9 | 0 | 0 | 110.9 | F132 T133 S135 | F132-E137 WeakPolarHBondContact CA-O 3.39Å; T133-E137 PolarHBondContact N-O 3.13Å; T133-E137 VanDerWaalsContact N-O 3.09Å; T133-E137 WeakPolarHBondContact OG1-CB 3.39Å; T133-E137 PolarHBondContact OG1-N 3.32Å; T133-E137 VanDerWaalsContact OG1-N 3.15Å; T133-E137 PolarHBondContact OG1-O 3.15Å; S135-E137 VanDerWaalsContact C-N 3.3Å | ||
| 138 | L | 67.3 | Low | 73.8 | Confident | 82 Ų | 82 | 64.6 Ų | 64.6 | 43% | 0.429 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 109.6 | 175.4 | -173.1 | 157.1 | 0 | 0 | 0 | 109.5 | Q130 F132 | Q130-L138 HydrophobicContact CB-CD1 4.45Å; Q130-L138 HydrophobicContact CB-CD2 4.01Å; Q130-L138 HydrophobicContact CB-CG 4.1Å; F132-L138 HydrophobicContact CD1-CB 4.42Å; F132-L138 HydrophobicContact CE1-CB 4.15Å; F132-L138 HydrophobicContact CE1-CD1 4.05Å; F132-L138 HydrophobicContact CE1-CG 4.28Å; F132-L138 HydrophobicContact CZ-CD1 4.19Å |
| 139 | I | 74.8 | Confident | 74.8 | Confident | 16 Ų | 16 | 61.6 Ų | 61.6 | 8% | 0.082 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 118.8 | 175.7 | -56.5 | -176.2 | 0 | 0 | 0 | 109.4 | I131 T133 V141 V293 K305 | I131-I139 PolarHBondContact N-O 2.83Å; I131-I139 VanDerWaalsContact N-O 3.13Å; I131-I139 PolarHBondContact O-N 3.16Å; T133-I139 HydrophobicContact CG2-CD1 3.39Å; T133-I139 HydrophobicContact CG2-CG1 4.02Å; I139-V141 HydrophobicContact CG2-CG1 3.97Å; I139-V141 PolarHBondContact O-N 2.84Å; I139-V293 HydrophobicContact CG2-CG2 4.3Å; I139-K305 HydrophobicContact CG2-CB 4.42Å; I139-K305 HydrophobicContact CG2-CD 4.04Å; I139-K305 HydrophobicContact CG2-CG 3.71Å |
| 140 | P | 81.1 | Confident | 75.5 | Confident | 75 Ų | 75 | 59 Ų | 59 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 122.8 | 169.9 | 29 | -32.1 | 0 | 0 | 0 | 108.6 | G306 | P140-G306 PolarHBondContact O-N 3.22Å |
| 141 | V | 84.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 146.2 | 178.9 | -62.4 | 0 | 0 | 0 | 0 | 111.2 | M128 T129 I131 I139 V293 L303 V304 | M128-V141 WeakPolarHBondContact CA-O 3.39Å; T129-V141 PolarHBondContact N-O 3.09Å; T129-V141 VanDerWaalsContact O-CG2 3.3Å; T129-V141 WeakPolarHBondContact O-CG2 3.47Å; T129-V141 PolarHBondContact O-N 3.37Å; T129-V141 WeakPolarHBondContact OG1-CG2 3.31Å; I131-V141 HydrophobicContact CD1-CG1 4.27Å; I131-V141 HydrophobicContact CD1-CG2 3.65Å; I131-V141 HydrophobicContact CG1-CG2 3.73Å; I139-V141 HydrophobicContact CG2-CG1 3.97Å; I139-V141 PolarHBondContact O-N 2.84Å; V141-V293 HydrophobicContact CG1-CB 4.21Å; V141-V293 HydrophobicContact CG1-CG1 4.47Å; V141-V293 HydrophobicContact CG1-CG2 3.77Å; V141-L303 HydrophobicContact CG2-CD2 4.25Å; V141-V304 CarbonylContact C-O 3.55Å; V141-V304 VanDerWaalsContact CA-O 3.31Å; V141-V304 WeakPolarHBondContact CA-O 3.37Å |
| 142 | T | 83 | Confident | 76.8 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 124.9 | 166.4 | -62.8 | 0 | 0 | 0 | 0 | 109.1 | K125 I144 V304 G306 V308 | K125-T142 HydrophobicContact CD-CG2 4.07Å; K125-T142 HydrophobicContact CG-CG2 3.9Å; T142-I144 HydrophobicContact CG2-CG1 4.32Å; T142-I144 PolarHBondContact O-N 2.83Å; T142-V304 PolarHBondContact N-O 3.15Å; T142-V304 PolarHBondContact O-N 3.06Å; T142-G306 PolarHBondContact OG1-O 3.28Å; T142-V308 HydrophobicContact CG2-CB 3.92Å; T142-V308 HydrophobicContact CG2-CG2 3.69Å |
| 143 | V | 84.8 | Confident | 77.5 | Confident | 20 Ų | 20 | 47 Ų | 47 | 12% | 0.121 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 117 | 172.1 | -170.9 | 0 | 0 | 0 | 0 | 109.2 | V126 G127 T129 V301 L303 | V126-V143 HydrophobicContact CB-CB 4.47Å; V126-V143 HydrophobicContact CG2-CG1 4.16Å; G127-V143 PolarHBondContact O-N 2.72Å; T129-V143 HydrophobicContact CG2-CG2 4.11Å; T129-V143 WeakPolarHBondContact OG1-CG2 3.49Å; V143-V301 HydrophobicContact CG1-CG1 3.4Å; V143-L303 HydrophobicContact CB-CD2 4.26Å; V143-L303 HydrophobicContact CG1-CD2 4.31Å; V143-L303 HydrophobicContact CG2-CD2 3.73Å |
| 144 | I | 84.3 | Confident | 78.4 | Confident | 10 Ų | 10 | 46.6 Ų | 46.6 | 5% | 0.051 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120 | 173.4 | -53.7 | -179.9 | 0 | 0 | 0 | 108.1 | T142 V301 I302 V304 V308 I318 | T142-I144 HydrophobicContact CG2-CG1 4.32Å; T142-I144 PolarHBondContact O-N 2.83Å; I144-V301 CarbonylContact O-C 3.49Å; I144-V301 WeakPolarHBondContact O-CA 3.41Å; I144-I302 HydrophobicContact CB-CB 4.46Å; I144-I302 PolarHBondContact N-O 2.8Å; I144-I302 PolarHBondContact O-N 3.49Å; I144-V304 HydrophobicContact CD1-CB 4.26Å; I144-V304 HydrophobicContact CD1-CG2 3.52Å; I144-V304 HydrophobicContact CG1-CG2 4.24Å; I144-V308 HydrophobicContact CD1-CG2 3.99Å; I144-V308 HydrophobicContact CG1-CG2 4.44Å; I144-I318 HydrophobicContact CD1-CD1 4Å; I144-I318 HydrophobicContact CG2-CD1 4.27Å |
| 145 | E | 81.5 | Confident | 79 | Confident | 46 Ų | 46 | 37.5 Ų | 37.5 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 129.9 | 166 | -176.6 | -166.9 | -126.6 | 0 | 0 | 108.8 | G123 K124 | G123-E145 VanDerWaalsContact CA-OE1 3.3Å; G123-E145 WeakPolarHBondContact CA-OE1 3.28Å; G123-E145 WeakPolarHBondContact CA-OE2 3.44Å; G123-E145 PolarHBondContact N-OE1 3.3Å; G123-E145 PolarHBondContact N-OE2 2.9Å; K124-E145 PolarHBondContact N-OE2 3.06Å |
| 146 | A | 78.9 | Confident | 79.8 | Confident | 19 Ų | 19 | 34.8 Ų | 34.8 | 16% | 0.157 | 20% | 0.204 | C | C | . | . | trans | -127.2 | 71.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | V215 N300 I302 | A146-V215 HydrophobicContact CB-CG2 3.77Å; A146-V215 WeakPolarHBondContact O-CG2 3.4Å; A146-N300 PolarHBondContact N-O 3.48Å; A146-I302 HydrophobicContact CB-CD1 4.01Å; A146-I302 HydrophobicContact CB-CG1 4.37Å | ||
| 147 | T | 80.8 | Confident | 80.7 | Confident | 55 Ų | 55 | 38.5 Ų | 38.5 | 34% | 0.337 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -50.7 | 144.7 | 171 | -45.9 | 0 | 0 | 0 | 0 | 110.7 | N149 | T147-N149 PolarHBondContact O-N 3.44Š|
| 148 | P | 79.3 | Confident | 81.5 | Confident | 35 Ų | 35 | 41.8 Ų | 41.8 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -48.9 | 129.7 | 179.4 | -30 | 35.2 | 0 | 0 | 0 | 112.7 | K214 | P148-K214 HydrophobicContact CB-CG 4.46Å; P148-K214 HydrophobicContact CG-CG 4.39Å |
| 149 | N | 83.2 | Confident | 82.1 | Confident | 40 Ų | 40 | 44.2 Ų | 44.2 | 21% | 0.214 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 141.7 | 177 | -61.3 | -68.5 | 0 | 0 | 0 | 109.3 | T147 L167 Y169 E212 V213 | T147-N149 PolarHBondContact O-N 3.44Å; N149-L167 HydrophobicContact CB-CB 4.45Å; N149-L167 HydrophobicContact CB-CD1 4.5Å; N149-L167 HydrophobicContact CB-CD2 4.46Å; N149-Y169 WeakPolarHBondContact OD1-CB 3.39Å; N149-Y169 VanDerWaalsContact OD1-CD2 3.28Å; N149-Y169 WeakPolarHBondContact OD1-CD2 3.44Å; N149-E212 CarbonylContact O-C 3.6Å; N149-E212 WeakPolarHBondContact O-CA 3.43Å; N149-V213 HydrophobicContact CB-CB 4.39Å; N149-V213 PolarHBondContact N-O 3.29Å; N149-V213 PolarHBondContact O-N 3.15Å |
| 150 | I | 83 | Confident | 82.5 | Confident | 14 Ų | 14 | 46.2 Ų | 46.2 | 7% | 0.072 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 136.5 | 178.5 | -73.5 | 154.1 | 0 | 0 | 0 | 110.1 | L152 L167 G168 T190 E212 | I150-L152 HydrophobicContact CG2-CD2 4.4Å; I150-L152 PolarHBondContact O-N 2.96Å; I150-L167 WeakPolarHBondContact O-CA 3.31Å; I150-G168 PolarHBondContact N-O 2.91Å; I150-G168 VanDerWaalsContact N-O 3.12Å; I150-G168 PolarHBondContact O-N 2.9Å; I150-T190 HydrophobicContact CD1-CG2 3.87Å; I150-T190 HydrophobicContact CG1-CG2 4.46Å; I150-T190 HydrophobicContact CG2-CG2 3.65Å; I150-E212 HydrophobicContact CG1-CG 3.98Å |
| 151 | V | 82.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 114.1 | 170.2 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | V154 V165 L167 Y207 E208 G210 K211 V213 | V151-V154 HydrophobicContact CG1-CG2 3.91Å; V151-V165 HydrophobicContact CG1-CG1 3.84Å; V151-V165 HydrophobicContact CG2-CG1 4.08Å; V151-L167 HydrophobicContact CB-CD2 4.35Å; V151-L167 HydrophobicContact CG2-CD2 3.64Å; V151-Y207 HydrophobicContact CG2-CD1 4.18Å; V151-E208 WeakPolarHBondContact CB-O 3.36Å; V151-G210 PolarHBondContact O-N 2.71Å; V151-K211 HydrophobicContact CG2-CB 4.46Å; V151-K211 PolarHBondContact N-O 2.73Å; V151-V213 HydrophobicContact CG2-CG2 4.16Å |
| 152 | L | 82.8 | Confident | 82.6 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -41 | 179.5 | -65.5 | 179.4 | 0 | 0 | 0 | 112.6 | I150 Q166 V185 A188 K193 I196 V209 | I150-L152 HydrophobicContact CG2-CD2 4.4Å; I150-L152 PolarHBondContact O-N 2.96Å; L152-Q166 PolarHBondContact N-O 3.22Å; L152-V185 HydrophobicContact CD1-CG2 4.39Å; L152-V185 HydrophobicContact CD2-CB 4.47Å; L152-V185 HydrophobicContact CD2-CG1 3.95Å; L152-V185 HydrophobicContact CD2-CG2 4.23Å; L152-A188 HydrophobicContact CD2-CB 4.15Å; L152-K193 HydrophobicContact CD2-CG 4.49Å; L152-I196 HydrophobicContact CD1-CD1 3.92Å; L152-I196 HydrophobicContact CD1-CG1 3.86Å; L152-I196 HydrophobicContact CD1-CG2 4.13Å; L152-V209 WeakPolarHBondContact O-CG1 3.49Å |
| 153 | Q | 83.6 | Confident | 82.6 | Confident | 50 Ų | 50 | 53.7 Ų | 53.7 | 23% | 0.234 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 138.6 | -179.2 | -174.1 | -177.2 | -4.5 | 0 | 0 | 109.3 | K155 D160 Q166 H184 | Q153-K155 HydrophobicContact CG-CG 4.35Å; Q153-D160 PolarHBondContact NE2-OD2 2.79Å; Q153-Q166 HydrophobicContact CB-CB 4.19Å; Q153-Q166 WeakPolarHBondContact O-CB 3.27Å; Q153-Q166 PolarHBondContact O-N 2.87Å; Q153-H184 PolarHBondContact OE1-CE1 3.43Å; Q153-H184 VanDerWaalsContact OE1-CE1 3.24Å |
| 154 | V | 85.2 | Confident | 82.3 | Confident | 32 Ų | 32 | 52.7 Ų | 52.7 | 19% | 0.194 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 119.3 | 166.9 | -178.1 | 0 | 0 | 0 | 0 | 106.8 | V151 L204 Y207 V209 | V151-V154 HydrophobicContact CG1-CG2 3.91Å; V154-L204 HydrophobicContact CG1-CD2 3.47Å; V154-L204 VanDerWaalsContact CG1-CD2 3.47Å; V154-Y207 VanDerWaalsContact CG2-O 3.31Å; V154-Y207 WeakPolarHBondContact CG2-O 3.45Å; V154-V209 HydrophobicContact CG2-CG2 4.02Å |
| 155 | K | 83.5 | Confident | 82.2 | Confident | 20 Ų | 20 | 52.4 Ų | 52.4 | 9% | 0.087 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124.7 | 177.6 | -65.3 | -172.1 | 163.2 | 174 | 0 | 108.8 | Q153 D160 Y162 E163 A164 E198 | Q153-K155 HydrophobicContact CG-CG 4.35Å; K155-D160 HydrophobicContact CB-CB 4.07Å; K155-D160 HydrophobicContact CD-CB 4.29Å; K155-D160 HydrophobicContact CG-CB 4.32Å; K155-D160 WeakPolarHBondContact CG-OD2 3.39Å; K155-Y162 CarbonylContact C-O 3.58Å; K155-Y162 HydrophobicContact CD-CE2 3.68Å; K155-Y162 WeakPolarHBondContact CD-OH 3.36Å; K155-Y162 PolarHBondContact NZ-OH 3.22Å; K155-E163 WeakPolarHBondContact O-CA 3.41Å; K155-A164 HydrophobicContact CB-CB 4.28Å; K155-A164 WeakPolarHBondContact CB-O 3.34Å; K155-A164 HydrophobicContact CD-CB 4.46Å; K155-A164 PolarHBondContact N-O 3.1Å; K155-A164 PolarHBondContact O-N 2.9Å; K155-A164 VanDerWaalsContact O-N 3.15Å; K155-E198 IonicContact NZ-OE1 2.72Å; K155-E198 PolarHBondContact NZ-OE1 2.88Å; K155-E198 IonicContact NZ-OE2 3.92Å |
| 156 | T | 83.6 | Confident | 82.1 | Confident | 41 Ų | 41 | 51.1 Ų | 51.1 | 25% | 0.252 | 28% | 0.276 | S | S | . | . | trans | -110.8 | 157.2 | -179.9 | 60.3 | 0 | 0 | 0 | 0 | 110.2 | E158 N159 D160 Y162 | T156-E158 PolarHBondContact O-N 3.15Å; T156-N159 PolarHBondContact O-N 2.74Å; T156-N159 PolarHBondContact OG1-ND2 2.86Å; T156-D160 PolarHBondContact O-N 3.43Å; T156-Y162 CarbonylContact C-O 3.55Å | ||
| 157 | M | 81.3 | Confident | 82.3 | Confident | 133 Ų | 133 | 51.4 Ų | 51.4 | 66% | 0.655 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.2 | -36.2 | 179.2 | -173.2 | 174 | -98.6 | 0 | 0 | 112.5 | G161 | M157-G161 WeakPolarHBondContact O-CA 3.45Å; M157-G161 PolarHBondContact O-N 3.05Å |
| 158 | E | 82.4 | Confident | 82.4 | Confident | 186 Ų | 186 | 48.8 Ų | 48.8 | 87% | 0.869 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -68.7 | -37.5 | -179 | -62.2 | -179.8 | 169 | 0 | 0 | 113.6 | T156 | T156-E158 PolarHBondContact O-N 3.15Å |
| 159 | N | 80.7 | Confident | 82.5 | Confident | 133 Ų | 133 | 49.3 Ų | 49.3 | 71% | 0.711 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -92.2 | -44.6 | -174.6 | -71.5 | -38.8 | 0 | 0 | 0 | 113.2 | T156 | T156-N159 PolarHBondContact O-N 2.74Å; T156-N159 PolarHBondContact OG1-ND2 2.86Å |
| 160 | D | 83.4 | Confident | 82.3 | Confident | 59 Ų | 59 | 51.3 Ų | 51.3 | 32% | 0.316 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -113.5 | -10 | -169.3 | -70.3 | -88.5 | 0 | 0 | 0 | 113.3 | Q153 K155 T156 Y162 | Q153-D160 PolarHBondContact NE2-OD2 2.79Å; K155-D160 HydrophobicContact CB-CB 4.07Å; K155-D160 HydrophobicContact CD-CB 4.29Å; K155-D160 HydrophobicContact CG-CB 4.32Å; K155-D160 WeakPolarHBondContact CG-OD2 3.39Å; T156-D160 PolarHBondContact O-N 3.43Å; D160-Y162 VanDerWaalsContact C-N 3.31Å; D160-Y162 HydrophobicContact CB-CD1 4.43Å; D160-Y162 HydrophobicContact CB-CE1 4.21Å; D160-Y162 VanDerWaalsContact O-CD1 3.32Å; D160-Y162 WeakPolarHBondContact O-CD1 3.16Å |
| 161 | G | 83.3 | Confident | 82.3 | Confident | 57 Ų | 57 | 55.4 Ų | 55.4 | 59% | 0.588 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 79.7 | 5.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | M157 | M157-G161 WeakPolarHBondContact O-CA 3.45Å; M157-G161 PolarHBondContact O-N 3.05Å |
| 162 | Y | 83.7 | Confident | 82.2 | Confident | 75 Ų | 75 | 57.9 Ų | 57.9 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -159 | 160.3 | 173.2 | 62.1 | -81 | 0 | 0 | 0 | 111.4 | K155 T156 D160 A164 | K155-Y162 CarbonylContact C-O 3.58Å; K155-Y162 HydrophobicContact CD-CE2 3.68Å; K155-Y162 WeakPolarHBondContact CD-OH 3.36Å; K155-Y162 PolarHBondContact NZ-OH 3.22Å; T156-Y162 CarbonylContact C-O 3.55Å; D160-Y162 VanDerWaalsContact C-N 3.31Å; D160-Y162 HydrophobicContact CB-CD1 4.43Å; D160-Y162 HydrophobicContact CB-CE1 4.21Å; D160-Y162 VanDerWaalsContact O-CD1 3.32Å; D160-Y162 WeakPolarHBondContact O-CD1 3.16Å; Y162-A164 HydrophobicContact CD2-CB 3.94Å; Y162-A164 HydrophobicContact CE2-CB 3.81Å |
| 163 | E | 81.8 | Confident | 82.2 | Confident | 99 Ų | 99 | 66.9 Ų | 66.9 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | trans | -96 | 123.5 | -179.9 | -59.2 | -175.3 | 164 | 0 | 0 | 111 | K155 L204 | K155-E163 WeakPolarHBondContact O-CA 3.41Å; E163-L204 HydrophobicContact CB-CD1 4.07Å; E163-L204 HydrophobicContact CG-CD1 3.84Å | ||
| 164 | A | 79.1 | Confident | 82 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 148.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K155 Y162 F199 K200 | K155-A164 HydrophobicContact CB-CB 4.28Å; K155-A164 WeakPolarHBondContact CB-O 3.34Å; K155-A164 HydrophobicContact CD-CB 4.46Å; K155-A164 PolarHBondContact N-O 3.1Å; K155-A164 PolarHBondContact O-N 2.9Å; K155-A164 VanDerWaalsContact O-N 3.15Å; Y162-A164 HydrophobicContact CD2-CB 3.94Å; Y162-A164 HydrophobicContact CE2-CB 3.81Å; A164-F199 CarbonylContact C-O 3.57Å; A164-F199 WeakPolarHBondContact CA-O 3.48Å; A164-F199 WeakPolarHBondContact CB-O 3.49Å; A164-K200 HydrophobicContact CB-CG 4.25Å |
| 165 | V | 81.9 | Confident | 81.9 | Confident | 4 Ų | 4 | 74.2 Ų | 74.2 | 2% | 0.024 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 128 | 169.1 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | V151 L167 E198 F199 V202 L204 Y207 | V151-V165 HydrophobicContact CG1-CG1 3.84Å; V151-V165 HydrophobicContact CG2-CG1 4.08Å; V165-L167 HydrophobicContact CG1-CD2 4.15Å; V165-L167 HydrophobicContact CG1-CG 4.34Å; V165-E198 WeakPolarHBondContact O-CA 3.49Å; V165-F199 PolarHBondContact N-O 2.83Å; V165-F199 PolarHBondContact O-N 3.09Å; V165-V202 HydrophobicContact CG2-CB 4.26Å; V165-V202 HydrophobicContact CG2-CG1 4.3Å; V165-L204 HydrophobicContact CG2-CD2 4.46Å; V165-Y207 HydrophobicContact CG2-CD2 4.31Å; V165-Y207 HydrophobicContact CG2-CG 4.44Å |
| 166 | Q | 79.7 | Confident | 81.9 | Confident | 19 Ų | 19 | 79.5 Ų | 79.5 | 9% | 0.089 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117 | 174.9 | -168.9 | -177 | 59.8 | 0 | 0 | 110.3 | L152 Q153 H184 I196 E198 | L152-Q166 PolarHBondContact N-O 3.22Å; Q153-Q166 HydrophobicContact CB-CB 4.19Å; Q153-Q166 WeakPolarHBondContact O-CB 3.27Å; Q153-Q166 PolarHBondContact O-N 2.87Å; Q166-H184 PolarHBondContact OE1-NE2 3.06Å; Q166-I196 HydrophobicContact CG-CG2 3.34Å; Q166-I196 VanDerWaalsContact NE2-CG2 3.33Å; Q166-E198 HydrophobicContact CB-CG 4.35Å; Q166-E198 HydrophobicContact CG-CG 4.11Å |
| 167 | L | 84.2 | Confident | 81.8 | Confident | 24 Ų | 24 | 78.4 Ų | 78.4 | 13% | 0.126 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 137.2 | 179.1 | -66.5 | 179.2 | 0 | 0 | 0 | 111.3 | N149 I150 V151 V165 I196 R197 F199 V213 | N149-L167 HydrophobicContact CB-CB 4.45Å; N149-L167 HydrophobicContact CB-CD1 4.5Å; N149-L167 HydrophobicContact CB-CD2 4.46Å; I150-L167 WeakPolarHBondContact O-CA 3.31Å; V151-L167 HydrophobicContact CB-CD2 4.35Å; V151-L167 HydrophobicContact CG2-CD2 3.64Å; V165-L167 HydrophobicContact CG1-CD2 4.15Å; V165-L167 HydrophobicContact CG1-CG 4.34Å; L167-I196 WeakPolarHBondContact O-CA 3.48Å; L167-R197 PolarHBondContact N-O 2.89Å; L167-R197 PolarHBondContact O-N 3.5Å; L167-F199 HydrophobicContact CB-CD2 4.45Å; L167-F199 HydrophobicContact CB-CE2 4.21Å; L167-F199 HydrophobicContact CD1-CD2 3.79Å; L167-F199 HydrophobicContact CD1-CE2 3.63Å; L167-F199 HydrophobicContact CD1-CZ 4.41Å; L167-F199 HydrophobicContact CG-CD2 4.18Å; L167-F199 HydrophobicContact CG-CE2 4.24Å; L167-V213 HydrophobicContact CD2-CG2 3.9Å |
| 168 | G | 81.3 | Confident | 82 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 131 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I150 F195 | I150-G168 PolarHBondContact N-O 2.91Å; I150-G168 VanDerWaalsContact N-O 3.12Å; I150-G168 PolarHBondContact O-N 2.9Å; G168-F195 WeakPolarHBondContact CA-O 3.47Å |
| 169 | Y | 81.7 | Confident | 82.2 | Confident | 47 Ų | 47 | 77.1 Ų | 77.1 | 18% | 0.184 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 139.6 | 177.8 | 177.1 | -100.8 | 0 | 0 | 0 | 111.2 | N149 R194 F195 L315 | N149-Y169 WeakPolarHBondContact OD1-CB 3.39Å; N149-Y169 VanDerWaalsContact OD1-CD2 3.28Å; N149-Y169 WeakPolarHBondContact OD1-CD2 3.44Å; Y169-R194 PolarHBondContact O-N 2.76Å; Y169-F195 HydrophobicContact CD1-CB 4.47Å; Y169-F195 AromaticContact CD1-CD2 3.87Å; Y169-F195 HydrophobicContact CD1-CD2 3.87Å; Y169-F195 HydrophobicContact CE1-CD2 4.46Å; Y169-F195 PolarHBondContact N-O 3.46Å; Y169-F195 PolarHBondContact O-N 3.24Å; Y169-L315 HydrophobicContact CD1-CD1 3.49Å; Y169-L315 VanDerWaalsContact CD1-CD1 3.49Å; Y169-L315 HydrophobicContact CE1-CD1 3.79Å; Y169-L315 HydrophobicContact CG-CD1 4.35Å |
| 170 | Q | 79.7 | Confident | 82.4 | Confident | 82 Ų | 82 | 75.4 Ų | 75.4 | 38% | 0.383 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 63 | 129.1 | 179.5 | -177.3 | 176.5 | 8.1 | 0 | 0 | 115 | K193 R194 F195 | Q170-K193 CarbonylContact O-C 3.56Å; Q170-K193 VanDerWaalsContact O-CA 3.26Å; Q170-K193 WeakPolarHBondContact O-CA 3.47Å; Q170-R194 HydrophobicContact CB-CB 4.31Å; Q170-R194 HydrophobicContact CG-CB 4.35Å; Q170-R194 PolarHBondContact O-N 3Å; Q170-F195 HydrophobicContact CB-CD2 4.42Å |
| 171 | D | 83.3 | Confident | 82.4 | Confident | 100 Ų | 100 | 74.1 Ų | 74.1 | 54% | 0.535 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 140 | 173.9 | -65.8 | -40.2 | 0 | 0 | 0 | 112.7 | K193 | D171-K193 WeakPolarHBondContact OD1-CD 3.37Å; D171-K193 WeakPolarHBondContact OD1-CE 3.11Å; D171-K193 IonicContact OD1-NZ 2.63Å; D171-K193 PolarHBondContact OD1-NZ 3.13Å |
| 172 | M | 81 | Confident | 82.4 | Confident | 52 Ų | 52 | 75.2 Ų | 75.2 | 26% | 0.256 | 37% | 0.369 | S | S | . | . | trans | -118.4 | 136.5 | 173.6 | -177.8 | -178.5 | -76.7 | 0 | 0 | 108.7 | E174 L176 P192 R194 | M172-E174 PolarHBondContact O-N 3.34Å; M172-L176 HydrophobicContact CG-CB 3.89Å; M172-L176 HydrophobicContact CG-CD1 4.35Å; M172-L176 HydrophobicContact SD-CB 3.88Å; M172-P192 WeakPolarHBondContact CA-O 3.26Å; M172-P192 WeakPolarHBondContact CB-O 3.41Å; M172-P192 PolarHBondContact N-O 3.44Å; M172-R194 HydrophobicContact CB-CB 4.37Å; M172-R194 HydrophobicContact CE-CB 3.91Å; M172-R194 HydrophobicContact CE-CG 3.72Å | ||
| 173 | R | 81.5 | Confident | 82.4 | Confident | 191 Ų | 191 | 73.7 Ų | 73.7 | 72% | 0.721 | 38% | 0.377 | S | S | * | . | trans | -58.6 | 135.1 | 174.6 | -170.3 | 175.6 | -176.4 | 179.7 | 1.6 | 110.4 | V175 L176 | R173-V175 PolarHBondContact O-N 2.94Å; R173-V175 VanDerWaalsContact O-N 3.07Å; R173-L176 HydrophobicContact CB-CD1 4.39Å; R173-L176 HydrophobicContact CB-CG 4.48Å; R173-L176 WeakPolarHBondContact O-CB 3.45Å; R173-L176 PolarHBondContact O-N 2.86Å | ||
| 174 | E | 79.3 | Confident | 82.4 | Confident | 121 Ų | 121 | 71.2 Ų | 71.2 | 57% | 0.565 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -55.8 | -31.7 | -175.7 | -65.7 | -174.9 | -177.1 | 0 | 0 | 114.8 | M172 L176 S177 K182 P192 | M172-E174 PolarHBondContact O-N 3.34Å; E174-L176 PolarHBondContact O-N 2.62Å; E174-S177 PolarHBondContact O-N 2.67Å; E174-K182 WeakPolarHBondContact O-CE 3.44Å; E174-K182 PolarHBondContact O-NZ 2.9Å; E174-P192 HydrophobicContact CG-CG 4.23Å |
| 175 | V | 83.9 | Confident | 82.6 | Confident | 116 Ų | 116 | 71.4 Ų | 71.4 | 70% | 0.703 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -64.2 | -26.9 | 178.9 | -178.4 | 0 | 0 | 0 | 0 | 112 | R173 | R173-V175 PolarHBondContact O-N 2.94Å; R173-V175 VanDerWaalsContact O-N 3.07Å |
| 176 | L | 84 | Confident | 82.5 | Confident | 131 Ų | 131 | 73.9 Ų | 73.9 | 69% | 0.686 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -86.4 | -10.3 | 179.7 | -58.4 | 177.2 | 0 | 0 | 0 | 112.8 | M172 R173 E174 | M172-L176 HydrophobicContact CG-CB 3.89Å; M172-L176 HydrophobicContact CG-CD1 4.35Å; M172-L176 HydrophobicContact SD-CB 3.88Å; R173-L176 HydrophobicContact CB-CD1 4.39Å; R173-L176 HydrophobicContact CB-CG 4.48Å; R173-L176 WeakPolarHBondContact O-CB 3.45Å; R173-L176 PolarHBondContact O-N 2.86Å; E174-L176 PolarHBondContact O-N 2.62Å |
| 177 | S | 80.9 | Confident | 82.5 | Confident | 18 Ų | 18 | 80.9 Ų | 80.9 | 13% | 0.126 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -93.4 | 137.4 | -178.1 | -173.7 | 0 | 0 | 0 | 0 | 111.5 | E174 K182 | E174-S177 PolarHBondContact O-N 2.67Å; S177-K182 WeakPolarHBondContact O-CE 3.47Å |
| 178 | N | 86.2 | Confident | 82.2 | Confident | 99 Ų | 99 | 80 Ų | 80 | 53% | 0.529 | 41% | 0.414 | S | S | . | . | trans | -76.2 | 159.6 | 175.3 | 66.8 | 4.8 | 0 | 0 | 0 | 111.2 | A181 K182 | N178-A181 PolarHBondContact O-N 3.29Å; N178-A181 WeakPolarHBondContact OD1-CB 3.24Å; N178-A181 PolarHBondContact OD1-N 2.82Å; N178-K182 WeakPolarHBondContact O-CG 3.43Å; N178-K182 PolarHBondContact O-N 3.05Å | ||
| 179 | K | 85.3 | Confident | 81.9 | Confident | 193 Ų | 193 | 87.4 Ų | 87.4 | 84% | 0.839 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -54.9 | -42.6 | -178.9 | -66 | -176.3 | 178.1 | -177.3 | 0 | 113.4 | K182 G183 | K179-K182 PolarHBondContact O-N 3.03Å; K179-G183 PolarHBondContact O-N 3.37Å |
| 180 | P | 86.3 | Confident | 81.6 | Confident | 97 Ų | 97 | 86.8 Ų | 86.8 | 63% | 0.63 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.9 | -42.4 | 177.9 | -23.9 | 35.6 | 0 | 0 | 0 | 114 | K182 G183 H184 | P180-K182 VanDerWaalsContact C-N 3.31Å; P180-K182 PolarHBondContact O-N 2.93Å; P180-G183 PolarHBondContact O-N 2.81Å; P180-H184 WeakPolarHBondContact O-CB 3.42Å; P180-H184 PolarHBondContact O-N 3.01Å |
| 181 | A | 82.4 | Confident | 81.6 | Confident | 31 Ų | 31 | 85 Ų | 85 | 26% | 0.256 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.6 | -35 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N178 H184 V185 | N178-A181 PolarHBondContact O-N 3.29Å; N178-A181 WeakPolarHBondContact OD1-CB 3.24Å; N178-A181 PolarHBondContact OD1-N 2.82Å; A181-H184 PolarHBondContact O-N 3.45Å; A181-V185 VanDerWaalsContact O-CG2 3.25Å; A181-V185 WeakPolarHBondContact O-CG2 3.31Å; A181-V185 PolarHBondContact O-N 2.63Å |
| 182 | K | 83.4 | Confident | 81.4 | Confident | 80 Ų | 80 | 80.7 Ų | 80.7 | 35% | 0.348 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 171.2 | -69.8 | -173.3 | -176.8 | -168 | 0 | 111.9 | E174 S177 N178 K179 P180 H184 V185 A186 P192 | E174-K182 WeakPolarHBondContact O-CE 3.44Å; E174-K182 PolarHBondContact O-NZ 2.9Å; S177-K182 WeakPolarHBondContact O-CE 3.47Å; N178-K182 WeakPolarHBondContact O-CG 3.43Å; N178-K182 PolarHBondContact O-N 3.05Å; K179-K182 PolarHBondContact O-N 3.03Å; P180-K182 VanDerWaalsContact C-N 3.31Å; P180-K182 PolarHBondContact O-N 2.93Å; K182-H184 VanDerWaalsContact C-N 3.28Å; K182-H184 PolarHBondContact O-N 3.17Å; K182-V185 PolarHBondContact O-N 2.82Å; K182-A186 VanDerWaalsContact O-CB 3.24Å; K182-A186 WeakPolarHBondContact O-CB 3.4Å; K182-A186 PolarHBondContact O-N 2.96Å; K182-P192 HydrophobicContact CG-CG 4.42Å |
| 183 | G | 82.7 | Confident | 81.4 | Confident | 44 Ų | 44 | 79.5 Ų | 79.5 | 45% | 0.454 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.9 | -36.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K179 P180 | K179-G183 PolarHBondContact O-N 3.37Å; P180-G183 PolarHBondContact O-N 2.81Å |
| 184 | H | 81.8 | Confident | 81.4 | Confident | 47 Ų | 47 | 77.2 Ų | 77.2 | 22% | 0.218 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.2 | -47.4 | 177.1 | -168.6 | 65.7 | 0 | 0 | 0 | 112.6 | Q153 Q166 P180 A181 K182 K187 | Q153-H184 PolarHBondContact OE1-CE1 3.43Å; Q153-H184 VanDerWaalsContact OE1-CE1 3.24Å; Q166-H184 PolarHBondContact OE1-NE2 3.06Å; P180-H184 WeakPolarHBondContact O-CB 3.42Å; P180-H184 PolarHBondContact O-N 3.01Å; A181-H184 PolarHBondContact O-N 3.45Å; K182-H184 VanDerWaalsContact C-N 3.28Å; K182-H184 PolarHBondContact O-N 3.17Å; H184-K187 PolarHBondContact O-N 3.36Å |
| 185 | V | 83.6 | Confident | 81.6 | Confident | 3 Ų | 3 | 74.7 Ų | 74.7 | 2% | 0.018 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -76.1 | -27 | -178.9 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | L152 A181 K182 K187 A188 N189 T190 A191 | L152-V185 HydrophobicContact CD1-CG2 4.39Å; L152-V185 HydrophobicContact CD2-CB 4.47Å; L152-V185 HydrophobicContact CD2-CG1 3.95Å; L152-V185 HydrophobicContact CD2-CG2 4.23Å; A181-V185 VanDerWaalsContact O-CG2 3.25Å; A181-V185 WeakPolarHBondContact O-CG2 3.31Å; A181-V185 PolarHBondContact O-N 2.63Å; K182-V185 PolarHBondContact O-N 2.82Å; V185-K187 PolarHBondContact O-N 3.12Å; V185-A188 CarbonylContact O-C 3.55Å; V185-A188 PolarHBondContact O-N 2.83Å; V185-N189 PolarHBondContact O-N 3.34Å; V185-T190 WeakPolarHBondContact CG1-O 3.48Å; V185-T190 WeakPolarHBondContact CG1-OG1 3.19Å; V185-T190 PolarHBondContact O-N 3.29Å; V185-A191 WeakPolarHBondContact CG1-O 3.3Å |
| 186 | A | 81 | Confident | 81.6 | Confident | 57 Ų | 57 | 72.2 Ų | 72.2 | 47% | 0.471 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.2 | -31.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | K182 A188 N189 | K182-A186 VanDerWaalsContact O-CB 3.24Å; K182-A186 WeakPolarHBondContact O-CB 3.4Å; K182-A186 PolarHBondContact O-N 2.96Å; A186-A188 PolarHBondContact O-N 3.09Å; A186-N189 PolarHBondContact O-N 2.82Å; A186-N189 PolarHBondContact O-OD1 2.9Å |
| 187 | K | 79.6 | Confident | 81.5 | Confident | 166 Ų | 166 | 70.6 Ų | 70.6 | 72% | 0.722 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29.7 | 173.4 | -68.5 | -176.7 | 176.5 | -176.7 | 0 | 112.9 | H184 V185 | H184-K187 PolarHBondContact O-N 3.36Å; V185-K187 PolarHBondContact O-N 3.12Å |
| 188 | A | 77.3 | Confident | 81.6 | Confident | 5 Ų | 5 | 73.6 Ų | 73.6 | 4% | 0.041 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 7.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L152 V185 A186 T190 V209 | L152-A188 HydrophobicContact CD2-CB 4.15Å; V185-A188 CarbonylContact O-C 3.55Å; V185-A188 PolarHBondContact O-N 2.83Å; A186-A188 PolarHBondContact O-N 3.09Å; A188-T190 WeakPolarHBondContact O-CG2 3.38Å; A188-T190 PolarHBondContact O-N 3.47Å; A188-V209 HydrophobicContact CB-CG1 3.66Å |
| 189 | N | 75.3 | Confident | 81.3 | Confident | 155 Ų | 155 | 70.6 Ų | 70.6 | 83% | 0.829 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 34 | -178 | -68.1 | -41.9 | 0 | 0 | 0 | 114.9 | V185 A186 | V185-N189 PolarHBondContact O-N 3.34Å; A186-N189 PolarHBondContact O-N 2.82Å; A186-N189 PolarHBondContact O-OD1 2.9Å |
| 190 | T | 75 | Confident | 80.6 | Confident | 35 Ų | 35 | 66.8 Ų | 66.8 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | trans | -120.1 | 164.2 | -175.3 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | I150 V185 A188 | I150-T190 HydrophobicContact CD1-CG2 3.87Å; I150-T190 HydrophobicContact CG1-CG2 4.46Å; I150-T190 HydrophobicContact CG2-CG2 3.65Å; V185-T190 WeakPolarHBondContact CG1-O 3.48Å; V185-T190 WeakPolarHBondContact CG1-OG1 3.19Å; V185-T190 PolarHBondContact O-N 3.29Å; A188-T190 WeakPolarHBondContact O-CG2 3.38Å; A188-T190 PolarHBondContact O-N 3.47Å | ||
| 191 | A | 79.4 | Confident | 79.4 | Confident | 45 Ų | 45 | 69.5 Ų | 69.5 | 37% | 0.372 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 145.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V185 K193 | V185-A191 WeakPolarHBondContact CG1-O 3.3Å; A191-K193 WeakPolarHBondContact O-CD 3.41Å; A191-K193 WeakPolarHBondContact O-CE 3.15Å; A191-K193 PolarHBondContact O-N 2.91Å |
| 192 | P | 79.9 | Confident | 78.4 | Confident | 9 Ų | 9 | 70 Ų | 70 | 6% | 0.058 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -51.5 | 128.2 | 178.9 | -27.4 | 35.4 | 0 | 0 | 0 | 111.7 | M172 E174 K182 | M172-P192 WeakPolarHBondContact CA-O 3.26Å; M172-P192 WeakPolarHBondContact CB-O 3.41Å; M172-P192 PolarHBondContact N-O 3.44Å; E174-P192 HydrophobicContact CG-CG 4.23Å; K182-P192 HydrophobicContact CG-CG 4.42Å |
| 193 | K | 81.4 | Confident | 77.3 | Confident | 26 Ų | 26 | 73.9 Ų | 73.9 | 11% | 0.113 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 143.1 | -177.7 | -56 | -63.4 | -178.4 | 179.7 | 0 | 111.6 | L152 Q170 D171 A191 | L152-K193 HydrophobicContact CD2-CG 4.49Å; Q170-K193 CarbonylContact O-C 3.56Å; Q170-K193 VanDerWaalsContact O-CA 3.26Å; Q170-K193 WeakPolarHBondContact O-CA 3.47Å; D171-K193 WeakPolarHBondContact OD1-CD 3.37Å; D171-K193 WeakPolarHBondContact OD1-CE 3.11Å; D171-K193 IonicContact OD1-NZ 2.63Å; D171-K193 PolarHBondContact OD1-NZ 3.13Å; A191-K193 WeakPolarHBondContact O-CD 3.41Å; A191-K193 WeakPolarHBondContact O-CE 3.15Å; A191-K193 PolarHBondContact O-N 2.91Å |
| 194 | R | 81.8 | Confident | 76 | Confident | 143 Ų | 143 | 73.9 Ų | 73.9 | 54% | 0.54 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | -34.8 | -178.6 | -177 | 171.7 | -172.9 | 167.7 | 5.4 | 112.9 | Y169 Q170 M172 | Y169-R194 PolarHBondContact O-N 2.76Å; Q170-R194 HydrophobicContact CB-CB 4.31Å; Q170-R194 HydrophobicContact CG-CB 4.35Å; Q170-R194 PolarHBondContact O-N 3Å; M172-R194 HydrophobicContact CB-CB 4.37Å; M172-R194 HydrophobicContact CE-CB 3.91Å; M172-R194 HydrophobicContact CE-CG 3.72Å |
| 195 | F | 82.3 | Confident | 74.8 | Confident | 68 Ų | 68 | 75.4 Ų | 75.4 | 30% | 0.298 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 124.5 | -178.7 | -59.8 | -74.7 | 0 | 0 | 0 | 109.4 | G168 Y169 Q170 L315 | G168-F195 WeakPolarHBondContact CA-O 3.47Å; Y169-F195 HydrophobicContact CD1-CB 4.47Å; Y169-F195 AromaticContact CD1-CD2 3.87Å; Y169-F195 HydrophobicContact CD1-CD2 3.87Å; Y169-F195 HydrophobicContact CE1-CD2 4.46Å; Y169-F195 PolarHBondContact N-O 3.46Å; Y169-F195 PolarHBondContact O-N 3.24Å; Q170-F195 HydrophobicContact CB-CD2 4.42Å; F195-L315 HydrophobicContact CB-CD1 4.24Å; F195-L315 HydrophobicContact CB-CD2 4.41Å; F195-L315 HydrophobicContact CD1-CD2 4.2Å; F195-L315 HydrophobicContact CD2-CD1 3.95Å; F195-L315 HydrophobicContact CE2-CD1 4.4Å; F195-L315 HydrophobicContact CG-CD1 3.99Å; F195-L315 HydrophobicContact CG-CD2 4.3Å |
| 196 | I | 83.7 | Confident | 73.8 | Confident | 65 Ų | 65 | 79.9 Ų | 79.9 | 33% | 0.333 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.2 | 176.4 | -58.3 | 175.6 | 0 | 0 | 0 | 107.2 | L152 Q166 L167 | L152-I196 HydrophobicContact CD1-CD1 3.92Å; L152-I196 HydrophobicContact CD1-CG1 3.86Å; L152-I196 HydrophobicContact CD1-CG2 4.13Å; Q166-I196 HydrophobicContact CG-CG2 3.34Å; Q166-I196 VanDerWaalsContact NE2-CG2 3.33Å; L167-I196 WeakPolarHBondContact O-CA 3.48Å |
| 197 | R | 82.9 | Confident | 73.1 | Confident | 97 Ų | 97 | 79.8 Ų | 79.8 | 37% | 0.366 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 141.7 | -179.8 | -70.3 | -63.3 | -172.7 | 179.7 | -2.2 | 110.4 | L167 F199 | L167-R197 PolarHBondContact N-O 2.89Å; L167-R197 PolarHBondContact O-N 3.5Å; R197-F199 HydrophobicContact CB-CE2 4.14Å |
| 198 | E | 82.6 | Confident | 72.8 | Confident | 80 Ų | 80 | 79.2 Ų | 79.2 | 37% | 0.374 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 135.3 | 175.9 | -64.3 | 177.3 | 174.4 | 0 | 0 | 109.8 | K155 V165 Q166 | K155-E198 IonicContact NZ-OE1 2.72Å; K155-E198 PolarHBondContact NZ-OE1 2.88Å; K155-E198 IonicContact NZ-OE2 3.92Å; V165-E198 WeakPolarHBondContact O-CA 3.49Å; Q166-E198 HydrophobicContact CB-CG 4.35Å; Q166-E198 HydrophobicContact CG-CG 4.11Å |
| 199 | F | 79 | Confident | 72.9 | Confident | 37 Ų | 37 | 82.4 Ų | 82.4 | 16% | 0.162 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.6 | 172 | -67.1 | -99.1 | 0 | 0 | 0 | 107.8 | A164 V165 L167 R197 V202 T317 K319 | A164-F199 CarbonylContact C-O 3.57Å; A164-F199 WeakPolarHBondContact CA-O 3.48Å; A164-F199 WeakPolarHBondContact CB-O 3.49Å; V165-F199 PolarHBondContact N-O 2.83Å; V165-F199 PolarHBondContact O-N 3.09Å; L167-F199 HydrophobicContact CB-CD2 4.45Å; L167-F199 HydrophobicContact CB-CE2 4.21Å; L167-F199 HydrophobicContact CD1-CD2 3.79Å; L167-F199 HydrophobicContact CD1-CE2 3.63Å; L167-F199 HydrophobicContact CD1-CZ 4.41Å; L167-F199 HydrophobicContact CG-CD2 4.18Å; L167-F199 HydrophobicContact CG-CE2 4.24Å; R197-F199 HydrophobicContact CB-CE2 4.14Å; F199-V202 HydrophobicContact CB-CG2 4.05Å; F199-T317 HydrophobicContact CE1-CG2 3.41Å; F199-T317 VanDerWaalsContact CE1-CG2 3.41Å; F199-T317 HydrophobicContact CZ-CG2 3.51Å; F199-K319 HydrophobicContact CD1-CG 4.2Å; F199-K319 HydrophobicContact CE1-CG 4.02Å |
| 200 | K | 71 | Confident | 73 | Confident | 113 Ų | 113 | 76.6 Ų | 76.6 | 49% | 0.491 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 160.2 | 171.8 | -58.3 | -173.9 | 175.3 | -164.5 | 0 | 109.1 | A164 | A164-K200 HydrophobicContact CB-CG 4.25Å |
| 201 | D | 62.4 | Low | 73 | Confident | 154 Ų | 154 | 79.7 Ų | 79.7 | 82% | 0.824 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 66.1 | 43.8 | 174.7 | -40.1 | -49.9 | 0 | 0 | 0 | 113.1 | ||
| 202 | V | 60.8 | Low | 72.9 | Confident | 42 Ų | 42 | 82.6 Ų | 82.6 | 26% | 0.255 | 42% | 0.417 | S | S | . | . | trans | -115.2 | 136.2 | 175.3 | -177 | 0 | 0 | 0 | 0 | 108.3 | V165 F199 L204 Y207 | V165-V202 HydrophobicContact CG2-CB 4.26Å; V165-V202 HydrophobicContact CG2-CG1 4.3Å; F199-V202 HydrophobicContact CB-CG2 4.05Å; V202-L204 PolarHBondContact O-N 3Å; V202-L204 VanDerWaalsContact O-N 3.09Å; V202-Y207 HydrophobicContact CG1-CD2 3.85Å; V202-Y207 HydrophobicContact CG1-CE2 3.42Å; V202-Y207 VanDerWaalsContact CG1-CE2 3.42Å | ||
| 203 | E | 59.2 | Low | 72.8 | Confident | 160 Ų | 160 | 83.3 Ų | 83.3 | 75% | 0.748 | 42% | 0.422 | S | S | * | . | trans | -60.8 | 111.7 | 172.7 | -66.9 | -178.9 | -175.9 | 0 | 0 | 109.5 | G205 | E203-G205 PolarHBondContact O-N 3.4Š| ||
| 204 | L | 55.9 | Low | 72.7 | Confident | 44 Ų | 44 | 87 Ų | 87 | 23% | 0.23 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -65.1 | -24 | -172 | -66.7 | 162.3 | 0 | 0 | 0 | 112.8 | V154 E163 V165 V202 D206 Y207 | V154-L204 HydrophobicContact CG1-CD2 3.47Å; V154-L204 VanDerWaalsContact CG1-CD2 3.47Å; E163-L204 HydrophobicContact CB-CD1 4.07Å; E163-L204 HydrophobicContact CG-CD1 3.84Å; V165-L204 HydrophobicContact CG2-CD2 4.46Å; V202-L204 PolarHBondContact O-N 3Å; V202-L204 VanDerWaalsContact O-N 3.09Å; L204-D206 PolarHBondContact O-N 3.49Å; L204-D206 VanDerWaalsContact O-N 3.15Å; L204-Y207 PolarHBondContact O-N 3.09Å |
| 205 | G | 56.8 | Low | 72.3 | Confident | 79 Ų | 79 | 80.2 Ų | 80.2 | 81% | 0.814 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -60.4 | -25.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E203 | E203-G205 PolarHBondContact O-N 3.4Š|
| 206 | D | 62.4 | Low | 71.9 | Confident | 98 Ų | 98 | 81.8 Ų | 81.8 | 52% | 0.524 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -90.6 | -7.9 | -174.9 | -71.1 | -26.4 | 0 | 0 | 0 | 114.4 | L204 K211 | L204-D206 PolarHBondContact O-N 3.49Å; L204-D206 VanDerWaalsContact O-N 3.15Å; D206-K211 PolarHBondContact O-NZ 3.07Å |
| 207 | Y | 67.5 | Low | 71.3 | Confident | 54 Ų | 54 | 82.8 Ų | 82.8 | 21% | 0.212 | 43% | 0.433 | C | S | . | . | trans | -124.2 | 109.3 | -167.8 | -61 | -79 | 0 | 0 | 0 | 112.4 | V151 V154 V165 V202 L204 V213 | V151-Y207 HydrophobicContact CG2-CD1 4.18Å; V154-Y207 VanDerWaalsContact CG2-O 3.31Å; V154-Y207 WeakPolarHBondContact CG2-O 3.45Å; V165-Y207 HydrophobicContact CG2-CD2 4.31Å; V165-Y207 HydrophobicContact CG2-CG 4.44Å; V202-Y207 HydrophobicContact CG1-CD2 3.85Å; V202-Y207 HydrophobicContact CG1-CE2 3.42Å; V202-Y207 VanDerWaalsContact CG1-CE2 3.42Å; L204-Y207 PolarHBondContact O-N 3.09Å; Y207-V213 HydrophobicContact CD1-CG2 4.15Å; Y207-V213 HydrophobicContact CE1-CG2 3.87Å | ||
| 208 | E | 73.3 | Confident | 71 | Confident | 155 Ų | 155 | 80.3 Ų | 80.3 | 72% | 0.724 | 43% | 0.425 | S | S | * | . | trans | -94.6 | 151.1 | 169.8 | -65.2 | -177.2 | 166.7 | 0 | 0 | 111.2 | V151 G210 K211 | V151-E208 WeakPolarHBondContact CB-O 3.36Å; E208-G210 PolarHBondContact O-N 2.77Å; E208-K211 VanDerWaalsContact O-CB 3.24Å; E208-K211 WeakPolarHBondContact O-CB 3.49Å; E208-K211 PolarHBondContact O-N 3.27Å; E208-K211 VanDerWaalsContact O-N 3.09Å | ||
| 209 | V | 78.1 | Confident | 70.8 | Confident | 71 Ų | 71 | 83.2 Ų | 83.2 | 43% | 0.43 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 127.9 | 175 | 178.3 | 0 | 0 | 0 | 0 | 109.4 | L152 V154 A188 | L152-V209 WeakPolarHBondContact O-CG1 3.49Å; V154-V209 HydrophobicContact CG2-CG2 4.02Å; A188-V209 HydrophobicContact CB-CG1 3.66Å |
| 210 | G | 77 | Confident | 70.9 | Confident | 33 Ų | 33 | 84.7 Ų | 84.7 | 34% | 0.34 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | -10.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V151 E208 | V151-G210 PolarHBondContact O-N 2.71Å; E208-G210 PolarHBondContact O-N 2.77Å |
| 211 | K | 75.1 | Confident | 71.5 | Confident | 101 Ų | 101 | 81.4 Ų | 81.4 | 44% | 0.439 | 46% | 0.456 | S | S | . | . | trans | -66.7 | 139.9 | 176.2 | -171.6 | 173.3 | 177.1 | 178.1 | 0 | 111.4 | V151 D206 E208 | V151-K211 HydrophobicContact CG2-CB 4.46Å; V151-K211 PolarHBondContact N-O 2.73Å; D206-K211 PolarHBondContact O-NZ 3.07Å; E208-K211 VanDerWaalsContact O-CB 3.24Å; E208-K211 WeakPolarHBondContact O-CB 3.49Å; E208-K211 PolarHBondContact O-N 3.27Å; E208-K211 VanDerWaalsContact O-N 3.09Å | ||
| 212 | E | 78.1 | Confident | 72.4 | Confident | 105 Ų | 105 | 76.7 Ų | 76.7 | 49% | 0.491 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 129.3 | 172.1 | -65.5 | -173.9 | 166.9 | 0 | 0 | 111 | N149 I150 | N149-E212 CarbonylContact O-C 3.6Å; N149-E212 WeakPolarHBondContact O-CA 3.43Å; I150-E212 HydrophobicContact CG1-CG 3.98Å |
| 213 | V | 77.5 | Confident | 73.7 | Confident | 24 Ų | 24 | 78.1 Ų | 78.1 | 15% | 0.145 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 109 | 170.5 | -176 | 0 | 0 | 0 | 0 | 107.9 | N149 V151 L167 Y207 | N149-V213 HydrophobicContact CB-CB 4.39Å; N149-V213 PolarHBondContact N-O 3.29Å; N149-V213 PolarHBondContact O-N 3.15Å; V151-V213 HydrophobicContact CG2-CG2 4.16Å; L167-V213 HydrophobicContact CD2-CG2 3.9Å; Y207-V213 HydrophobicContact CD1-CG2 4.15Å; Y207-V213 HydrophobicContact CE1-CG2 3.87Å |
| 214 | K | 78.4 | Confident | 74.9 | Confident | 103 Ų | 103 | 70.6 Ų | 70.6 | 45% | 0.448 | 40% | 0.401 | S | S | . | . | trans | -93.6 | 175 | -179.7 | -65.9 | -174.8 | 179.2 | -179.8 | 0 | 111.7 | P148 D216 T217 | P148-K214 HydrophobicContact CB-CG 4.46Å; P148-K214 HydrophobicContact CG-CG 4.39Å; K214-D216 PolarHBondContact O-N 3.39Å; K214-T217 PolarHBondContact O-OG1 3.23Å | ||
| 215 | V | 74.5 | Confident | 76.3 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.012 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -68.9 | -20.9 | 178.5 | -167.2 | 0 | 0 | 0 | 0 | 112.4 | A146 T217 F218 V295 N300 I302 | A146-V215 HydrophobicContact CB-CG2 3.77Å; A146-V215 WeakPolarHBondContact O-CG2 3.4Å; V215-T217 PolarHBondContact O-N 2.8Å; V215-F218 PolarHBondContact O-N 2.81Å; V215-V295 HydrophobicContact CB-CG1 4.42Å; V215-V295 HydrophobicContact CG1-CG1 3.51Å; V215-N300 HydrophobicContact CG2-CB 3.86Å; V215-I302 HydrophobicContact CG1-CD1 3.81Å; V215-I302 HydrophobicContact CG1-CG1 3.32Å |
| 216 | D | 73.6 | Confident | 77.8 | Confident | 101 Ų | 101 | 65 Ų | 65 | 54% | 0.54 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -60.1 | -12.9 | -178.8 | -52.9 | -42.9 | 0 | 0 | 0 | 114.5 | K214 F218 A297 | K214-D216 PolarHBondContact O-N 3.39Å; D216-F218 PolarHBondContact O-N 3.23Å; D216-A297 WeakPolarHBondContact OD1-CB 3.49Å |
| 217 | T | 72.2 | Confident | 79 | Confident | 85 Ų | 85 | 60.9 Ų | 60.9 | 52% | 0.521 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -67.4 | -19.2 | 173.2 | -48.3 | 0 | 0 | 0 | 0 | 112.8 | K214 V215 | K214-T217 PolarHBondContact O-OG1 3.23Å; V215-T217 PolarHBondContact O-N 2.8Å |
| 218 | F | 75.5 | Confident | 80 | Confident | 45 Ų | 45 | 58.5 Ų | 58.5 | 20% | 0.197 | 32% | 0.323 | C | S | . | . | trans | -104.8 | 141.2 | 179.5 | -61.9 | -74.2 | 0 | 0 | 0 | 111.5 | V215 D216 I224 I292 V295 I302 I318 | V215-F218 PolarHBondContact O-N 2.81Å; D216-F218 PolarHBondContact O-N 3.23Å; F218-I224 HydrophobicContact CD1-CG2 4.2Å; F218-I224 HydrophobicContact CE1-CG2 4.1Å; F218-I292 HydrophobicContact CB-CD1 3.7Å; F218-I292 HydrophobicContact CD1-CD1 3.77Å; F218-I292 HydrophobicContact CG-CD1 3.89Å; F218-V295 HydrophobicContact CB-CG2 4.19Å; F218-I302 HydrophobicContact CD2-CD1 3.75Å; F218-I302 HydrophobicContact CE2-CD1 4.1Å; F218-I302 HydrophobicContact CG-CD1 4.44Å; F218-I318 HydrophobicContact CE1-CG2 3.75Å; F218-I318 HydrophobicContact CE2-CG2 4.42Å; F218-I318 HydrophobicContact CZ-CB 4.25Å; F218-I318 HydrophobicContact CZ-CG2 3.6Å | ||
| 219 | Q | 79.4 | Confident | 80.7 | Confident | 141 Ų | 141 | 54.5 Ų | 54.5 | 66% | 0.659 | 31% | 0.309 | S | S | * | . | trans | -109.8 | 158.4 | 172.9 | -62.4 | -173.5 | 2.4 | 0 | 0 | 111.2 | D222 | Q219-D222 PolarHBondContact N-OD2 3.43Å; Q219-D222 WeakPolarHBondContact O-CB 3.11Å; Q219-D222 PolarHBondContact O-N 2.92Å | ||
| 220 | A | 80.7 | Confident | 81.3 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 57% | 0.57 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 133.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 221 | G | 83.5 | Confident | 81.8 | Confident | 43 Ų | 43 | 57.4 Ų | 57.4 | 44% | 0.443 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.1 | -11.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I292 | G221-I292 PolarHBondContact N-O 2.8Š|
| 222 | D | 80.9 | Confident | 82.6 | Confident | 56 Ų | 56 | 55.6 Ų | 55.6 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | trans | -64.1 | 140.7 | 179.8 | -75 | -13.2 | 0 | 0 | 0 | 112.2 | Q219 I292 | Q219-D222 PolarHBondContact N-OD2 3.43Å; Q219-D222 WeakPolarHBondContact O-CB 3.11Å; Q219-D222 PolarHBondContact O-N 2.92Å; D222-I292 HydrophobicContact CB-CD1 4.14Å; D222-I292 HydrophobicContact CB-CG1 4.48Å; D222-I292 PolarHBondContact O-N 3.47Å | ||
| 223 | I | 87.4 | Confident | 83.1 | Confident | 71 Ų | 71 | 55.4 Ų | 55.4 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 121.5 | 175.4 | -52.8 | 178.8 | 0 | 0 | 0 | 108.9 | N289 L290 A321 | I223-N289 HydrophobicContact CG2-CB 4.02Å; I223-L290 WeakPolarHBondContact CA-O 3.32Å; I223-A321 HydrophobicContact CB-CB 4.15Å; I223-A321 HydrophobicContact CG2-CB 3.67Å; I223-A321 WeakPolarHBondContact O-CB 3.49Å; I223-A321 PolarHBondContact O-N 3.45Å; I223-A321 VanDerWaalsContact O-N 3.13Å |
| 224 | I | 84.9 | Confident | 83.8 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 151.2 | -174.6 | 58.2 | 164.7 | 0 | 0 | 0 | 113.2 | F218 V226 N289 L290 I292 V304 I318 K319 | F218-I224 HydrophobicContact CD1-CG2 4.2Å; F218-I224 HydrophobicContact CE1-CG2 4.1Å; I224-V226 HydrophobicContact CD1-CG2 3.67Å; I224-V226 HydrophobicContact CG1-CG2 4.05Å; I224-N289 PolarHBondContact O-N 2.95Å; I224-L290 HydrophobicContact CG1-CB 4.25Å; I224-L290 VanDerWaalsContact CG1-O 3.23Å; I224-L290 WeakPolarHBondContact CG1-O 3.32Å; I224-L290 PolarHBondContact N-O 3.24Å; I224-L290 PolarHBondContact O-N 3.25Å; I224-I292 HydrophobicContact CD1-CD1 3.99Å; I224-I292 HydrophobicContact CD1-CG1 3.7Å; I224-I292 HydrophobicContact CG1-CD1 4.42Å; I224-I292 HydrophobicContact CG1-CG1 4Å; I224-I292 HydrophobicContact CG2-CD1 3.82Å; I224-I292 HydrophobicContact CG2-CG1 4.19Å; I224-V304 HydrophobicContact CD1-CG1 4.2Å; I224-V304 HydrophobicContact CD1-CG2 3.78Å; I224-I318 HydrophobicContact CB-CG2 3.98Å; I224-I318 HydrophobicContact CD1-CG2 3.7Å; I224-I318 HydrophobicContact CG1-CG2 4.43Å; I224-I318 HydrophobicContact CG2-CG2 4.02Å; I224-K319 CarbonylContact C-O 3.51Å; I224-K319 WeakPolarHBondContact CA-O 3.34Å; I224-K319 WeakPolarHBondContact CB-O 3.39Å |
| 225 | D | 85.6 | Confident | 84.6 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 3% | 0.032 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.3 | 169.4 | -82.7 | 9.5 | 0 | 0 | 0 | 109.6 | T286 Q288 N289 K319 | D225-T286 HydrophobicContact CB-CG2 4.03Å; D225-Q288 WeakPolarHBondContact OD1-CA 2.94Å; D225-Q288 VanDerWaalsContact OD1-CB 3.31Å; D225-Q288 WeakPolarHBondContact OD1-CB 3.42Å; D225-Q288 PolarHBondContact OD2-NE2 3.41Å; D225-N289 PolarHBondContact OD1-N 2.7Å; D225-N289 VanDerWaalsContact OD1-N 3.08Å; D225-K319 PolarHBondContact N-O 2.96Å; D225-K319 PolarHBondContact O-N 3.46Å |
| 226 | V | 88.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 115.6 | -174.1 | -174.1 | 0 | 0 | 0 | 0 | 110.6 | I224 T286 I287 L290 V308 I316 | I224-V226 HydrophobicContact CD1-CG2 3.67Å; I224-V226 HydrophobicContact CG1-CG2 4.05Å; V226-T286 CarbonylContact O-C 3.58Å; V226-T286 WeakPolarHBondContact O-CA 3.14Å; V226-I287 PolarHBondContact N-O 2.73Å; V226-I287 PolarHBondContact O-N 3.5Å; V226-L290 HydrophobicContact CB-CD1 3.78Å; V226-L290 HydrophobicContact CG2-CB 4.42Å; V226-L290 HydrophobicContact CG2-CD1 3.6Å; V226-V308 HydrophobicContact CG1-CG1 3.74Å; V226-V308 HydrophobicContact CG1-CG2 4.32Å; V226-I316 HydrophobicContact CG1-CG2 3.13Å |
| 227 | T | 86.7 | Confident | 86.3 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131.6 | -177.5 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | R284 V285 T286 I316 T317 | T227-R284 HydrophobicContact CG2-CG 3.61Å; T227-R284 VanDerWaalsContact CG2-NE 3.32Å; T227-V285 WeakPolarHBondContact CA-O 3.24Å; T227-T286 WeakPolarHBondContact CG2-OG1 3.19Å; T227-T286 WeakPolarHBondContact OG1-CB 3.46Å; T227-T286 VanDerWaalsContact OG1-CG2 3.31Å; T227-T286 WeakPolarHBondContact OG1-CG2 3.41Å; T227-T286 PolarHBondContact OG1-OG1 3.16Å; T227-I316 CarbonylContact O-C 3.59Å; T227-I316 WeakPolarHBondContact O-CA 3.47Å; T227-T317 PolarHBondContact N-O 3.39Å; T227-T317 PolarHBondContact O-N 3.26Å |
| 228 | G | 88.8 | Confident | 87.2 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 5% | 0.052 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 168.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R284 V285 | G228-R284 WeakPolarHBondContact O-CA 3.37Å; G228-V285 PolarHBondContact N-O 3.24Å; G228-V285 PolarHBondContact O-N 3.24Å |
| 229 | T | 88.8 | Confident | 88 | Confident | 71 Ų | 71 | 52.2 Ų | 52.2 | 44% | 0.436 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 117.8 | 174.1 | -60 | 0 | 0 | 0 | 0 | 109.7 | G310 | T229-G310 WeakPolarHBondContact O-CA 3.27Å |
| 230 | T | 89.6 | Confident | 88.6 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 22% | 0.221 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 152 | 177.9 | 54.1 | 0 | 0 | 0 | 0 | 112.5 | G232 G282 N283 V285 | T230-G232 PolarHBondContact O-N 2.84Å; T230-G282 VanDerWaalsContact O-CA 3.31Å; T230-G282 WeakPolarHBondContact O-CA 3.48Å; T230-G282 PolarHBondContact O-N 3.4Å; T230-G282 VanDerWaalsContact O-N 3.1Å; T230-G282 PolarHBondContact OG1-N 3.2Å; T230-N283 PolarHBondContact N-O 3.38Å; T230-N283 PolarHBondContact OG1-N 2.99Å; T230-N283 PolarHBondContact OG1-O 3.28Å; T230-V285 HydrophobicContact CG2-CB 3.77Å; T230-V285 HydrophobicContact CG2-CG2 3.44Å; T230-V285 VanDerWaalsContact CG2-CG2 3.44Å |
| 231 | K | 89.3 | Confident | 89.1 | Confident | 129 Ų | 129 | 51.7 Ų | 51.7 | 56% | 0.561 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 126.1 | 175.1 | -68.7 | -177.2 | 178.1 | 177.2 | 0 | 110.5 | K233 G281 A311 | K231-K233 PolarHBondContact O-N 2.88Å; K231-G281 WeakPolarHBondContact O-CA 3.25Å; K231-A311 HydrophobicContact CG-CB 3.97Å |
| 232 | G | 90.7 | Very high | 89.5 | Confident | 62 Ų | 62 | 52.6 Ų | 52.6 | 64% | 0.639 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 128.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110 | T230 | T230-G232 PolarHBondContact O-N 2.84Š|
| 233 | K | 89.5 | Confident | 89.8 | Confident | 102 Ų | 102 | 53.1 Ų | 53.1 | 44% | 0.443 | 30% | 0.302 | S | S | . | . | trans | -109.1 | 4.5 | 176.3 | -64.3 | 179.6 | -179.9 | 177.8 | 0 | 112.2 | K231 Q236 M280 | K231-K233 PolarHBondContact O-N 2.88Å; K233-Q236 HydrophobicContact CB-CG 4.06Å; K233-Q236 PolarHBondContact O-NE2 3.15Å; K233-M280 HydrophobicContact CB-CB 4.28Å; K233-M280 HydrophobicContact CB-CG 4.48Å; K233-M280 HydrophobicContact CD-CE 4.25Å; K233-M280 HydrophobicContact CD-CG 4.27Å; K233-M280 HydrophobicContact CD-SD 3.73Å; K233-M280 PolarHBondContact N-O 2.86Å | ||
| 234 | G | 92.4 | Very high | 89.9 | Confident | 40 Ų | 40 | 52.4 Ų | 52.4 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | trans | 68.3 | -156.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q236 R279 M280 | G234-Q236 PolarHBondContact O-N 2.72Å; G234-R279 WeakPolarHBondContact O-CA 3.4Å; G234-M280 PolarHBondContact O-N 2.8Å | ||
| 235 | F | 94.1 | Very high | 90 | Very high | 159 Ų | 159 | 57.8 Ų | 57.8 | 70% | 0.697 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 120.9 | 173.6 | -171.2 | -90.5 | 0 | 0 | 0 | 109.9 | A277 | F235-A277 HydrophobicContact CE1-CB 3.85Å; F235-A277 HydrophobicContact CZ-CB 3.7Å |
| 236 | Q | 93.3 | Very high | 90.1 | Very high | 32 Ų | 32 | 64.1 Ų | 64.1 | 15% | 0.15 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.3 | -178.5 | -68 | -61.2 | -11.3 | 0 | 0 | 111.5 | K233 G234 K240 R241 A277 G278 M280 | K233-Q236 HydrophobicContact CB-CG 4.06Å; K233-Q236 PolarHBondContact O-NE2 3.15Å; G234-Q236 PolarHBondContact O-N 2.72Å; Q236-K240 HydrophobicContact CG-CD 4.47Å; Q236-R241 HydrophobicContact CB-CB 4.26Å; Q236-A277 VanDerWaalsContact O-CA 3.3Å; Q236-A277 WeakPolarHBondContact O-CA 3.4Å; Q236-A277 WeakPolarHBondContact O-CB 3.4Å; Q236-G278 PolarHBondContact N-O 2.88Å; Q236-G278 PolarHBondContact O-N 3.01Å; Q236-M280 HydrophobicContact CB-CB 3.98Å; Q236-M280 HydrophobicContact CB-SD 4.28Å; Q236-M280 HydrophobicContact CG-CB 3.78Å; Q236-M280 HydrophobicContact CG-SD 4.05Å |
| 237 | G | 91.6 | Very high | 90 | Very high | 26 Ų | 26 | 65 Ų | 65 | 27% | 0.268 | 37% | 0.368 | S | S | . | . | trans | -64.8 | 161.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I239 K240 R241 | G237-I239 PolarHBondContact O-N 3.5Å; G237-I239 VanDerWaalsContact O-N 3.13Å; G237-K240 PolarHBondContact O-N 2.86Å; G237-K240 VanDerWaalsContact O-N 3.17Å; G237-R241 WeakPolarHBondContact O-CB 3.35Å; G237-R241 PolarHBondContact O-N 2.75Å | ||
| 238 | V | 91 | Very high | 90.1 | Very high | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.024 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -54.3 | -35 | -175.8 | -68 | 0 | 0 | 0 | 0 | 114 | H242 Q244 P259 A277 | V238-H242 WeakPolarHBondContact O-CA 3.26Å; V238-H242 WeakPolarHBondContact O-CB 3.22Å; V238-H242 PolarHBondContact O-N 2.99Å; V238-Q244 HydrophobicContact CB-CB 4.48Å; V238-Q244 HydrophobicContact CB-CG 4.43Å; V238-Q244 HydrophobicContact CG2-CB 4.41Å; V238-P259 HydrophobicContact CG1-CB 4.33Å; V238-A277 HydrophobicContact CG1-CB 4.36Å; V238-A277 VanDerWaalsContact CG1-N 3.32Å |
| 239 | I | 92.1 | Very high | 90.1 | Very high | 32 Ų | 32 | 75 Ų | 75 | 16% | 0.164 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.4 | -55 | 178.9 | -62 | 172.4 | 0 | 0 | 0 | 110.4 | G237 G243 Q244 R246 R257 | G237-I239 PolarHBondContact O-N 3.5Å; G237-I239 VanDerWaalsContact O-N 3.13Å; I239-G243 VanDerWaalsContact O-CA 3.23Å; I239-G243 WeakPolarHBondContact O-CA 3.15Å; I239-G243 PolarHBondContact O-N 3.36Å; I239-Q244 WeakPolarHBondContact CG1-O 3.41Å; I239-Q244 WeakPolarHBondContact CG2-O 3.46Å; I239-R246 HydrophobicContact CD1-CB 3.88Å; I239-R257 HydrophobicContact CD1-CB 4.01Å; I239-R257 HydrophobicContact CD1-CG 3.92Å |
| 240 | K | 90.7 | Very high | 90.1 | Very high | 107 Ų | 107 | 75 Ų | 75 | 47% | 0.465 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -73.2 | -30.2 | -176.3 | -178.5 | 163 | 167.5 | -163.9 | 0 | 112.7 | Q236 G237 M280 | Q236-K240 HydrophobicContact CG-CD 4.47Å; G237-K240 PolarHBondContact O-N 2.86Å; G237-K240 VanDerWaalsContact O-N 3.17Å; K240-M280 HydrophobicContact CG-SD 4.46Å |
| 241 | R | 92.2 | Very high | 89.8 | Confident | 91 Ų | 91 | 82.9 Ų | 82.9 | 34% | 0.343 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -81.3 | -40.7 | -178.7 | -171.5 | -178.8 | -177.3 | -156.8 | 3.9 | 113.1 | Q236 G237 L276 A277 M280 | Q236-R241 HydrophobicContact CB-CB 4.26Å; G237-R241 WeakPolarHBondContact O-CB 3.35Å; G237-R241 PolarHBondContact O-N 2.75Å; R241-L276 PolarHBondContact NH1-O 2.94Å; R241-A277 PolarHBondContact NH1-O 3.37Å; R241-M280 HydrophobicContact CG-CB 4.43Å; R241-M280 HydrophobicContact CG-CG 4.49Å |
| 242 | H | 91.3 | Very high | 89.5 | Confident | 62 Ų | 62 | 80.6 Ų | 80.6 | 29% | 0.287 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -125.7 | 4.5 | -168.4 | -63.9 | -59.1 | 0 | 0 | 0 | 114.3 | V238 Q244 K275 L276 | V238-H242 WeakPolarHBondContact O-CA 3.26Å; V238-H242 WeakPolarHBondContact O-CB 3.22Å; V238-H242 PolarHBondContact O-N 2.99Å; H242-Q244 HydrophobicContact CB-CG 4.45Å; H242-Q244 PolarHBondContact O-N 3.28Å; H242-K275 HydrophobicContact CB-CB 4.12Å; H242-K275 HydrophobicContact CB-CD 4.16Å; H242-L276 PolarHBondContact CD2-O 2.95Å; H242-L276 PolarHBondContact NE2-O 3.41Å; H242-L276 VanDerWaalsContact NE2-O 3.09Å |
| 243 | G | 88.3 | Confident | 89.1 | Confident | 68 Ų | 68 | 79.1 Ų | 79.1 | 70% | 0.701 | 46% | 0.455 | S | S | * | . | trans | 69.3 | 18.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | I239 | I239-G243 VanDerWaalsContact O-CA 3.23Å; I239-G243 WeakPolarHBondContact O-CA 3.15Å; I239-G243 PolarHBondContact O-N 3.36Å | ||
| 244 | Q | 89.6 | Confident | 88.7 | Confident | 56 Ų | 56 | 83.9 Ų | 83.9 | 26% | 0.262 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -64 | 148.7 | 176.1 | -69.2 | -178.6 | 14.3 | 0 | 0 | 110.8 | V238 I239 H242 K275 | V238-Q244 HydrophobicContact CB-CB 4.48Å; V238-Q244 HydrophobicContact CB-CG 4.43Å; V238-Q244 HydrophobicContact CG2-CB 4.41Å; I239-Q244 WeakPolarHBondContact CG1-O 3.41Å; I239-Q244 WeakPolarHBondContact CG2-O 3.46Å; H242-Q244 HydrophobicContact CB-CG 4.45Å; H242-Q244 PolarHBondContact O-N 3.28Å; Q244-K275 PolarHBondContact NE2-O 3.14Å |
| 245 | S | 86.6 | Confident | 88.2 | Confident | 114 Ų | 114 | 88.8 Ų | 88.8 | 80% | 0.797 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 158.7 | 176.2 | -164.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 246 | R | 88 | Confident | 87.7 | Confident | 139 Ų | 139 | 84.9 Ų | 84.9 | 53% | 0.525 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -91 | 152.7 | 171.5 | 66.9 | 176.8 | 78.5 | 165.4 | 6.9 | 109.9 | I239 H256 | I239-R246 HydrophobicContact CD1-CB 3.88Å; R246-H256 VanDerWaalsContact CB-O 3.24Å; R246-H256 WeakPolarHBondContact CB-O 3.33Å |
| 247 | G | 86 | Confident | 87.4 | Confident | 20 Ų | 20 | 90.1 Ų | 90.1 | 21% | 0.206 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 168.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y255 | G247-Y255 VanDerWaalsContact CA-O 3.31Å; G247-Y255 WeakPolarHBondContact CA-O 3.34Å; G247-Y255 PolarHBondContact N-O 2.92Å |
| 248 | P | 88.6 | Confident | 87.1 | Confident | 93 Ų | 93 | 96.4 Ų | 96.4 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 144.1 | 173.7 | -23.6 | 33.3 | 0 | 0 | 0 | 111.4 | S253 H256 | P248-S253 WeakPolarHBondContact O-CB 3.33Å; P248-S253 PolarHBondContact O-OG 2.87Å; P248-H256 PolarHBondContact O-CD2 2.79Å; P248-H256 VanDerWaalsContact O-CD2 3.3Å; P248-H256 PolarHBondContact O-NE2 2.85Å |
| 249 | M | 87.9 | Confident | 86.9 | Confident | 133 Ų | 133 | 99 Ų | 99 | 66% | 0.655 | 51% | 0.512 | S | S | * | . | trans | -92 | -3.7 | 177.5 | -75.1 | 177.7 | 150.8 | 0 | 0 | 113.4 | ||||
| 250 | A | 88.4 | Confident | 86.6 | Confident | 69 Ų | 69 | 99.5 Ų | 99.5 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -66.5 | 158.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G252 S253 | A250-G252 PolarHBondContact O-N 3.44Å; A250-S253 PolarHBondContact O-N 2.91Å |
| 251 | H | 83.8 | Confident | 86.3 | Confident | 203 Ų | 203 | 98.7 Ų | 98.7 | 94% | 0.94 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 138.2 | 172.9 | -69.7 | -76.3 | 0 | 0 | 0 | 110.9 | ||
| 252 | G | 84.3 | Confident | 86.1 | Confident | 80 Ų | 80 | 98.2 Ų | 98.2 | 83% | 0.825 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.9 | -24.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A250 R254 | A250-G252 PolarHBondContact O-N 3.44Å; G252-R254 PolarHBondContact O-N 2.88Å |
| 253 | S | 81.3 | Confident | 85.7 | Confident | 31 Ų | 31 | 96.5 Ų | 96.5 | 22% | 0.217 | 54% | 0.535 | C | S | . | . | trans | -78.1 | 121.4 | 174.6 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | P248 A250 H256 | P248-S253 WeakPolarHBondContact O-CB 3.33Å; P248-S253 PolarHBondContact O-OG 2.87Å; A250-S253 PolarHBondContact O-N 2.91Å; S253-H256 PolarHBondContact O-CE1 3.42Å; S253-H256 PolarHBondContact O-NE2 3.43Å | ||
| 254 | R | 80.8 | Confident | 85.4 | Confident | 203 Ų | 203 | 96.6 Ų | 96.6 | 77% | 0.766 | 52% | 0.523 | S | S | * | . | trans | -93.2 | -3.4 | 171.8 | -68.2 | -178.3 | 172.7 | 176.4 | -2 | 113.2 | G252 | G252-R254 PolarHBondContact O-N 2.88Š| ||
| 255 | Y | 82.2 | Confident | 85 | Confident | 143 Ų | 143 | 100.1 Ų | 100.1 | 56% | 0.561 | 55% | 0.548 | S | S | * | . | trans | -112.6 | 53 | -170.3 | -70.9 | -90.1 | 0 | 0 | 0 | 113 | G247 R258 | G247-Y255 VanDerWaalsContact CA-O 3.31Å; G247-Y255 WeakPolarHBondContact CA-O 3.34Å; G247-Y255 PolarHBondContact N-O 2.92Å; Y255-R258 HydrophobicContact CD1-CB 3.88Å; Y255-R258 HydrophobicContact CE1-CB 4.45Å | ||
| 256 | H | 83.9 | Confident | 84.7 | Confident | 76 Ų | 76 | 99.2 Ų | 99.2 | 35% | 0.352 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -67.2 | -46.1 | 178.4 | -60.5 | 109.2 | 0 | 0 | 0 | 113.2 | R246 P248 S253 | R246-H256 VanDerWaalsContact CB-O 3.24Å; R246-H256 WeakPolarHBondContact CB-O 3.33Å; P248-H256 PolarHBondContact O-CD2 2.79Å; P248-H256 VanDerWaalsContact O-CD2 3.3Å; P248-H256 PolarHBondContact O-NE2 2.85Å; S253-H256 PolarHBondContact O-CE1 3.42Å; S253-H256 PolarHBondContact O-NE2 3.43Å |
| 257 | R | 87 | Confident | 84.6 | Confident | 142 Ų | 142 | 94.8 Ų | 94.8 | 54% | 0.536 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -142 | 9.9 | -175.4 | -55.1 | -178.8 | 64 | 79.4 | -4.3 | 113.8 | I239 | I239-R257 HydrophobicContact CD1-CB 4.01Å; I239-R257 HydrophobicContact CD1-CG 3.92Å |
| 258 | R | 86.2 | Confident | 84.5 | Confident | 159 Ų | 159 | 100.7 Ų | 100.7 | 60% | 0.6 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -72 | 154.5 | 179 | -70.9 | -176.2 | 176.1 | -171.4 | -1.4 | 109.9 | Y255 G260 | Y255-R258 HydrophobicContact CD1-CB 3.88Å; Y255-R258 HydrophobicContact CE1-CB 4.45Å; R258-G260 PolarHBondContact O-N 3.28Å |
| 259 | P | 86.4 | Confident | 84.5 | Confident | 58 Ų | 58 | 104.3 Ų | 104.3 | 38% | 0.377 | 57% | 0.565 | S | S | . | * | trans | -56.3 | 137.4 | 165.8 | 26.1 | -33.1 | 0 | 0 | 0 | 109.2 | V238 M262 L276 | V238-P259 HydrophobicContact CG1-CB 4.33Å; P259-M262 HydrophobicContact CB-SD 4.39Å; P259-L276 HydrophobicContact CB-CD2 4Å | ||
| 260 | G | 84.9 | Confident | 84.4 | Confident | 43 Ų | 43 | 101.3 Ų | 101.3 | 44% | 0.443 | 55% | 0.554 | S | S | . | * | trans | -69.9 | -154 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | R258 M262 | R258-G260 PolarHBondContact O-N 3.28Å; G260-M262 PolarHBondContact O-N 3.43Å | ||
| 261 | S | 85.5 | Confident | 84.3 | Confident | 89 Ų | 89 | 103.1 Ų | 103.1 | 62% | 0.622 | 55% | 0.549 | S | S | * | . | trans | -53.7 | 129.8 | 178.3 | 176.6 | 0 | 0 | 0 | 0 | 112.2 | G263 K274 | S261-G263 PolarHBondContact OG-O 3.15Å; S261-K274 WeakPolarHBondContact O-CE 2.86Å; S261-K274 PolarHBondContact O-NZ 2.94Å | ||
| 262 | M | 86.4 | Confident | 84.5 | Confident | 82 Ų | 82 | 102.7 Ų | 102.7 | 40% | 0.404 | 55% | 0.545 | S | S | . | . | trans | -78.9 | -24.5 | -178 | -69.9 | -61.8 | -66.2 | 0 | 0 | 112.8 | P259 G260 V270 L276 | P259-M262 HydrophobicContact CB-SD 4.39Å; G260-M262 PolarHBondContact O-N 3.43Å; M262-V270 HydrophobicContact CB-CG2 4.19Å; M262-V270 HydrophobicContact CE-CG1 4.41Å; M262-V270 HydrophobicContact CE-CG2 3.87Å; M262-L276 HydrophobicContact CE-CD1 3.98Å; M262-L276 HydrophobicContact CE-CD2 4.11Å; M262-L276 HydrophobicContact SD-CD2 3.86Å | ||
| 263 | G | 83.2 | Confident | 84.7 | Confident | 26 Ų | 26 | 106.5 Ų | 106.5 | 27% | 0.268 | 55% | 0.546 | S | S | . | . | S | Bend | trans | 175.2 | 165.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S261 | S261-G263 PolarHBondContact OG-O 3.15Š|
| 264 | P | 82.5 | Confident | 85 | Confident | 70 Ų | 70 | 109.3 Ų | 109.3 | 46% | 0.455 | 55% | 0.554 | S | S | . | * | trans | -68.6 | 158.1 | 169.4 | 13.4 | -2.4 | 0 | 0 | 0 | 110.2 | P267 F271 | P264-P267 HydrophobicContact CB-CG 4.29Å; P264-P267 HydrophobicContact CG-CG 3.68Å; P264-P267 WeakPolarHBondContact O-CD 3.27Å; P264-F271 HydrophobicContact CG-CE2 3.73Å | ||
| 265 | V | 81.8 | Confident | 85.4 | Confident | 130 Ų | 130 | 105.8 Ų | 105.8 | 79% | 0.788 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -63.8 | -48.9 | 177.7 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | N268 | V265-N268 PolarHBondContact O-N 2.92Å; V265-N268 PolarHBondContact O-OD1 3.5Å |
| 266 | A | 80.2 | Confident | 85.9 | Confident | 95 Ų | 95 | 101.8 Ų | 101.8 | 79% | 0.785 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -39.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 267 | P | 85.2 | Confident | 86.3 | Confident | 45 Ų | 45 | 100 Ų | 100 | 29% | 0.292 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -2.8 | 176.6 | 33.2 | -36.9 | 0 | 0 | 0 | 114.5 | P264 R269 F271 | P264-P267 HydrophobicContact CB-CG 4.29Å; P264-P267 HydrophobicContact CG-CG 3.68Å; P264-P267 WeakPolarHBondContact O-CD 3.27Å; P267-R269 HydrophobicContact CB-CG 4.31Å; P267-R269 WeakPolarHBondContact O-CG 3.39Å; P267-R269 PolarHBondContact O-N 3.41Å; P267-F271 HydrophobicContact CB-CZ 4.33Å; P267-F271 HydrophobicContact CG-CE2 4.04Å; P267-F271 HydrophobicContact CG-CZ 3.97Å |
| 268 | N | 84.7 | Confident | 86.6 | Confident | 145 Ų | 145 | 93.6 Ų | 93.6 | 78% | 0.775 | 51% | 0.51 | S | S | * | . | trans | 44.6 | 27.6 | -179.7 | -71.2 | 67.4 | 0 | 0 | 0 | 115.4 | V265 | V265-N268 PolarHBondContact O-N 2.92Å; V265-N268 PolarHBondContact O-OD1 3.5Å | ||
| 269 | R | 87.2 | Confident | 87 | Confident | 169 Ų | 169 | 95.6 Ų | 95.6 | 64% | 0.638 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -146.4 | 153.9 | -178.1 | 73.9 | -173.6 | -178.4 | 173.9 | -2.9 | 111.4 | P267 | P267-R269 HydrophobicContact CB-CG 4.31Å; P267-R269 WeakPolarHBondContact O-CG 3.39Å; P267-R269 PolarHBondContact O-N 3.41Å |
| 270 | V | 86.6 | Confident | 87.2 | Confident | 70 Ų | 70 | 95.1 Ų | 95.1 | 42% | 0.424 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 122.7 | 167.9 | -177.5 | 0 | 0 | 0 | 0 | 108 | M262 K272 K274 | M262-V270 HydrophobicContact CB-CG2 4.19Å; M262-V270 HydrophobicContact CE-CG1 4.41Å; M262-V270 HydrophobicContact CE-CG2 3.87Å; V270-K272 PolarHBondContact O-N 3.39Å; V270-K274 HydrophobicContact CG1-CB 3.68Å; V270-K274 HydrophobicContact CG1-CG 4.08Å |
| 271 | F | 86.9 | Confident | 87.6 | Confident | 106 Ų | 106 | 93.7 Ų | 93.7 | 47% | 0.465 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 140 | 174 | -72.9 | -77.8 | 0 | 0 | 0 | 110.8 | P264 P267 K274 | P264-F271 HydrophobicContact CG-CE2 3.73Å; P267-F271 HydrophobicContact CB-CZ 4.33Å; P267-F271 HydrophobicContact CG-CE2 4.04Å; P267-F271 HydrophobicContact CG-CZ 3.97Å; F271-K274 WeakPolarHBondContact O-CB 3.46Å; F271-K274 PolarHBondContact O-N 2.95Å |
| 272 | K | 88.3 | Confident | 87.7 | Confident | 194 Ų | 194 | 91 Ų | 91 | 84% | 0.843 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 144.7 | 173.3 | -65.1 | -177.6 | 179.8 | 180 | 0 | 109.3 | V270 K274 | V270-K272 PolarHBondContact O-N 3.39Å; K272-K274 VanDerWaalsContact C-N 3.29Å; K272-K274 PolarHBondContact O-N 3.3Å |
| 273 | N | 88.3 | Confident | 88 | Confident | 160 Ų | 160 | 92.1 Ų | 92.1 | 86% | 0.856 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 16.5 | -177 | -52.4 | -38.2 | 0 | 0 | 0 | 116.1 | K275 | N273-K275 PolarHBondContact O-N 3.17Å; N273-K275 VanDerWaalsContact O-N 3.15Å |
| 274 | K | 86.4 | Confident | 88.3 | Confident | 90 Ų | 90 | 98 Ų | 98 | 39% | 0.391 | 50% | 0.504 | S | S | . | . | trans | -56.2 | 122.1 | 166.3 | -176.1 | 68.8 | 171.5 | -167.4 | 0 | 110 | S261 V270 F271 K272 L276 | S261-K274 WeakPolarHBondContact O-CE 2.86Å; S261-K274 PolarHBondContact O-NZ 2.94Å; V270-K274 HydrophobicContact CG1-CB 3.68Å; V270-K274 HydrophobicContact CG1-CG 4.08Å; F271-K274 WeakPolarHBondContact O-CB 3.46Å; F271-K274 PolarHBondContact O-N 2.95Å; K272-K274 VanDerWaalsContact C-N 3.29Å; K272-K274 PolarHBondContact O-N 3.3Å; K274-L276 HydrophobicContact CG-CD2 4.28Å; K274-L276 HydrophobicContact CG-CG 4.29Å; K274-L276 PolarHBondContact O-N 3.07Å; K274-L276 VanDerWaalsContact O-N 3.07Å | ||
| 275 | K | 90.2 | Very high | 88.7 | Confident | 129 Ų | 129 | 97.5 Ų | 97.5 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | trans | -69.8 | 98.3 | -178 | -72.9 | -178.6 | -174.5 | 175.9 | 0 | 111.2 | H242 Q244 N273 | H242-K275 HydrophobicContact CB-CB 4.12Å; H242-K275 HydrophobicContact CB-CD 4.16Å; Q244-K275 PolarHBondContact NE2-O 3.14Å; N273-K275 PolarHBondContact O-N 3.17Å; N273-K275 VanDerWaalsContact O-N 3.15Å | ||
| 276 | L | 92 | Very high | 89 | Confident | 59 Ų | 59 | 94.3 Ų | 94.3 | 31% | 0.309 | 48% | 0.481 | S | S | . | . | trans | -111.5 | 170.8 | -179.3 | -66.3 | 176.2 | 0 | 0 | 0 | 112.5 | R241 H242 P259 M262 K274 | R241-L276 PolarHBondContact NH1-O 2.94Å; H242-L276 PolarHBondContact CD2-O 2.95Å; H242-L276 PolarHBondContact NE2-O 3.41Å; H242-L276 VanDerWaalsContact NE2-O 3.09Å; P259-L276 HydrophobicContact CB-CD2 4Å; M262-L276 HydrophobicContact CE-CD1 3.98Å; M262-L276 HydrophobicContact CE-CD2 4.11Å; M262-L276 HydrophobicContact SD-CD2 3.86Å; K274-L276 HydrophobicContact CG-CD2 4.28Å; K274-L276 HydrophobicContact CG-CG 4.29Å; K274-L276 PolarHBondContact O-N 3.07Å; K274-L276 VanDerWaalsContact O-N 3.07Å | ||
| 277 | A | 92.6 | Very high | 89.5 | Confident | 38 Ų | 38 | 92.4 Ų | 92.4 | 31% | 0.314 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -59.7 | 151 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F235 Q236 V238 R241 | F235-A277 HydrophobicContact CE1-CB 3.85Å; F235-A277 HydrophobicContact CZ-CB 3.7Å; Q236-A277 VanDerWaalsContact O-CA 3.3Å; Q236-A277 WeakPolarHBondContact O-CA 3.4Å; Q236-A277 WeakPolarHBondContact O-CB 3.4Å; V238-A277 HydrophobicContact CG1-CB 4.36Å; V238-A277 VanDerWaalsContact CG1-N 3.32Å; R241-A277 PolarHBondContact NH1-O 3.37Å |
| 278 | G | 93.6 | Very high | 89.6 | Confident | 9 Ų | 9 | 94 Ų | 94 | 9% | 0.093 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.4 | -176.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q236 M280 | Q236-G278 PolarHBondContact N-O 2.88Å; Q236-G278 PolarHBondContact O-N 3.01Å; G278-M280 PolarHBondContact O-N 3Å |
| 279 | R | 93.5 | Very high | 89.8 | Confident | 201 Ų | 201 | 91 Ų | 91 | 76% | 0.758 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 130.7 | 177.8 | -170.4 | 176.2 | 176.3 | 179.6 | -0 | 110.4 | G234 | G234-R279 WeakPolarHBondContact O-CA 3.4Å |
| 280 | M | 92.3 | Very high | 89.8 | Confident | 47 Ų | 47 | 84 Ų | 84 | 23% | 0.232 | 42% | 0.419 | C | S | . | . | trans | -123.8 | 139.3 | 178.1 | -173.5 | -172.3 | -170.2 | 0 | 0 | 110.6 | K233 G234 Q236 K240 R241 G278 | K233-M280 HydrophobicContact CB-CB 4.28Å; K233-M280 HydrophobicContact CB-CG 4.48Å; K233-M280 HydrophobicContact CD-CE 4.25Å; K233-M280 HydrophobicContact CD-CG 4.27Å; K233-M280 HydrophobicContact CD-SD 3.73Å; K233-M280 PolarHBondContact N-O 2.86Å; G234-M280 PolarHBondContact O-N 2.8Å; Q236-M280 HydrophobicContact CB-CB 3.98Å; Q236-M280 HydrophobicContact CB-SD 4.28Å; Q236-M280 HydrophobicContact CG-CB 3.78Å; Q236-M280 HydrophobicContact CG-SD 4.05Å; K240-M280 HydrophobicContact CG-SD 4.46Å; R241-M280 HydrophobicContact CG-CB 4.43Å; R241-M280 HydrophobicContact CG-CG 4.49Å; G278-M280 PolarHBondContact O-N 3Å | ||
| 281 | G | 91.9 | Very high | 89.7 | Confident | 13 Ų | 13 | 84.3 Ų | 84.3 | 13% | 0.134 | 42% | 0.416 | C | S | . | . | trans | 76.6 | -176.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K231 N283 | K231-G281 WeakPolarHBondContact O-CA 3.25Å; G281-N283 PolarHBondContact O-N 3.3Å | ||
| 282 | G | 88.7 | Confident | 89.6 | Confident | 34 Ų | 34 | 79.3 Ų | 79.3 | 35% | 0.351 | 39% | 0.394 | S | S | . | . | trans | 75 | 9.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T230 | T230-G282 VanDerWaalsContact O-CA 3.31Å; T230-G282 WeakPolarHBondContact O-CA 3.48Å; T230-G282 PolarHBondContact O-N 3.4Å; T230-G282 VanDerWaalsContact O-N 3.1Å; T230-G282 PolarHBondContact OG1-N 3.2Å | ||
| 283 | N | 91.2 | Very high | 89.4 | Confident | 105 Ų | 105 | 71.9 Ų | 71.9 | 56% | 0.561 | 37% | 0.365 | S | S | * | . | trans | -87.2 | 147.4 | 176.9 | -62.5 | -17 | 0 | 0 | 0 | 109.9 | T230 G281 V285 | T230-N283 PolarHBondContact N-O 3.38Å; T230-N283 PolarHBondContact OG1-N 2.99Å; T230-N283 PolarHBondContact OG1-O 3.28Å; G281-N283 PolarHBondContact O-N 3.3Å; N283-V285 PolarHBondContact O-N 3.38Å | ||
| 284 | R | 90.4 | Very high | 89.1 | Confident | 148 Ų | 148 | 70.4 Ų | 70.4 | 56% | 0.558 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 122.6 | 167.9 | -168.2 | 175.1 | -173.3 | 179.8 | 0.2 | 108.4 | T227 G228 | T227-R284 HydrophobicContact CG2-CG 3.61Å; T227-R284 VanDerWaalsContact CG2-NE 3.32Å; G228-R284 WeakPolarHBondContact O-CA 3.37Å |
| 285 | V | 90.8 | Very high | 88.8 | Confident | 60 Ų | 60 | 67.7 Ų | 67.7 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 139.1 | 179.6 | 174.9 | 0 | 0 | 0 | 0 | 108.4 | T227 G228 T230 N283 | T227-V285 WeakPolarHBondContact CA-O 3.24Å; G228-V285 PolarHBondContact N-O 3.24Å; G228-V285 PolarHBondContact O-N 3.24Å; T230-V285 HydrophobicContact CG2-CB 3.77Å; T230-V285 HydrophobicContact CG2-CG2 3.44Å; T230-V285 VanDerWaalsContact CG2-CG2 3.44Å; N283-V285 PolarHBondContact O-N 3.38Å |
| 286 | T | 88.7 | Confident | 88.4 | Confident | 64 Ų | 64 | 63.1 Ų | 63.1 | 39% | 0.393 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 124.1 | 172.9 | -54.4 | 0 | 0 | 0 | 0 | 108.3 | D225 V226 T227 Q288 | D225-T286 HydrophobicContact CB-CG2 4.03Å; V226-T286 CarbonylContact O-C 3.58Å; V226-T286 WeakPolarHBondContact O-CA 3.14Å; T227-T286 WeakPolarHBondContact CG2-OG1 3.19Å; T227-T286 WeakPolarHBondContact OG1-CB 3.46Å; T227-T286 VanDerWaalsContact OG1-CG2 3.31Å; T227-T286 WeakPolarHBondContact OG1-CG2 3.41Å; T227-T286 PolarHBondContact OG1-OG1 3.16Å; T286-Q288 HydrophobicContact CG2-CG 4.29Å |
| 287 | I | 89.5 | Confident | 87.6 | Confident | 55 Ų | 55 | 62.3 Ų | 62.3 | 28% | 0.282 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 122.9 | 166.6 | -59.4 | -176 | 0 | 0 | 0 | 105.8 | V226 L290 N307 P309 | V226-I287 PolarHBondContact N-O 2.73Å; V226-I287 PolarHBondContact O-N 3.5Å; I287-L290 HydrophobicContact CB-CD1 4.11Å; I287-L290 HydrophobicContact CG2-CD1 3.83Å; I287-L290 HydrophobicContact CG2-CD2 3.81Å; I287-L290 HydrophobicContact CG2-CG 3.87Å; I287-N307 VanDerWaalsContact CD1-O 3.26Å; I287-N307 WeakPolarHBondContact CD1-O 3.44Å; I287-P309 HydrophobicContact CG1-CG 4.46Å |
| 288 | Q | 88.1 | Confident | 87 | Confident | 78 Ų | 78 | 68.1 Ų | 68.1 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 158.9 | -175.1 | -53.2 | -161.3 | -75.9 | 0 | 0 | 111.3 | D225 T286 L290 | D225-Q288 WeakPolarHBondContact OD1-CA 2.94Å; D225-Q288 VanDerWaalsContact OD1-CB 3.31Å; D225-Q288 WeakPolarHBondContact OD1-CB 3.42Å; D225-Q288 PolarHBondContact OD2-NE2 3.41Å; T286-Q288 HydrophobicContact CG2-CG 4.29Å; Q288-L290 PolarHBondContact O-N 3.47Å |
| 289 | N | 88.3 | Confident | 86 | Confident | 83 Ų | 83 | 72.9 Ų | 72.9 | 44% | 0.444 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 56.4 | 46.4 | 171.7 | -60.1 | -10.2 | 0 | 0 | 0 | 114.3 | I223 I224 D225 | I223-N289 HydrophobicContact CG2-CB 4.02Å; I224-N289 PolarHBondContact O-N 2.95Å; D225-N289 PolarHBondContact OD1-N 2.7Å; D225-N289 VanDerWaalsContact OD1-N 3.08Å |
| 290 | L | 86.7 | Confident | 85.3 | Confident | 20 Ų | 20 | 65.5 Ų | 65.5 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 139.7 | 171 | -63.5 | 176 | 0 | 0 | 0 | 109.7 | I223 I224 V226 I287 Q288 V304 | I223-L290 WeakPolarHBondContact CA-O 3.32Å; I224-L290 HydrophobicContact CG1-CB 4.25Å; I224-L290 VanDerWaalsContact CG1-O 3.23Å; I224-L290 WeakPolarHBondContact CG1-O 3.32Å; I224-L290 PolarHBondContact N-O 3.24Å; I224-L290 PolarHBondContact O-N 3.25Å; V226-L290 HydrophobicContact CB-CD1 3.78Å; V226-L290 HydrophobicContact CG2-CB 4.42Å; V226-L290 HydrophobicContact CG2-CD1 3.6Å; I287-L290 HydrophobicContact CB-CD1 4.11Å; I287-L290 HydrophobicContact CG2-CD1 3.83Å; I287-L290 HydrophobicContact CG2-CD2 3.81Å; I287-L290 HydrophobicContact CG2-CG 3.87Å; Q288-L290 PolarHBondContact O-N 3.47Å; L290-V304 HydrophobicContact CB-CG1 3.6Å; L290-V304 HydrophobicContact CD1-CG1 4Å; L290-V304 HydrophobicContact CG-CG1 4.35Å |
| 291 | E | 86.1 | Confident | 84.9 | Confident | 78 Ų | 78 | 64.4 Ų | 64.4 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 135.2 | -178.5 | -174.1 | -175.8 | 177.9 | 0 | 0 | 110.2 | K305 | E291-K305 HydrophobicContact CB-CB 4.14Å; E291-K305 HydrophobicContact CB-CD 4.18Å; E291-K305 WeakPolarHBondContact O-CB 3.34Å; E291-K305 PolarHBondContact O-N 2.89Å; E291-K305 VanDerWaalsContact OE2-CD 3.23Å; E291-K305 WeakPolarHBondContact OE2-CD 3.47Å; E291-K305 IonicContact OE2-NZ 3.11Å; E291-K305 PolarHBondContact OE2-NZ 2.8Å |
| 292 | I | 84.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 116.1 | 169.4 | -61.7 | -176.7 | 0 | 0 | 0 | 108.6 | F218 G221 D222 I224 V295 I302 | F218-I292 HydrophobicContact CB-CD1 3.7Å; F218-I292 HydrophobicContact CD1-CD1 3.77Å; F218-I292 HydrophobicContact CG-CD1 3.89Å; G221-I292 PolarHBondContact N-O 2.8Å; D222-I292 HydrophobicContact CB-CD1 4.14Å; D222-I292 HydrophobicContact CB-CG1 4.48Å; D222-I292 PolarHBondContact O-N 3.47Å; I224-I292 HydrophobicContact CD1-CD1 3.99Å; I224-I292 HydrophobicContact CD1-CG1 3.7Å; I224-I292 HydrophobicContact CG1-CD1 4.42Å; I224-I292 HydrophobicContact CG1-CG1 4Å; I224-I292 HydrophobicContact CG2-CD1 3.82Å; I224-I292 HydrophobicContact CG2-CG1 4.19Å; I292-V295 HydrophobicContact CG2-CG2 3.61Å; I292-I302 HydrophobicContact CD1-CG2 3.97Å; I292-I302 HydrophobicContact CG1-CG2 4.08Å; I292-I302 HydrophobicContact CG2-CG2 3.86Å |
| 293 | V | 83.3 | Confident | 84.4 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 23% | 0.23 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | -40.4 | 179.8 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | I139 V141 L303 K305 | I139-V293 HydrophobicContact CG2-CG2 4.3Å; V141-V293 HydrophobicContact CG1-CB 4.21Å; V141-V293 HydrophobicContact CG1-CG1 4.47Å; V141-V293 HydrophobicContact CG1-CG2 3.77Å; V293-L303 PolarHBondContact N-O 3.44Å; V293-K305 HydrophobicContact CG2-CB 3.84Å |
| 294 | R | 81.6 | Confident | 84.1 | Confident | 129 Ų | 129 | 58.2 Ų | 58.2 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 145.7 | -178.9 | 177.2 | 173.3 | 177 | 175.7 | -1 | 110.3 | L303 | R294-L303 HydrophobicContact CB-CB 4.37Å; R294-L303 HydrophobicContact CB-CD1 3.78Å; R294-L303 HydrophobicContact CG-CD1 4.18Å; R294-L303 WeakPolarHBondContact O-CB 3.38Å; R294-L303 PolarHBondContact O-N 3.28Å |
| 295 | V | 80.3 | Confident | 83.9 | Confident | 34 Ų | 34 | 55 Ų | 55 | 21% | 0.206 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.7 | 171.3 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | V215 F218 I292 | V215-V295 HydrophobicContact CB-CG1 4.42Å; V215-V295 HydrophobicContact CG1-CG1 3.51Å; F218-V295 HydrophobicContact CB-CG2 4.19Å; I292-V295 HydrophobicContact CG2-CG2 3.61Å |
| 296 | D | 82.1 | Confident | 83.6 | Confident | 33 Ų | 33 | 53 Ų | 53 | 18% | 0.176 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 101.4 | 173.4 | -174.2 | -31.2 | 0 | 0 | 0 | 107.8 | D298 R299 N300 V301 | D296-D298 PolarHBondContact OD1-N 3.19Å; D296-R299 PolarHBondContact OD1-N 3.05Å; D296-R299 WeakPolarHBondContact OD2-CD 3.4Å; D296-R299 IonicContact OD2-NE 2.87Å; D296-R299 PolarHBondContact OD2-NE 3.28Å; D296-N300 WeakPolarHBondContact O-CA 3.35Å; D296-N300 PolarHBondContact O-N 3.46Å; D296-N300 VanDerWaalsContact O-N 3.09Å; D296-V301 HydrophobicContact CB-CB 4.44Å; D296-V301 PolarHBondContact N-O 3.24Å; D296-V301 PolarHBondContact O-N 3.35Å |
| 297 | A | 76.3 | Confident | 83.4 | Confident | 42 Ų | 42 | 55 Ų | 55 | 35% | 0.347 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -37.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D216 R299 N300 | D216-A297 WeakPolarHBondContact OD1-CB 3.49Å; A297-R299 VanDerWaalsContact C-N 3.27Å; A297-R299 PolarHBondContact O-N 3.31Å; A297-N300 PolarHBondContact O-N 2.88Å |
| 298 | D | 78.5 | Confident | 83.4 | Confident | 159 Ų | 159 | 52.6 Ų | 52.6 | 85% | 0.85 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -38.7 | -178.4 | -64.4 | -31.8 | 0 | 0 | 0 | 111.3 | D296 | D296-D298 PolarHBondContact OD1-N 3.19Š|
| 299 | R | 72.3 | Confident | 83.3 | Confident | 110 Ų | 110 | 49.4 Ų | 49.4 | 42% | 0.415 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -5.3 | 179.7 | -59.3 | 179.1 | -166.8 | -131.7 | -23.3 | 113.8 | M116 D296 A297 V301 | M116-R299 PolarHBondContact O-NH1 3.21Å; M116-R299 PolarHBondContact O-NH2 3.08Å; D296-R299 PolarHBondContact OD1-N 3.05Å; D296-R299 WeakPolarHBondContact OD2-CD 3.4Å; D296-R299 IonicContact OD2-NE 2.87Å; D296-R299 PolarHBondContact OD2-NE 3.28Å; A297-R299 VanDerWaalsContact C-N 3.27Å; A297-R299 PolarHBondContact O-N 3.31Å; R299-V301 VanDerWaalsContact C-N 3.31Å; R299-V301 HydrophobicContact CB-CB 4.33Å; R299-V301 HydrophobicContact CB-CG2 3.86Å; R299-V301 PolarHBondContact O-N 3.04Å |
| 300 | N | 80.2 | Confident | 83.2 | Confident | 46 Ų | 46 | 46 Ų | 46 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 45.6 | -169.8 | -58 | -78.4 | 0 | 0 | 0 | 112.5 | A146 V215 D296 A297 | A146-N300 PolarHBondContact N-O 3.48Å; V215-N300 HydrophobicContact CG2-CB 3.86Å; D296-N300 WeakPolarHBondContact O-CA 3.35Å; D296-N300 PolarHBondContact O-N 3.46Å; D296-N300 VanDerWaalsContact O-N 3.09Å; A297-N300 PolarHBondContact O-N 2.88Å |
| 301 | V | 83.4 | Confident | 83 | Confident | 24 Ų | 24 | 46.9 Ų | 46.9 | 15% | 0.145 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 135.1 | -176.7 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | V143 I144 D296 R299 L303 | V143-V301 HydrophobicContact CG1-CG1 3.4Å; I144-V301 CarbonylContact O-C 3.49Å; I144-V301 WeakPolarHBondContact O-CA 3.41Å; D296-V301 HydrophobicContact CB-CB 4.44Å; D296-V301 PolarHBondContact N-O 3.24Å; D296-V301 PolarHBondContact O-N 3.35Å; R299-V301 VanDerWaalsContact C-N 3.31Å; R299-V301 HydrophobicContact CB-CB 4.33Å; R299-V301 HydrophobicContact CB-CG2 3.86Å; R299-V301 PolarHBondContact O-N 3.04Å; V301-L303 HydrophobicContact CG1-CD2 4.36Å; V301-L303 HydrophobicContact CG1-CG 4.48Å |
| 302 | I | 83.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.7 | 171.5 | -53.7 | 172.9 | 0 | 0 | 0 | 108.4 | I144 A146 V215 F218 I292 V304 I318 | I144-I302 HydrophobicContact CB-CB 4.46Å; I144-I302 PolarHBondContact N-O 2.8Å; I144-I302 PolarHBondContact O-N 3.49Å; A146-I302 HydrophobicContact CB-CD1 4.01Å; A146-I302 HydrophobicContact CB-CG1 4.37Å; V215-I302 HydrophobicContact CG1-CD1 3.81Å; V215-I302 HydrophobicContact CG1-CG1 3.32Å; F218-I302 HydrophobicContact CD2-CD1 3.75Å; F218-I302 HydrophobicContact CE2-CD1 4.1Å; F218-I302 HydrophobicContact CG-CD1 4.44Å; I292-I302 HydrophobicContact CD1-CG2 3.97Å; I292-I302 HydrophobicContact CG1-CG2 4.08Å; I292-I302 HydrophobicContact CG2-CG2 3.86Å; I302-V304 HydrophobicContact CG2-CG2 3.8Å; I302-I318 HydrophobicContact CD1-CD1 3.71Å |
| 303 | L | 85.5 | Confident | 82.4 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 109.2 | 174.2 | -63.8 | 167.2 | 0 | 0 | 0 | 108.8 | I131 V141 V143 V293 R294 V301 | I131-L303 HydrophobicContact CD1-CB 4.5Å; I131-L303 HydrophobicContact CD1-CD1 3.46Å; I131-L303 VanDerWaalsContact CD1-CD1 3.46Å; I131-L303 HydrophobicContact CD1-CD2 4.27Å; I131-L303 HydrophobicContact CD1-CG 4.28Å; V141-L303 HydrophobicContact CG2-CD2 4.25Å; V143-L303 HydrophobicContact CB-CD2 4.26Å; V143-L303 HydrophobicContact CG1-CD2 4.31Å; V143-L303 HydrophobicContact CG2-CD2 3.73Å; V293-L303 PolarHBondContact N-O 3.44Å; R294-L303 HydrophobicContact CB-CB 4.37Å; R294-L303 HydrophobicContact CB-CD1 3.78Å; R294-L303 HydrophobicContact CG-CD1 4.18Å; R294-L303 WeakPolarHBondContact O-CB 3.38Å; R294-L303 PolarHBondContact O-N 3.28Å; V301-L303 HydrophobicContact CG1-CD2 4.36Å; V301-L303 HydrophobicContact CG1-CG 4.48Å |
| 304 | V | 86.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 131.7 | -178.5 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | V141 T142 I144 I224 L290 I302 G306 | V141-V304 CarbonylContact C-O 3.55Å; V141-V304 VanDerWaalsContact CA-O 3.31Å; V141-V304 WeakPolarHBondContact CA-O 3.37Å; T142-V304 PolarHBondContact N-O 3.15Å; T142-V304 PolarHBondContact O-N 3.06Å; I144-V304 HydrophobicContact CD1-CB 4.26Å; I144-V304 HydrophobicContact CD1-CG2 3.52Å; I144-V304 HydrophobicContact CG1-CG2 4.24Å; I224-V304 HydrophobicContact CD1-CG1 4.2Å; I224-V304 HydrophobicContact CD1-CG2 3.78Å; L290-V304 HydrophobicContact CB-CG1 3.6Å; L290-V304 HydrophobicContact CD1-CG1 4Å; L290-V304 HydrophobicContact CG-CG1 4.35Å; I302-V304 HydrophobicContact CG2-CG2 3.8Å; V304-G306 PolarHBondContact O-N 3.28Å |
| 305 | K | 85.3 | Confident | 82.5 | Confident | 79 Ų | 79 | 51 Ų | 51 | 34% | 0.343 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 129.7 | 176.2 | -173.5 | 166.5 | 176 | 177.1 | 0 | 110.9 | I139 E291 V293 | I139-K305 HydrophobicContact CG2-CB 4.42Å; I139-K305 HydrophobicContact CG2-CD 4.04Å; I139-K305 HydrophobicContact CG2-CG 3.71Å; E291-K305 HydrophobicContact CB-CB 4.14Å; E291-K305 HydrophobicContact CB-CD 4.18Å; E291-K305 WeakPolarHBondContact O-CB 3.34Å; E291-K305 PolarHBondContact O-N 2.89Å; E291-K305 VanDerWaalsContact OE2-CD 3.23Å; E291-K305 WeakPolarHBondContact OE2-CD 3.47Å; E291-K305 IonicContact OE2-NZ 3.11Å; E291-K305 PolarHBondContact OE2-NZ 2.8Å; V293-K305 HydrophobicContact CG2-CB 3.84Å |
| 306 | G | 84.5 | Confident | 82.8 | Confident | 18 Ų | 18 | 50.8 Ų | 50.8 | 19% | 0.186 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 79.5 | -151.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | P140 T142 V304 | P140-G306 PolarHBondContact O-N 3.22Å; T142-G306 PolarHBondContact OG1-O 3.28Å; V304-G306 PolarHBondContact O-N 3.28Å |
| 307 | N | 85 | Confident | 82.9 | Confident | 106 Ų | 106 | 49.9 Ų | 49.9 | 57% | 0.567 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -94.4 | 131.3 | -167.6 | -67.5 | -57.3 | 0 | 0 | 0 | 112.2 | M128 I287 | M128-N307 HydrophobicContact CE-CB 4.32Å; M128-N307 WeakPolarHBondContact CE-OD1 3.28Å; I287-N307 VanDerWaalsContact CD1-O 3.26Å; I287-N307 WeakPolarHBondContact CD1-O 3.44Å |
| 308 | V | 87.9 | Confident | 83.4 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 4% | 0.036 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -103.7 | 138.7 | 172.7 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | K125 T142 I144 V226 I316 | K125-V308 PolarHBondContact NZ-O 2.91Å; T142-V308 HydrophobicContact CG2-CB 3.92Å; T142-V308 HydrophobicContact CG2-CG2 3.69Å; I144-V308 HydrophobicContact CD1-CG2 3.99Å; I144-V308 HydrophobicContact CG1-CG2 4.44Å; V226-V308 HydrophobicContact CG1-CG1 3.74Å; V226-V308 HydrophobicContact CG1-CG2 4.32Å; V308-I316 HydrophobicContact CG1-CD1 3.27Å; V308-I316 HydrophobicContact CG1-CG1 3.63Å; V308-I316 HydrophobicContact CG1-CG2 4.12Å |
| 309 | P | 86.9 | Confident | 83.5 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 7% | 0.065 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -61.5 | 142.5 | -178.3 | 25.8 | -36 | 0 | 0 | 0 | 112.8 | I287 | I287-P309 HydrophobicContact CG1-CG 4.46Š|
| 310 | G | 86.8 | Confident | 83.7 | Confident | 11 Ų | 11 | 44.6 Ų | 44.6 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 105 | 179 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | T229 | T229-G310 WeakPolarHBondContact O-CA 3.27Š|
| 311 | A | 82.8 | Confident | 83.5 | Confident | 40 Ų | 40 | 43.3 Ų | 43.3 | 33% | 0.331 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -70.6 | 168.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K231 K313 S314 | K231-A311 HydrophobicContact CG-CB 3.97Å; A311-K313 PolarHBondContact O-N 3.05Å; A311-S314 PolarHBondContact O-N 2.83Å; A311-S314 PolarHBondContact O-OG 2.86Å |
| 312 | K | 78.8 | Confident | 83 | Confident | 142 Ų | 142 | 47.8 Ų | 47.8 | 62% | 0.617 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 139.6 | 158.4 | -69.5 | -169.3 | 179.8 | -172.1 | 0 | 106.2 | S314 | K312-S314 PolarHBondContact O-N 3.27Š|
| 313 | K | 78.9 | Confident | 82.6 | Confident | 113 Ų | 113 | 53.7 Ų | 53.7 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 23.3 | 174.3 | -51.1 | -166.5 | 146.2 | -174.5 | 0 | 117.8 | K124 K125 A311 | K124-K313 VanDerWaalsContact CB-CA 3.45Å; K124-K313 HydrophobicContact CB-CB 3.47Å; K124-K313 VanDerWaalsContact CB-CB 3.47Å; K124-K313 HydrophobicContact CB-CD 4.23Å; K124-K313 HydrophobicContact CB-CG 3.54Å; K124-K313 HydrophobicContact CD-CB 3.34Å; K124-K313 HydrophobicContact CD-CD 3.73Å; K124-K313 HydrophobicContact CD-CG 3.78Å; K124-K313 WeakPolarHBondContact CE-O 3.45Å; K124-K313 VanDerWaalsContact CG-CA 3.45Å; K124-K313 HydrophobicContact CG-CB 3.38Å; K124-K313 HydrophobicContact CG-CD 4.43Å; K124-K313 HydrophobicContact CG-CG 3.94Å; K124-K313 PolarHBondContact NZ-O 3.33Å; K125-K313 PolarHBondContact O-N 3.07Å; A311-K313 PolarHBondContact O-N 3.05Å |
| 314 | S | 82.4 | Confident | 81.3 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | trans | -84.2 | 150 | 172.1 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | A311 K312 | A311-S314 PolarHBondContact O-N 2.83Å; A311-S314 PolarHBondContact O-OG 2.86Å; K312-S314 PolarHBondContact O-N 3.27Å | ||
| 315 | L | 84.4 | Confident | 79.3 | Confident | 51 Ų | 51 | 68.5 Ų | 68.5 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | trans | -65.8 | 134.3 | 167.1 | -172.2 | 91.9 | 0 | 0 | 0 | 109.5 | Y169 F195 | Y169-L315 HydrophobicContact CD1-CD1 3.49Å; Y169-L315 VanDerWaalsContact CD1-CD1 3.49Å; Y169-L315 HydrophobicContact CE1-CD1 3.79Å; Y169-L315 HydrophobicContact CG-CD1 4.35Å; F195-L315 HydrophobicContact CB-CD1 4.24Å; F195-L315 HydrophobicContact CB-CD2 4.41Å; F195-L315 HydrophobicContact CD1-CD2 4.2Å; F195-L315 HydrophobicContact CD2-CD1 3.95Å; F195-L315 HydrophobicContact CE2-CD1 4.4Å; F195-L315 HydrophobicContact CG-CD1 3.99Å; F195-L315 HydrophobicContact CG-CD2 4.3Å | ||
| 316 | I | 85.9 | Confident | 79 | Confident | 29 Ų | 29 | 68 Ų | 68 | 15% | 0.149 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 147 | 179.4 | -68.6 | 141.2 | 0 | 0 | 0 | 108 | K125 V226 T227 V308 I318 | K125-I316 HydrophobicContact CB-CD1 4.38Å; V226-I316 HydrophobicContact CG1-CG2 3.13Å; T227-I316 CarbonylContact O-C 3.59Å; T227-I316 WeakPolarHBondContact O-CA 3.47Å; V308-I316 HydrophobicContact CG1-CD1 3.27Å; V308-I316 HydrophobicContact CG1-CG1 3.63Å; V308-I316 HydrophobicContact CG1-CG2 4.12Å; I316-I318 HydrophobicContact CG2-CG1 4.39Å |
| 317 | T | 85.5 | Confident | 78.7 | Confident | 13 Ų | 13 | 70.6 Ų | 70.6 | 8% | 0.08 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.7 | 172.4 | -59.3 | 0 | 0 | 0 | 0 | 107.8 | F199 T227 K319 | F199-T317 HydrophobicContact CE1-CG2 3.41Å; F199-T317 VanDerWaalsContact CE1-CG2 3.41Å; F199-T317 HydrophobicContact CZ-CG2 3.51Å; T227-T317 PolarHBondContact N-O 3.39Å; T227-T317 PolarHBondContact O-N 3.26Å; T317-K319 HydrophobicContact CG2-CG 4.37Å |
| 318 | I | 85.6 | Confident | 78.3 | Confident | 27 Ų | 27 | 68.6 Ų | 68.6 | 14% | 0.138 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 135.4 | 173.9 | -59.7 | 173.6 | 0 | 0 | 0 | 107.7 | I144 F218 I224 I302 I316 | I144-I318 HydrophobicContact CD1-CD1 4Å; I144-I318 HydrophobicContact CG2-CD1 4.27Å; F218-I318 HydrophobicContact CE1-CG2 3.75Å; F218-I318 HydrophobicContact CE2-CG2 4.42Å; F218-I318 HydrophobicContact CZ-CB 4.25Å; F218-I318 HydrophobicContact CZ-CG2 3.6Å; I224-I318 HydrophobicContact CB-CG2 3.98Å; I224-I318 HydrophobicContact CD1-CG2 3.7Å; I224-I318 HydrophobicContact CG1-CG2 4.43Å; I224-I318 HydrophobicContact CG2-CG2 4.02Å; I302-I318 HydrophobicContact CD1-CD1 3.71Å; I316-I318 HydrophobicContact CG2-CG1 4.39Å |
| 319 | K | 80.3 | Confident | 77.8 | Confident | 78 Ų | 78 | 72.3 Ų | 72.3 | 34% | 0.339 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 155 | 171.4 | -69.3 | -169.8 | 170.6 | -155.2 | 0 | 109.1 | F199 I224 D225 T317 | F199-K319 HydrophobicContact CD1-CG 4.2Å; F199-K319 HydrophobicContact CE1-CG 4.02Å; I224-K319 CarbonylContact C-O 3.51Å; I224-K319 WeakPolarHBondContact CA-O 3.34Å; I224-K319 WeakPolarHBondContact CB-O 3.39Å; D225-K319 PolarHBondContact N-O 2.96Å; D225-K319 PolarHBondContact O-N 3.46Å; T317-K319 HydrophobicContact CG2-CG 4.37Å |
| 320 | S | 78.1 | Confident | 77.2 | Confident | 95 Ų | 95 | 76.2 Ų | 76.2 | 66% | 0.664 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 142.7 | 164.2 | -46.9 | 0 | 0 | 0 | 0 | 109.8 | V322 | S320-V322 PolarHBondContact O-N 2.91Å |
| 321 | A | 75.8 | Confident | 76.6 | Confident | 20 Ų | 20 | 80.5 Ų | 80.5 | 17% | 0.165 | 43% | 0.425 | C | S | . | . | trans | -65.8 | 131.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112 | I223 K323 A324 | I223-A321 HydrophobicContact CB-CB 4.15Å; I223-A321 HydrophobicContact CG2-CB 3.67Å; I223-A321 WeakPolarHBondContact O-CB 3.49Å; I223-A321 PolarHBondContact O-N 3.45Å; I223-A321 VanDerWaalsContact O-N 3.13Å; A321-K323 VanDerWaalsContact C-N 3.34Å; A321-A324 HydrophobicContact CB-CB 4.39Å | ||
| 322 | V | 73 | Confident | 76.1 | Confident | 118 Ų | 118 | 83.4 Ų | 83.4 | 72% | 0.715 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -23.2 | 178.2 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | S320 | S320-V322 PolarHBondContact O-N 2.91Š|
| 323 | K | 73.7 | Confident | 75.9 | Confident | 123 Ų | 123 | 78.9 Ų | 78.9 | 54% | 0.535 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 33.8 | -172.6 | -62.3 | -179.9 | -177 | 161.9 | 0 | 112.8 | A321 K325 | A321-K323 VanDerWaalsContact C-N 3.34Å; K323-K325 PolarHBondContact O-N 2.91Å; K323-K325 VanDerWaalsContact O-N 3.09Å |
| 324 | A | 58.7 | Low | 75.7 | Confident | 66 Ų | 66 | 76.1 Ų | 76.1 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | trans | -57.1 | 118.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | A321 | A321-A324 HydrophobicContact CB-CB 4.39Š| ||
| 325 | K | 44.4 | Very low | 75 | Confident | 267 Ų | 267 | 80.6 Ų | 80.6 | 100% | 1.161 | 43% | 0.433 | S | S | * | . | trans | -108.9 | 0 | 168.7 | -87.6 | -167.3 | 176.7 | -171 | 0 | 107.4 | K323 | K323-K325 PolarHBondContact O-N 2.91Å; K323-K325 VanDerWaalsContact O-N 3.09Å |
Retrieved 325 of 325 residues in 156.9 ms
(Link to these results)