| 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 | 39.8 | Very low | 56.6 | Low | 227 Ų | 227 | 121.6 Ų | 121.6 | 100% | 1.118 | 65% | 0.648 | S | S | * | * | 0 | 43.9 | 0 | -68.1 | -177.9 | 131.9 | 0 | 0 | 113.2 | |||||
| 2 | H | 51.8 | Low | 58 | Low | 190 Ų | 190 | 119.6 Ų | 119.6 | 88% | 0.88 | 64% | 0.635 | S | S | * | * | trans | -130.2 | 9.2 | -177 | -71.1 | -71.5 | 0 | 0 | 0 | 116 | ||||
| 3 | G | 55.1 | Low | 59.4 | Low | 48 Ų | 48 | 118.5 Ų | 118.5 | 50% | 0.495 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -100.9 | -28.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | S6 | G3-S6 PolarHBondContact O-OG 3.25Å; G3-S6 VanDerWaalsContact O-OG 3.11Å |
| 4 | L | 52.5 | Low | 60.8 | Low | 145 Ų | 145 | 118.3 Ų | 118.3 | 76% | 0.759 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -84.9 | -27.1 | -169.4 | -76.6 | 165.9 | 0 | 0 | 0 | 114.2 | S6 L7 | L4-S6 VanDerWaalsContact C-N 3.33Å; L4-S6 PolarHBondContact O-N 3.29Å; L4-L7 PolarHBondContact O-N 2.73Å |
| 5 | L | 52.2 | Low | 62 | Low | 135 Ų | 135 | 120 Ų | 120 | 71% | 0.707 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.7 | -27.8 | 178.3 | -74.5 | 168.2 | 0 | 0 | 0 | 112.6 | L7 T8 V9 | L5-L7 VanDerWaalsContact C-N 3.3Å; L5-L7 PolarHBondContact O-N 2.75Å; L5-T8 PolarHBondContact O-N 3.49Å; L5-T8 PolarHBondContact O-OG1 3.11Å; L5-V9 VanDerWaalsContact O-CG2 3.24Å; L5-V9 WeakPolarHBondContact O-CG2 3.42Å; L5-V9 PolarHBondContact O-N 3.2Å |
| 6 | S | 55.7 | Low | 63.1 | Low | 71 Ų | 71 | 123.1 Ų | 123.1 | 50% | 0.497 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -71.6 | -27.5 | 178.6 | 68 | 0 | 0 | 0 | 0 | 112.6 | G3 L4 | G3-S6 PolarHBondContact O-OG 3.25Å; G3-S6 VanDerWaalsContact O-OG 3.11Å; L4-S6 VanDerWaalsContact C-N 3.33Å; L4-S6 PolarHBondContact O-N 3.29Å |
| 7 | L | 57.1 | Low | 64.2 | Low | 117 Ų | 117 | 121.2 Ų | 121.2 | 61% | 0.613 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75.6 | -29.7 | 177.7 | -81.7 | 161.9 | 0 | 0 | 0 | 112.7 | L4 L5 P11 | L4-L7 PolarHBondContact O-N 2.73Å; L5-L7 VanDerWaalsContact C-N 3.3Å; L5-L7 PolarHBondContact O-N 2.75Å; L7-P11 WeakPolarHBondContact O-CD 3.38Å |
| 8 | T | 60.1 | Low | 65.2 | Low | 76 Ų | 76 | 117.9 Ų | 117.9 | 47% | 0.466 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -87.3 | -26.6 | 179.2 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | L5 P11 | L5-T8 PolarHBondContact O-N 3.49Å; L5-T8 PolarHBondContact O-OG1 3.11Å; T8-P11 WeakPolarHBondContact O-CD 3.32Å; T8-P11 VanDerWaalsContact O-CG 3.25Å; T8-P11 WeakPolarHBondContact O-CG 3.42Å |
| 9 | V | 60.6 | Low | 66 | Low | 74 Ų | 74 | 114.3 Ų | 114.3 | 45% | 0.448 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.2 | -34.6 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | L5 I12 H13 | L5-V9 VanDerWaalsContact O-CG2 3.24Å; L5-V9 WeakPolarHBondContact O-CG2 3.42Å; L5-V9 PolarHBondContact O-N 3.2Å; V9-I12 PolarHBondContact O-N 3.1Å; V9-H13 PolarHBondContact O-N 3.42Å |
| 10 | R | 65.7 | Low | 66.8 | Low | 188 Ų | 188 | 114.2 Ų | 114.2 | 71% | 0.709 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -58.9 | -50.8 | 178.4 | -78.7 | -173.3 | 175.7 | -158.7 | 0.1 | 114.5 | I12 H13 I14 | R10-I12 VanDerWaalsContact C-N 3.33Å; R10-I12 PolarHBondContact O-N 3.24Å; R10-H13 PolarHBondContact O-N 3.15Å; R10-I14 WeakPolarHBondContact O-CG1 3.29Å; R10-I14 PolarHBondContact O-N 3.14Å; R10-I14 VanDerWaalsContact O-N 3.09Å |
| 11 | P | 71.6 | Confident | 67.6 | Low | 67 Ų | 67 | 116 Ų | 116 | 44% | 0.435 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.4 | -35.3 | -178.9 | 23.2 | -33.5 | 0 | 0 | 0 | 112.7 | L7 T8 H13 I14 Q15 | L7-P11 WeakPolarHBondContact O-CD 3.38Å; T8-P11 WeakPolarHBondContact O-CD 3.32Å; T8-P11 VanDerWaalsContact O-CG 3.25Å; T8-P11 WeakPolarHBondContact O-CG 3.42Å; P11-H13 PolarHBondContact O-N 2.98Å; P11-I14 PolarHBondContact O-N 3.39Å; P11-Q15 WeakPolarHBondContact O-CB 3.13Å; P11-Q15 WeakPolarHBondContact O-CG 3.47Å; P11-Q15 PolarHBondContact O-N 3.05Å |
| 12 | I | 74.4 | Confident | 69.5 | Low | 97 Ų | 97 | 107.3 Ų | 107.3 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.4 | -42.1 | 177.9 | -61.6 | 170.3 | 0 | 0 | 0 | 110.7 | V9 R10 R16 | V9-I12 PolarHBondContact O-N 3.1Å; R10-I12 VanDerWaalsContact C-N 3.33Å; R10-I12 PolarHBondContact O-N 3.24Å; I12-R16 WeakPolarHBondContact O-CG 3.49Å; I12-R16 PolarHBondContact O-N 2.9Å |
| 13 | H | 75.4 | Confident | 70.7 | Confident | 106 Ų | 106 | 103.6 Ų | 103.6 | 49% | 0.491 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 175.8 | -93.2 | -75.4 | 0 | 0 | 0 | 112.7 | V9 R10 P11 R16 I17 | V9-H13 PolarHBondContact O-N 3.42Å; R10-H13 PolarHBondContact O-N 3.15Å; P11-H13 PolarHBondContact O-N 2.98Å; H13-R16 PolarHBondContact O-N 3.46Å; H13-I17 WeakPolarHBondContact O-CB 3.47Å; H13-I17 WeakPolarHBondContact O-CD1 3.46Å; H13-I17 VanDerWaalsContact O-CG1 3.22Å; H13-I17 WeakPolarHBondContact O-CG1 3.5Å; H13-I17 PolarHBondContact O-N 2.93Å |
| 14 | I | 79.1 | Confident | 71.8 | Confident | 115 Ų | 115 | 109.9 Ų | 109.9 | 59% | 0.59 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.2 | -43.8 | 178.2 | -66 | 165.2 | 0 | 0 | 0 | 110.6 | R10 P11 R16 I17 S18 | R10-I14 WeakPolarHBondContact O-CG1 3.29Å; R10-I14 PolarHBondContact O-N 3.14Å; R10-I14 VanDerWaalsContact O-N 3.09Å; P11-I14 PolarHBondContact O-N 3.39Å; I14-R16 PolarHBondContact O-N 2.87Å; I14-I17 PolarHBondContact O-N 3.35Å; I14-S18 PolarHBondContact O-N 3.01Å; I14-S18 PolarHBondContact O-OG 3.47Å |
| 15 | Q | 79.5 | Confident | 72.9 | Confident | 144 Ų | 144 | 110.7 Ų | 110.7 | 67% | 0.673 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.5 | -42.3 | 175 | -79.9 | -110.2 | -15.9 | 0 | 0 | 112.6 | P11 S18 A19 | P11-Q15 WeakPolarHBondContact O-CB 3.13Å; P11-Q15 WeakPolarHBondContact O-CG 3.47Å; P11-Q15 PolarHBondContact O-N 3.05Å; Q15-S18 WeakPolarHBondContact CA-OG 3.32Å; Q15-S18 PolarHBondContact O-N 3.46Å; Q15-S18 PolarHBondContact O-OG 3.04Å; Q15-A19 WeakPolarHBondContact O-CB 3.42Å; Q15-A19 PolarHBondContact O-N 3.36Å |
| 16 | R | 78.9 | Confident | 73.6 | Confident | 169 Ų | 169 | 110.8 Ų | 110.8 | 64% | 0.638 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.2 | -40.7 | 176 | -75.9 | -176.8 | 173.3 | -169.4 | -1.3 | 112.2 | I12 H13 I14 A19 L20 | I12-R16 WeakPolarHBondContact O-CG 3.49Å; I12-R16 PolarHBondContact O-N 2.9Å; H13-R16 PolarHBondContact O-N 3.46Å; I14-R16 PolarHBondContact O-N 2.87Å; R16-A19 PolarHBondContact O-N 3.24Å; R16-L20 WeakPolarHBondContact O-CB 3.47Å; R16-L20 WeakPolarHBondContact O-CG 3.26Å; R16-L20 PolarHBondContact O-N 2.89Å |
| 17 | I | 82 | Confident | 74 | Confident | 91 Ų | 91 | 111.1 Ų | 111.1 | 47% | 0.467 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.2 | -40.4 | 177.8 | -67.6 | 164.4 | 0 | 0 | 0 | 110.7 | H13 I14 K21 | H13-I17 WeakPolarHBondContact O-CB 3.47Å; H13-I17 WeakPolarHBondContact O-CD1 3.46Å; H13-I17 VanDerWaalsContact O-CG1 3.22Å; H13-I17 WeakPolarHBondContact O-CG1 3.5Å; H13-I17 PolarHBondContact O-N 2.93Å; I14-I17 PolarHBondContact O-N 3.35Å; I17-K21 WeakPolarHBondContact O-CB 3.37Å; I17-K21 WeakPolarHBondContact O-CG 3.49Å; I17-K21 PolarHBondContact O-N 3.19Å |
| 18 | S | 81.9 | Confident | 74.3 | Confident | 63 Ų | 63 | 113.5 Ų | 113.5 | 44% | 0.441 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.5 | -41.8 | 177 | 64.1 | 0 | 0 | 0 | 0 | 111.9 | I14 Q15 K21 A22 | I14-S18 PolarHBondContact O-N 3.01Å; I14-S18 PolarHBondContact O-OG 3.47Å; Q15-S18 WeakPolarHBondContact CA-OG 3.32Å; Q15-S18 PolarHBondContact O-N 3.46Å; Q15-S18 PolarHBondContact O-OG 3.04Å; S18-K21 PolarHBondContact O-N 3.36Å; S18-A22 WeakPolarHBondContact O-CB 3.34Å; S18-A22 PolarHBondContact O-N 3.29Å |
| 19 | A | 81.5 | Confident | 74.3 | Confident | 48 Ų | 48 | 113.3 Ų | 113.3 | 40% | 0.397 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.9 | -44.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q15 R16 K21 A22 I23 | Q15-A19 WeakPolarHBondContact O-CB 3.42Å; Q15-A19 PolarHBondContact O-N 3.36Å; R16-A19 PolarHBondContact O-N 3.24Å; A19-K21 VanDerWaalsContact C-N 3.33Å; A19-K21 PolarHBondContact O-N 2.98Å; A19-A22 PolarHBondContact O-N 2.88Å; A19-I23 WeakPolarHBondContact O-CG1 3.12Å; A19-I23 PolarHBondContact O-N 3.36Å |
| 20 | L | 80.8 | Confident | 73.8 | Confident | 113 Ų | 113 | 114.1 Ų | 114.1 | 59% | 0.592 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.1 | -37.6 | 175.2 | -76 | 170.2 | 0 | 0 | 0 | 112.2 | R16 R24 | R16-L20 WeakPolarHBondContact O-CB 3.47Å; R16-L20 WeakPolarHBondContact O-CG 3.26Å; R16-L20 PolarHBondContact O-N 2.89Å; L20-R24 VanDerWaalsContact O-CB 3.22Å; L20-R24 WeakPolarHBondContact O-CB 2.87Å; L20-R24 PolarHBondContact O-N 3.15Å |
| 21 | K | 83.5 | Confident | 73.1 | Confident | 152 Ų | 152 | 110.8 Ų | 110.8 | 66% | 0.661 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.2 | -41.9 | 172.2 | -83.8 | -176.4 | -178.7 | 179.9 | 0 | 111.5 | I17 S18 A19 R24 Y25 | I17-K21 WeakPolarHBondContact O-CB 3.37Å; I17-K21 WeakPolarHBondContact O-CG 3.49Å; I17-K21 PolarHBondContact O-N 3.19Å; S18-K21 PolarHBondContact O-N 3.36Å; A19-K21 VanDerWaalsContact C-N 3.33Å; A19-K21 PolarHBondContact O-N 2.98Å; K21-R24 PolarHBondContact O-N 3.15Å; K21-Y25 VanDerWaalsContact O-CB 3.27Å; K21-Y25 WeakPolarHBondContact O-CB 3.03Å; K21-Y25 PolarHBondContact O-N 3.03Å |
| 22 | A | 80.3 | Confident | 72.2 | Confident | 45 Ų | 45 | 112 Ų | 112 | 37% | 0.372 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.3 | -48 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S18 A19 R24 Y25 F26 | S18-A22 WeakPolarHBondContact O-CB 3.34Å; S18-A22 PolarHBondContact O-N 3.29Å; A19-A22 PolarHBondContact O-N 2.88Å; A22-R24 VanDerWaalsContact C-N 3.33Å; A22-R24 PolarHBondContact O-N 3.01Å; A22-Y25 PolarHBondContact O-N 3.41Å; A22-Y25 VanDerWaalsContact O-N 3.17Å; A22-F26 WeakPolarHBondContact O-CB 3.36Å; A22-F26 WeakPolarHBondContact O-CD2 3.38Å; A22-F26 PolarHBondContact O-N 3.13Å |
| 23 | I | 77.3 | Confident | 71.1 | Confident | 112 Ų | 112 | 113.7 Ų | 113.7 | 57% | 0.574 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.5 | -42.9 | 175.8 | -66.2 | 165.5 | 0 | 0 | 0 | 110.8 | A19 Y25 F26 S27 | A19-I23 WeakPolarHBondContact O-CG1 3.12Å; A19-I23 PolarHBondContact O-N 3.36Å; I23-Y25 VanDerWaalsContact C-N 3.34Å; I23-F26 PolarHBondContact O-N 3.34Å; I23-S27 VanDerWaalsContact O-CB 3.27Å; I23-S27 WeakPolarHBondContact O-CB 3.15Å; I23-S27 PolarHBondContact O-N 3Å |
| 24 | R | 76.8 | Confident | 69.9 | Low | 179 Ų | 179 | 115.8 Ų | 115.8 | 68% | 0.675 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.2 | -35.8 | 177 | -170.8 | 179.2 | -69.9 | -179 | -2.6 | 112 | L20 K21 A22 K28 | L20-R24 VanDerWaalsContact O-CB 3.22Å; L20-R24 WeakPolarHBondContact O-CB 2.87Å; L20-R24 PolarHBondContact O-N 3.15Å; K21-R24 PolarHBondContact O-N 3.15Å; A22-R24 VanDerWaalsContact C-N 3.33Å; A22-R24 PolarHBondContact O-N 3.01Å; R24-K28 WeakPolarHBondContact O-CB 3.18Å; R24-K28 WeakPolarHBondContact O-CG 3.12Å; R24-K28 PolarHBondContact O-N 3.2Å |
| 25 | Y | 75.6 | Confident | 68.4 | Low | 162 Ų | 162 | 114.4 Ų | 114.4 | 64% | 0.635 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.9 | -47.7 | 174.4 | -164.8 | -92.5 | 0 | 0 | 0 | 110.2 | K21 A22 I23 S27 K28 T29 | K21-Y25 VanDerWaalsContact O-CB 3.27Å; K21-Y25 WeakPolarHBondContact O-CB 3.03Å; K21-Y25 PolarHBondContact O-N 3.03Å; A22-Y25 PolarHBondContact O-N 3.41Å; A22-Y25 VanDerWaalsContact O-N 3.17Å; I23-Y25 VanDerWaalsContact C-N 3.34Å; Y25-S27 VanDerWaalsContact C-N 3.34Å; Y25-S27 PolarHBondContact O-N 2.93Å; Y25-K28 CarbonylContact O-C 2.91Å; Y25-K28 WeakPolarHBondContact O-CB 3.21Å; Y25-K28 PolarHBondContact O-N 2.66Å; Y25-K28 VanDerWaalsContact O-N 3.08Å; Y25-T29 HydrophobicContact CD1-CG2 3.93Å; Y25-T29 HydrophobicContact CE1-CG2 3.68Å; Y25-T29 WeakPolarHBondContact O-CG2 3.23Å; Y25-T29 PolarHBondContact O-N 2.8Å; Y25-T29 PolarHBondContact O-OG1 3.49Å |
| 26 | F | 67.8 | Low | 67.1 | Low | 138 Ų | 138 | 115.5 Ų | 115.5 | 61% | 0.605 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.4 | -40.3 | 174.1 | -89.2 | -73.3 | 0 | 0 | 0 | 112.4 | A22 I23 K28 T29 T30 | A22-F26 WeakPolarHBondContact O-CB 3.36Å; A22-F26 WeakPolarHBondContact O-CD2 3.38Å; A22-F26 PolarHBondContact O-N 3.13Å; I23-F26 PolarHBondContact O-N 3.34Å; F26-K28 VanDerWaalsContact C-N 3.31Å; F26-K28 PolarHBondContact O-N 2.72Å; F26-T29 WeakPolarHBondContact CA-OG1 3.46Å; F26-T29 PolarHBondContact O-N 3.17Å; F26-T29 PolarHBondContact O-OG1 3.36Å; F26-T30 WeakPolarHBondContact O-CB 3.16Å; F26-T30 PolarHBondContact O-N 2.84Å; F26-T30 PolarHBondContact O-OG1 3.07Å |
| 27 | S | 64.6 | Low | 66.1 | Low | 78 Ų | 78 | 110.6 Ų | 110.6 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.7 | -30.8 | 174.7 | 169.5 | 0 | 0 | 0 | 0 | 112.7 | I23 Y25 | I23-S27 VanDerWaalsContact O-CB 3.27Å; I23-S27 WeakPolarHBondContact O-CB 3.15Å; I23-S27 PolarHBondContact O-N 3Å; Y25-S27 VanDerWaalsContact C-N 3.34Å; Y25-S27 PolarHBondContact O-N 2.93Å |
| 28 | K | 63.2 | Low | 65 | Low | 166 Ų | 166 | 110.9 Ų | 110.9 | 72% | 0.722 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -75.3 | -32.2 | 172.1 | -77.7 | -176.5 | 176.5 | -168.6 | 0 | 112.4 | R24 Y25 F26 | R24-K28 WeakPolarHBondContact O-CB 3.18Å; R24-K28 WeakPolarHBondContact O-CG 3.12Å; R24-K28 PolarHBondContact O-N 3.2Å; Y25-K28 CarbonylContact O-C 2.91Å; Y25-K28 WeakPolarHBondContact O-CB 3.21Å; Y25-K28 PolarHBondContact O-N 2.66Å; Y25-K28 VanDerWaalsContact O-N 3.08Å; F26-K28 VanDerWaalsContact C-N 3.31Å; F26-K28 PolarHBondContact O-N 2.72Å |
| 29 | T | 59.9 | Low | 64 | Low | 73 Ų | 73 | 112.1 Ų | 112.1 | 45% | 0.448 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -90.2 | -25.6 | -178.7 | 59 | 0 | 0 | 0 | 0 | 113.7 | Y25 F26 Q31 | Y25-T29 HydrophobicContact CD1-CG2 3.93Å; Y25-T29 HydrophobicContact CE1-CG2 3.68Å; Y25-T29 WeakPolarHBondContact O-CG2 3.23Å; Y25-T29 PolarHBondContact O-N 2.8Å; Y25-T29 PolarHBondContact O-OG1 3.49Å; F26-T29 WeakPolarHBondContact CA-OG1 3.46Å; F26-T29 PolarHBondContact O-N 3.17Å; F26-T29 PolarHBondContact O-OG1 3.36Å; T29-Q31 PolarHBondContact O-N 3.43Å |
| 30 | T | 50.4 | Low | 63.2 | Low | 91 Ų | 91 | 111.2 Ų | 111.2 | 56% | 0.558 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -74.2 | 79.8 | 165.1 | 34.9 | 0 | 0 | 0 | 0 | 108 | F26 P32 | F26-T30 WeakPolarHBondContact O-CB 3.16Å; F26-T30 PolarHBondContact O-N 2.84Å; F26-T30 PolarHBondContact O-OG1 3.07Å; T30-P32 WeakPolarHBondContact O-CD 3.48Å; T30-P32 WeakPolarHBondContact O-CG 3.36Å |
| 31 | Q | 49.6 | Very low | 62.7 | Low | 118 Ų | 118 | 112.5 Ų | 112.5 | 55% | 0.551 | 56% | 0.563 | S | S | * | * | trans | -50.2 | 102.7 | 170 | -69.8 | -175 | -32 | 0 | 0 | 110.6 | T29 R34 | T29-Q31 PolarHBondContact O-N 3.43Å; Q31-R34 HydrophobicContact CB-CB 4.3Å | ||
| 32 | P | 53.7 | Low | 62.1 | Low | 92 Ų | 92 | 111.5 Ų | 111.5 | 60% | 0.597 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -87.1 | -1.2 | 167.9 | 16.4 | 4.7 | 0 | 0 | 0 | 110.6 | T30 | T30-P32 WeakPolarHBondContact O-CD 3.48Å; T30-P32 WeakPolarHBondContact O-CG 3.36Å |
| 33 | L | 50.3 | Low | 61.8 | Low | 132 Ų | 132 | 111.7 Ų | 111.7 | 69% | 0.691 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -93.2 | -36.4 | -177.2 | -67.1 | 174.4 | 0 | 0 | 0 | 112.2 | V37 | L33-V37 WeakPolarHBondContact O-CB 2.96Å; L33-V37 WeakPolarHBondContact O-CG2 3.45Å; L33-V37 PolarHBondContact O-N 2.94Å |
| 34 | R | 50.5 | Low | 61.8 | Low | 150 Ų | 150 | 114 Ų | 114 | 57% | 0.566 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.5 | -44 | -173.9 | -143.9 | -173.6 | -167.6 | 176.7 | 4.4 | 112.1 | Q31 V37 E38 | Q31-R34 HydrophobicContact CB-CB 4.3Å; R34-V37 PolarHBondContact O-N 2.89Å; R34-E38 IonicContact NE-OE1 3.74Å; R34-E38 VanDerWaalsContact O-CB 3.32Å; R34-E38 WeakPolarHBondContact O-CB 3.3Å; R34-E38 VanDerWaalsContact O-CG 3.3Å; R34-E38 WeakPolarHBondContact O-CG 3.4Å; R34-E38 PolarHBondContact O-N 3.07Å |
| 35 | C | 48.4 | Very low | 61.9 | Low | 86 Ų | 86 | 107.6 Ų | 107.6 | 58% | 0.581 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.4 | -39 | 178.9 | -146 | 0 | 0 | 0 | 0 | 112.2 | E38 V39 | C35-E38 PolarHBondContact O-N 3.08Å; C35-V39 WeakPolarHBondContact O-CB 3.32Å; C35-V39 VanDerWaalsContact O-CG2 3.23Å; C35-V39 WeakPolarHBondContact O-CG2 3.47Å; C35-V39 PolarHBondContact O-N 3.38Å |
| 36 | K | 53 | Low | 62 | Low | 167 Ų | 167 | 105.2 Ų | 105.2 | 73% | 0.726 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.5 | -35.7 | 172.3 | -80 | -169.5 | 174.8 | -175.2 | 0 | 113 | G40 | K36-G40 WeakPolarHBondContact O-CA 3.12Å; K36-G40 PolarHBondContact O-N 3Å |
| 37 | V | 57.4 | Low | 62.6 | Low | 67 Ų | 67 | 103.5 Ų | 103.5 | 41% | 0.406 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.9 | -37.2 | 175.8 | 169.3 | 0 | 0 | 0 | 0 | 110.7 | L33 R34 K41 | L33-V37 WeakPolarHBondContact O-CB 2.96Å; L33-V37 WeakPolarHBondContact O-CG2 3.45Å; L33-V37 PolarHBondContact O-N 2.94Å; R34-V37 PolarHBondContact O-N 2.89Å; V37-K41 HydrophobicContact CG1-CD 3.84Å; V37-K41 VanDerWaalsContact CG1-CE 3.42Å; V37-K41 HydrophobicContact CG1-CG 4.31Å; V37-K41 WeakPolarHBondContact O-CB 3.31Å; V37-K41 WeakPolarHBondContact O-CD 3.39Å; V37-K41 WeakPolarHBondContact O-CG 3.29Å; V37-K41 PolarHBondContact O-N 3.16Å |
| 38 | E | 58.2 | Low | 63.3 | Low | 96 Ų | 96 | 104.6 Ų | 104.6 | 45% | 0.449 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.1 | -50.5 | 176.6 | -76.7 | 173.9 | -172.4 | 0 | 0 | 111.2 | R34 C35 G40 K41 E42 | R34-E38 IonicContact NE-OE1 3.74Å; R34-E38 VanDerWaalsContact O-CB 3.32Å; R34-E38 WeakPolarHBondContact O-CB 3.3Å; R34-E38 VanDerWaalsContact O-CG 3.3Å; R34-E38 WeakPolarHBondContact O-CG 3.4Å; R34-E38 PolarHBondContact O-N 3.07Å; C35-E38 PolarHBondContact O-N 3.08Å; E38-G40 VanDerWaalsContact C-N 3.27Å; E38-G40 PolarHBondContact O-N 3.07Å; E38-K41 PolarHBondContact O-N 3.22Å; E38-K41 VanDerWaalsContact O-N 3.09Å; E38-E42 WeakPolarHBondContact O-CG 3.36Å; E38-E42 PolarHBondContact O-N 3.36Å |
| 39 | V | 60.4 | Low | 64 | Low | 90 Ų | 90 | 103.1 Ų | 103.1 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 174 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | C35 A43 | C35-V39 WeakPolarHBondContact O-CB 3.32Å; C35-V39 VanDerWaalsContact O-CG2 3.23Å; C35-V39 WeakPolarHBondContact O-CG2 3.47Å; C35-V39 PolarHBondContact O-N 3.38Å; V39-A43 WeakPolarHBondContact O-CB 3.23Å; V39-A43 PolarHBondContact O-N 2.99Å |
| 40 | G | 66.4 | Low | 64.7 | Low | 29 Ų | 29 | 101.9 Ų | 101.9 | 30% | 0.299 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.3 | -35.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K36 E38 K44 | K36-G40 WeakPolarHBondContact O-CA 3.12Å; K36-G40 PolarHBondContact O-N 3Å; E38-G40 VanDerWaalsContact C-N 3.27Å; E38-G40 PolarHBondContact O-N 3.07Å; G40-K44 WeakPolarHBondContact O-CB 3.46Å; G40-K44 VanDerWaalsContact O-CG 3.22Å; G40-K44 WeakPolarHBondContact O-CG 3.26Å; G40-K44 PolarHBondContact O-N 3.48Å |
| 41 | K | 69.6 | Low | 65.9 | Low | 140 Ų | 140 | 99.8 Ų | 99.8 | 61% | 0.609 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -72.6 | -42.6 | 174.8 | -80.1 | 170.8 | 178.4 | -177.4 | 0 | 111.3 | V37 E38 K44 S45 | V37-K41 HydrophobicContact CG1-CD 3.84Å; V37-K41 VanDerWaalsContact CG1-CE 3.42Å; V37-K41 HydrophobicContact CG1-CG 4.31Å; V37-K41 WeakPolarHBondContact O-CB 3.31Å; V37-K41 WeakPolarHBondContact O-CD 3.39Å; V37-K41 WeakPolarHBondContact O-CG 3.29Å; V37-K41 PolarHBondContact O-N 3.16Å; E38-K41 PolarHBondContact O-N 3.22Å; E38-K41 VanDerWaalsContact O-N 3.09Å; K41-K44 PolarHBondContact O-N 3.39Å; K41-S45 VanDerWaalsContact O-CB 3.27Å; K41-S45 WeakPolarHBondContact O-CB 3.38Å; K41-S45 PolarHBondContact O-N 2.73Å; K41-S45 PolarHBondContact O-OG 3.3Å |
| 42 | E | 71.1 | Confident | 66.8 | Low | 130 Ų | 130 | 101.2 Ų | 101.2 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.1 | -48.8 | 176.5 | -72.3 | -166.3 | 172.4 | 0 | 0 | 110.7 | E38 K44 S45 L46 | E38-E42 WeakPolarHBondContact O-CG 3.36Å; E38-E42 PolarHBondContact O-N 3.36Å; E42-K44 PolarHBondContact O-N 2.89Å; E42-S45 PolarHBondContact O-N 3.35Å; E42-S45 VanDerWaalsContact O-N 3.12Å; E42-S45 PolarHBondContact O-OG 2.81Å; E42-L46 WeakPolarHBondContact O-CG 3.31Å; E42-L46 PolarHBondContact O-N 3.12Å |
| 43 | A | 74 | Confident | 67.4 | Low | 50 Ų | 50 | 104.5 Ų | 104.5 | 41% | 0.413 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V39 S45 L46 V47 | V39-A43 WeakPolarHBondContact O-CB 3.23Å; V39-A43 PolarHBondContact O-N 2.99Å; A43-S45 VanDerWaalsContact C-N 3.33Å; A43-S45 PolarHBondContact O-N 3.33Å; A43-L46 PolarHBondContact O-N 3.1Å; A43-V47 WeakPolarHBondContact O-CB 3.19Å; A43-V47 VanDerWaalsContact O-CG2 3.28Å; A43-V47 WeakPolarHBondContact O-CG2 3.48Å; A43-V47 PolarHBondContact O-N 2.92Å |
| 44 | K | 75.9 | Confident | 68.2 | Low | 160 Ų | 160 | 105.1 Ų | 105.1 | 70% | 0.696 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.5 | -41.6 | 173.6 | -80.8 | -176.8 | 177.1 | -168.2 | 0 | 112 | G40 K41 E42 L46 V47 E48 | G40-K44 WeakPolarHBondContact O-CB 3.46Å; G40-K44 VanDerWaalsContact O-CG 3.22Å; G40-K44 WeakPolarHBondContact O-CG 3.26Å; G40-K44 PolarHBondContact O-N 3.48Å; K41-K44 PolarHBondContact O-N 3.39Å; E42-K44 PolarHBondContact O-N 2.89Å; K44-L46 PolarHBondContact O-N 2.97Å; K44-V47 PolarHBondContact O-N 3.35Å; K44-E48 VanDerWaalsContact O-CB 3.24Å; K44-E48 WeakPolarHBondContact O-CB 3.26Å; K44-E48 PolarHBondContact O-N 2.71Å |
| 45 | S | 80 | Confident | 68.9 | Low | 45 Ų | 45 | 101.9 Ų | 101.9 | 32% | 0.315 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.4 | -33.9 | 179.7 | 79.3 | 0 | 0 | 0 | 0 | 112.8 | K41 E42 A43 K49 | K41-S45 VanDerWaalsContact O-CB 3.27Å; K41-S45 WeakPolarHBondContact O-CB 3.38Å; K41-S45 PolarHBondContact O-N 2.73Å; K41-S45 PolarHBondContact O-OG 3.3Å; E42-S45 PolarHBondContact O-N 3.35Å; E42-S45 VanDerWaalsContact O-N 3.12Å; E42-S45 PolarHBondContact O-OG 2.81Å; A43-S45 VanDerWaalsContact C-N 3.33Å; A43-S45 PolarHBondContact O-N 3.33Å; S45-K49 VanDerWaalsContact O-CB 3.26Å; S45-K49 WeakPolarHBondContact O-CB 3.3Å; S45-K49 WeakPolarHBondContact O-CG 3.36Å; S45-K49 PolarHBondContact O-N 2.87Å |
| 46 | L | 77.2 | Confident | 69.6 | Low | 112 Ų | 112 | 101.8 Ų | 101.8 | 59% | 0.586 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -72 | -43 | 175.8 | -72.1 | 173.6 | 0 | 0 | 0 | 111 | E42 A43 K44 K49 A50 | E42-L46 WeakPolarHBondContact O-CG 3.31Å; E42-L46 PolarHBondContact O-N 3.12Å; A43-L46 PolarHBondContact O-N 3.1Å; K44-L46 PolarHBondContact O-N 2.97Å; L46-K49 PolarHBondContact O-N 3.46Å; L46-A50 WeakPolarHBondContact O-CB 3.41Å; L46-A50 PolarHBondContact O-N 2.74Å |
| 47 | V | 80.4 | Confident | 70.1 | Confident | 101 Ų | 101 | 102.5 Ų | 102.5 | 61% | 0.612 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.7 | -42.3 | 175.1 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | A43 K44 A50 A51 | A43-V47 WeakPolarHBondContact O-CB 3.19Å; A43-V47 VanDerWaalsContact O-CG2 3.28Å; A43-V47 WeakPolarHBondContact O-CG2 3.48Å; A43-V47 PolarHBondContact O-N 2.92Å; K44-V47 PolarHBondContact O-N 3.35Å; V47-A50 PolarHBondContact O-N 2.75Å; V47-A51 VanDerWaalsContact O-CB 3.32Å; V47-A51 WeakPolarHBondContact O-CB 3.3Å; V47-A51 PolarHBondContact O-N 2.81Å |
| 48 | E | 80 | Confident | 70 | Confident | 101 Ų | 101 | 100.4 Ų | 100.4 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 176.8 | -167.6 | -177.4 | 163.5 | 0 | 0 | 111.6 | K44 A50 A51 R52 | K44-E48 VanDerWaalsContact O-CB 3.24Å; K44-E48 WeakPolarHBondContact O-CB 3.26Å; K44-E48 PolarHBondContact O-N 2.71Å; E48-A50 VanDerWaalsContact C-N 3.33Å; E48-A50 PolarHBondContact O-N 3.27Å; E48-A51 PolarHBondContact O-N 3.06Å; E48-R52 WeakPolarHBondContact O-CB 3.42Å; E48-R52 VanDerWaalsContact O-CG 3.3Å; E48-R52 WeakPolarHBondContact O-CG 3.35Å; E48-R52 PolarHBondContact O-N 3.24Å; E48-R52 IonicContact OE1-CZ 3.47Å; E48-R52 IonicContact OE1-NE 3.43Å; E48-R52 PolarHBondContact OE1-NE 2.86Å; E48-R52 IonicContact OE1-NH2 2.73Å; E48-R52 PolarHBondContact OE1-NH2 3.18Å |
| 49 | K | 77.1 | Confident | 69.8 | Low | 135 Ų | 135 | 98.9 Ų | 98.9 | 59% | 0.587 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.7 | -37.4 | 172.2 | -79.3 | 174.4 | -179 | 177.5 | 0 | 112.2 | S45 L46 K53 | S45-K49 VanDerWaalsContact O-CB 3.26Å; S45-K49 WeakPolarHBondContact O-CB 3.3Å; S45-K49 WeakPolarHBondContact O-CG 3.36Å; S45-K49 PolarHBondContact O-N 2.87Å; L46-K49 PolarHBondContact O-N 3.46Å; K49-K53 WeakPolarHBondContact O-CG 3.38Å; K49-K53 PolarHBondContact O-N 3.08Å; K49-K53 VanDerWaalsContact O-N 3.15Å |
| 50 | A | 75.6 | Confident | 69.5 | Low | 48 Ų | 48 | 100.2 Ų | 100.2 | 40% | 0.397 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.7 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L46 V47 E48 K53 L54 | L46-A50 WeakPolarHBondContact O-CB 3.41Å; L46-A50 PolarHBondContact O-N 2.74Å; V47-A50 PolarHBondContact O-N 2.75Å; E48-A50 VanDerWaalsContact C-N 3.33Å; E48-A50 PolarHBondContact O-N 3.27Å; A50-K53 PolarHBondContact O-N 2.69Å; A50-K53 VanDerWaalsContact O-N 3.15Å; A50-L54 PolarHBondContact O-N 3.04Å; A50-L54 VanDerWaalsContact O-N 3.07Å |
| 51 | A | 74.3 | Confident | 68.8 | Low | 46 Ų | 46 | 104.5 Ų | 104.5 | 38% | 0.38 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60 | -47.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V47 E48 K53 L54 D55 | V47-A51 VanDerWaalsContact O-CB 3.32Å; V47-A51 WeakPolarHBondContact O-CB 3.3Å; V47-A51 PolarHBondContact O-N 2.81Å; E48-A51 PolarHBondContact O-N 3.06Å; A51-K53 VanDerWaalsContact C-N 3.25Å; A51-K53 PolarHBondContact O-N 3.22Å; A51-L54 CarbonylContact O-C 3.09Å; A51-L54 PolarHBondContact O-N 3.38Å; A51-D55 PolarHBondContact O-N 2.76Å |
| 52 | R | 69 | Low | 67.9 | Low | 148 Ų | 148 | 102.2 Ų | 102.2 | 56% | 0.558 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.9 | -28.3 | 174.8 | -72.4 | -177.2 | -169.5 | -155 | 5.2 | 113.8 | E48 S58 | E48-R52 WeakPolarHBondContact O-CB 3.42Å; E48-R52 VanDerWaalsContact O-CG 3.3Å; E48-R52 WeakPolarHBondContact O-CG 3.35Å; E48-R52 PolarHBondContact O-N 3.24Å; E48-R52 IonicContact OE1-CZ 3.47Å; E48-R52 IonicContact OE1-NE 3.43Å; E48-R52 PolarHBondContact OE1-NE 2.86Å; E48-R52 IonicContact OE1-NH2 2.73Å; E48-R52 PolarHBondContact OE1-NH2 3.18Å; R52-S58 PolarHBondContact O-OG 3.08Å |
| 53 | K | 67.3 | Low | 66.6 | Low | 162 Ų | 162 | 102.9 Ų | 102.9 | 70% | 0.704 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -77.5 | -26 | 175 | -79.5 | -178 | 178.2 | -170.4 | 0 | 112.9 | K49 A50 A51 Q61 | K49-K53 WeakPolarHBondContact O-CG 3.38Å; K49-K53 PolarHBondContact O-N 3.08Å; K49-K53 VanDerWaalsContact O-N 3.15Å; A50-K53 PolarHBondContact O-N 2.69Å; A50-K53 VanDerWaalsContact O-N 3.15Å; A51-K53 VanDerWaalsContact C-N 3.25Å; A51-K53 PolarHBondContact O-N 3.22Å; K53-Q61 PolarHBondContact O-NE2 3.35Å |
| 54 | L | 66.7 | Low | 65.7 | Low | 144 Ų | 144 | 104.8 Ų | 104.8 | 75% | 0.754 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -96.9 | -16.4 | -177.6 | -105.2 | 134.4 | 0 | 0 | 0 | 113.5 | A50 A51 P56 | A50-L54 PolarHBondContact O-N 3.04Å; A50-L54 VanDerWaalsContact O-N 3.07Å; A51-L54 CarbonylContact O-C 3.09Å; A51-L54 PolarHBondContact O-N 3.38Å; L54-P56 WeakPolarHBondContact O-CD 3.3Å |
| 55 | D | 65.4 | Low | 64.6 | Low | 83 Ų | 83 | 102.6 Ų | 102.6 | 44% | 0.444 | 55% | 0.551 | S | S | . | * | trans | -69.2 | 108.1 | 176 | -83.2 | -29 | 0 | 0 | 0 | 110.1 | A51 F57 S58 | A51-D55 PolarHBondContact O-N 2.76Å; D55-F57 PolarHBondContact O-N 2.79Å; D55-F57 VanDerWaalsContact O-N 3.09Å; D55-S58 PolarHBondContact O-N 2.73Å; D55-S58 PolarHBondContact O-OG 3.01Å | ||
| 56 | P | 62 | Low | 63.1 | Low | 84 Ų | 84 | 103.4 Ų | 103.4 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.4 | -10.8 | -178.9 | 30 | -35.2 | 0 | 0 | 0 | 112.8 | L54 | L54-P56 WeakPolarHBondContact O-CD 3.3Š|
| 57 | F | 63.6 | Low | 61.8 | Low | 182 Ų | 182 | 104.9 Ų | 104.9 | 80% | 0.798 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -4.8 | 176.7 | -58.3 | -73.1 | 0 | 0 | 0 | 112.8 | D55 A59 N62 | D55-F57 PolarHBondContact O-N 2.79Å; D55-F57 VanDerWaalsContact O-N 3.09Å; F57-A59 PolarHBondContact O-N 3.41Å; F57-N62 PolarHBondContact O-ND2 3.45Å |
| 58 | S | 56.1 | Low | 60.4 | Low | 22 Ų | 22 | 105.9 Ų | 105.9 | 15% | 0.154 | 57% | 0.565 | C | S | . | * | trans | -68.4 | 124 | 177.6 | 69.8 | 0 | 0 | 0 | 0 | 109.2 | R52 D55 V60 Q61 | R52-S58 PolarHBondContact O-OG 3.08Å; D55-S58 PolarHBondContact O-N 2.73Å; D55-S58 PolarHBondContact O-OG 3.01Å; S58-V60 PolarHBondContact O-N 3.34Å; S58-Q61 PolarHBondContact O-N 2.8Å; S58-Q61 VanDerWaalsContact O-N 3.09Å | ||
| 59 | A | 53.8 | Low | 59.1 | Low | 65 Ų | 65 | 105 Ų | 105 | 54% | 0.537 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.4 | -14.4 | -170 | 0 | 0 | 0 | 0 | 0 | 114.5 | F57 N62 E63 | F57-A59 PolarHBondContact O-N 3.41Å; A59-N62 CarbonylContact O-C 3.58Å; A59-N62 WeakPolarHBondContact O-CA 3.43Å; A59-N62 PolarHBondContact O-N 3.49Å; A59-E63 PolarHBondContact O-N 3.47Å |
| 60 | V | 55.2 | Low | 57.8 | Low | 118 Ų | 118 | 107.2 Ų | 107.2 | 72% | 0.715 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -31.3 | 178.4 | 177.5 | 0 | 0 | 0 | 0 | 112.4 | S58 N62 | S58-V60 PolarHBondContact O-N 3.34Å; V60-N62 VanDerWaalsContact C-N 3.31Å |
| 61 | Q | 50.5 | Low | 56.7 | Low | 119 Ų | 119 | 109.5 Ų | 109.5 | 56% | 0.556 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -22.4 | 166 | -78.9 | -176 | -13.8 | 0 | 0 | 111.8 | K53 S58 E63 | K53-Q61 PolarHBondContact O-NE2 3.35Å; S58-Q61 PolarHBondContact O-N 2.8Å; S58-Q61 VanDerWaalsContact O-N 3.09Å; Q61-E63 VanDerWaalsContact C-N 3.33Å |
| 62 | N | 50.5 | Low | 55.7 | Low | 92 Ų | 92 | 111.8 Ų | 111.8 | 49% | 0.492 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.9 | 16.6 | 178.4 | -46.9 | -27.2 | 0 | 0 | 0 | 113.1 | F57 A59 V60 P64 | F57-N62 PolarHBondContact O-ND2 3.45Å; A59-N62 CarbonylContact O-C 3.58Å; A59-N62 WeakPolarHBondContact O-CA 3.43Å; A59-N62 PolarHBondContact O-N 3.49Å; V60-N62 VanDerWaalsContact C-N 3.31Å; N62-P64 WeakPolarHBondContact O-CD 3.32Å |
| 63 | E | 44.8 | Very low | 54.8 | Low | 143 Ų | 143 | 107.4 Ų | 107.4 | 67% | 0.668 | 59% | 0.591 | S | S | * | * | trans | -96.4 | 68.5 | 160.1 | -72.9 | -168.2 | -172.3 | 0 | 0 | 110.1 | A59 Q61 T65 | A59-E63 PolarHBondContact O-N 3.47Å; Q61-E63 VanDerWaalsContact C-N 3.33Å; E63-T65 PolarHBondContact O-N 2.84Å | ||
| 64 | P | 53.8 | Low | 54.1 | Low | 91 Ų | 91 | 109 Ų | 109 | 59% | 0.591 | 60% | 0.598 | S | S | * | * | trans | -84.2 | 54.7 | 178.9 | 39.1 | -38.7 | 0 | 0 | 0 | 110.1 | N62 | N62-P64 WeakPolarHBondContact O-CD 3.32Š| ||
| 65 | T | 52.6 | Low | 53.5 | Low | 114 Ų | 114 | 107.8 Ų | 107.8 | 70% | 0.699 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -151.6 | -25.5 | -179.8 | 38.8 | 0 | 0 | 0 | 0 | 119.1 | E63 | E63-T65 PolarHBondContact O-N 2.84Š|
| 66 | A | 49.8 | Very low | 53.2 | Low | 62 Ų | 62 | 104.9 Ų | 104.9 | 51% | 0.512 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.6 | -46.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | F68 S69 | A66-F68 PolarHBondContact O-N 3.3Å; A66-S69 PolarHBondContact O-OG 3.4Å |
| 67 | N | 49.9 | Very low | 53.2 | Low | 142 Ų | 142 | 107.9 Ų | 107.9 | 76% | 0.759 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -6.8 | -175.8 | -65.7 | -28.9 | 0 | 0 | 0 | 114.2 | S69 H71 | N67-S69 VanDerWaalsContact C-N 3.34Å; N67-H71 PolarHBondContact O-ND1 2.88Å |
| 68 | F | 49.9 | Very low | 53.6 | Low | 123 Ų | 123 | 104.6 Ų | 104.6 | 54% | 0.539 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.1 | -26.1 | 171.2 | -92.1 | -87.9 | 0 | 0 | 0 | 113 | A66 H70 H71 L72 | A66-F68 PolarHBondContact O-N 3.3Å; F68-H70 VanDerWaalsContact C-N 3.34Å; F68-H70 PolarHBondContact O-N 2.95Å; F68-H71 WeakPolarHBondContact CA-CE1 3.26Å; F68-H71 AromaticContact CD1-CE1 3.17Å; F68-H71 WeakPolarHBondContact CD1-CE1 3.37Å; F68-H71 AromaticContact CD1-NE2 3.02Å; F68-H71 WeakPolarHBondContact CD1-NE2 3.21Å; F68-H71 AromaticContact CE1-CE1 3.54Å; F68-H71 AromaticContact CE1-NE2 3.2Å; F68-H71 WeakPolarHBondContact CE1-NE2 3.49Å; F68-H71 AromaticContact CG-CE1 3.49Å; F68-H71 VanDerWaalsContact CG-CE1 3.49Å; F68-H71 WeakPolarHBondContact CG-CE1 3.35Å; F68-H71 AromaticContact CG-NE2 3.84Å; F68-L72 HydrophobicContact CB-CD1 4.15Å; F68-L72 HydrophobicContact CD1-CD1 3.63Å; F68-L72 HydrophobicContact CG-CD1 4.39Å; F68-L72 WeakPolarHBondContact O-CD1 3.36Å; F68-L72 PolarHBondContact O-N 3.48Å |
| 69 | S | 52.6 | Low | 54.6 | Low | 82 Ų | 82 | 108 Ų | 108 | 57% | 0.573 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.6 | -38.4 | -179.6 | 63.9 | 0 | 0 | 0 | 0 | 113.5 | A66 N67 | A66-S69 PolarHBondContact O-OG 3.4Å; N67-S69 VanDerWaalsContact C-N 3.34Å |
| 70 | H | 50.2 | Low | 56 | Low | 181 Ų | 181 | 112 Ų | 112 | 84% | 0.838 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -82.7 | -16.9 | -171.3 | -131.4 | -82.3 | 0 | 0 | 0 | 114.5 | F68 | F68-H70 VanDerWaalsContact C-N 3.34Å; F68-H70 PolarHBondContact O-N 2.95Å |
| 71 | H | 53.3 | Low | 57.5 | Low | 96 Ų | 96 | 110.5 Ų | 110.5 | 44% | 0.444 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -105.3 | -16.4 | 176 | 69.5 | -99.2 | 0 | 0 | 0 | 113.8 | N67 F68 G73 | N67-H71 PolarHBondContact O-ND1 2.88Å; F68-H71 WeakPolarHBondContact CA-CE1 3.26Å; F68-H71 AromaticContact CD1-CE1 3.17Å; F68-H71 WeakPolarHBondContact CD1-CE1 3.37Å; F68-H71 AromaticContact CD1-NE2 3.02Å; F68-H71 WeakPolarHBondContact CD1-NE2 3.21Å; F68-H71 AromaticContact CE1-CE1 3.54Å; F68-H71 AromaticContact CE1-NE2 3.2Å; F68-H71 WeakPolarHBondContact CE1-NE2 3.49Å; F68-H71 AromaticContact CG-CE1 3.49Å; F68-H71 VanDerWaalsContact CG-CE1 3.49Å; F68-H71 WeakPolarHBondContact CG-CE1 3.35Å; F68-H71 AromaticContact CG-NE2 3.84Å; H71-G73 VanDerWaalsContact C-N 3.31Å |
| 72 | L | 51.8 | Low | 59.3 | Low | 94 Ų | 94 | 110 Ų | 110 | 49% | 0.492 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -75.9 | -15.5 | 167.9 | -92.8 | 90.9 | 0 | 0 | 0 | 113.6 | F68 F74 G76 | F68-L72 HydrophobicContact CB-CD1 4.15Å; F68-L72 HydrophobicContact CD1-CD1 3.63Å; F68-L72 HydrophobicContact CG-CD1 4.39Å; F68-L72 WeakPolarHBondContact O-CD1 3.36Å; F68-L72 PolarHBondContact O-N 3.48Å; L72-F74 VanDerWaalsContact C-N 3.34Å; L72-F74 PolarHBondContact O-N 2.92Å; L72-G76 WeakPolarHBondContact O-CA 3.25Å; L72-G76 PolarHBondContact O-N 3.1Å |
| 73 | G | 51.7 | Low | 61.1 | Low | 57 Ų | 57 | 109.9 Ų | 109.9 | 59% | 0.588 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64 | -35.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | H71 | H71-G73 VanDerWaalsContact C-N 3.31Å |
| 74 | F | 52.3 | Low | 63.3 | Low | 194 Ų | 194 | 104.9 Ų | 104.9 | 85% | 0.851 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -104.5 | -27.7 | -177.5 | -150.2 | -99.8 | 0 | 0 | 0 | 113.2 | L72 | L72-F74 VanDerWaalsContact C-N 3.34Å; L72-F74 PolarHBondContact O-N 2.92Å |
| 75 | H | 54.1 | Low | 65.2 | Low | 119 Ų | 119 | 105.9 Ų | 105.9 | 55% | 0.551 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -93.7 | -7.8 | 173.9 | -111.9 | -6.9 | 0 | 0 | 0 | 114.1 | F77 E78 | H75-F77 PolarHBondContact O-N 3.38Å; H75-F77 VanDerWaalsContact O-N 3.11Å; H75-E78 VanDerWaalsContact CE1-CD 3.41Å; H75-E78 IonicContact CE1-OE1 3.07Å; H75-E78 PolarHBondContact CE1-OE1 2.91Å; H75-E78 IonicContact CE1-OE2 3.73Å; H75-E78 VanDerWaalsContact ND1-CD 3.34Å; H75-E78 IonicContact ND1-OE1 3.93Å; H75-E78 PolarHBondContact ND1-OE1 2.92Å; H75-E78 VanDerWaalsContact ND1-OE1 3.07Å; H75-E78 IonicContact ND1-OE2 2.88Å; H75-E78 IonicContact NE2-OE1 3.45Å; H75-E78 WeakPolarHBondContact O-CB 3.09Å; H75-E78 PolarHBondContact O-N 3.42Å |
| 76 | G | 59.2 | Low | 67.2 | Low | 23 Ų | 23 | 105 Ų | 105 | 24% | 0.237 | 56% | 0.555 | C | S | . | * | G | 310 helix | trans | -62.5 | -17.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L72 E78 L79 | L72-G76 WeakPolarHBondContact O-CA 3.25Å; L72-G76 PolarHBondContact O-N 3.1Å; G76-E78 VanDerWaalsContact C-N 3.25Å; G76-E78 PolarHBondContact O-N 3.38Å; G76-L79 PolarHBondContact O-N 3.28Å |
| 77 | F | 62.6 | Low | 69.4 | Low | 146 Ų | 146 | 107 Ų | 107 | 64% | 0.64 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -69.6 | -19.6 | 173.7 | -73.5 | -73.3 | 0 | 0 | 0 | 114 | H75 L79 Y80 P81 | H75-F77 PolarHBondContact O-N 3.38Å; H75-F77 VanDerWaalsContact O-N 3.11Å; F77-L79 VanDerWaalsContact C-N 3.27Å; F77-L79 PolarHBondContact O-N 3.5Å; F77-Y80 AromaticContact CD1-CD2 3.91Å; F77-Y80 HydrophobicContact CD1-CD2 3.91Å; F77-Y80 AromaticContact CD1-CE2 3.93Å; F77-Y80 HydrophobicContact CD1-CE2 3.93Å; F77-Y80 HydrophobicContact CE1-CE2 4.22Å; F77-P81 WeakPolarHBondContact O-CD 3.15Å |
| 78 | E | 71.5 | Confident | 71.6 | Confident | 113 Ų | 113 | 102.3 Ų | 102.3 | 53% | 0.528 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -75.4 | -17.3 | 176.2 | -64.1 | -173.2 | 175.3 | 0 | 0 | 112.9 | H75 G76 P81 | H75-E78 VanDerWaalsContact CE1-CD 3.41Å; H75-E78 IonicContact CE1-OE1 3.07Å; H75-E78 PolarHBondContact CE1-OE1 2.91Å; H75-E78 IonicContact CE1-OE2 3.73Å; H75-E78 VanDerWaalsContact ND1-CD 3.34Å; H75-E78 IonicContact ND1-OE1 3.93Å; H75-E78 PolarHBondContact ND1-OE1 2.92Å; H75-E78 VanDerWaalsContact ND1-OE1 3.07Å; H75-E78 IonicContact ND1-OE2 2.88Å; H75-E78 IonicContact NE2-OE1 3.45Å; H75-E78 WeakPolarHBondContact O-CB 3.09Å; H75-E78 PolarHBondContact O-N 3.42Å; G76-E78 VanDerWaalsContact C-N 3.25Å; G76-E78 PolarHBondContact O-N 3.38Å; E78-P81 VanDerWaalsContact O-CD 3.25Å; E78-P81 WeakPolarHBondContact O-CD 3.2Å; E78-P81 WeakPolarHBondContact O-CG 3.47Å |
| 79 | L | 77.3 | Confident | 73.8 | Confident | 93 Ų | 93 | 103.3 Ų | 103.3 | 49% | 0.487 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -75.8 | -33.6 | 177.2 | -169.6 | 63.5 | 0 | 0 | 0 | 112.1 | G76 F77 I82 Q83 | G76-L79 PolarHBondContact O-N 3.28Å; F77-L79 VanDerWaalsContact C-N 3.27Å; F77-L79 PolarHBondContact O-N 3.5Å; L79-I82 PolarHBondContact O-N 3.31Å; L79-Q83 HydrophobicContact CD1-CG 4.42Å; L79-Q83 HydrophobicContact CG-CG 4.05Å; L79-Q83 WeakPolarHBondContact O-CB 3.49Å; L79-Q83 WeakPolarHBondContact O-CG 3.17Å; L79-Q83 PolarHBondContact O-N 3.39Å |
| 80 | Y | 82.2 | Confident | 75.9 | Confident | 151 Ų | 151 | 101.7 Ų | 101.7 | 59% | 0.592 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -57.8 | -46.3 | 178.8 | -69.5 | -67.1 | 0 | 0 | 0 | 114.5 | F77 I82 Q83 G84 | F77-Y80 AromaticContact CD1-CD2 3.91Å; F77-Y80 HydrophobicContact CD1-CD2 3.91Å; F77-Y80 AromaticContact CD1-CE2 3.93Å; F77-Y80 HydrophobicContact CD1-CE2 3.93Å; F77-Y80 HydrophobicContact CE1-CE2 4.22Å; Y80-I82 VanDerWaalsContact C-N 3.3Å; Y80-I82 PolarHBondContact O-N 3.04Å; Y80-Q83 PolarHBondContact O-N 2.86Å; Y80-G84 PolarHBondContact O-N 3.43Å |
| 81 | P | 87.2 | Confident | 78.1 | Confident | 85 Ų | 85 | 97.8 Ų | 97.8 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65 | -35.8 | 177.3 | 24.2 | -34 | 0 | 0 | 0 | 112 | F77 E78 G84 Q85 | F77-P81 WeakPolarHBondContact O-CD 3.15Å; E78-P81 VanDerWaalsContact O-CD 3.25Å; E78-P81 WeakPolarHBondContact O-CD 3.2Å; E78-P81 WeakPolarHBondContact O-CG 3.47Å; P81-G84 PolarHBondContact O-N 2.86Å; P81-Q85 VanDerWaalsContact O-CB 3.3Å; P81-Q85 WeakPolarHBondContact O-CB 3.38Å; P81-Q85 PolarHBondContact O-N 2.99Å |
| 82 | I | 87.8 | Confident | 80.1 | Confident | 108 Ų | 108 | 96.3 Ų | 96.3 | 55% | 0.554 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.9 | -45.7 | 176.5 | -61.1 | 173.9 | 0 | 0 | 0 | 110.3 | L79 Y80 Q85 V86 | L79-I82 PolarHBondContact O-N 3.31Å; Y80-I82 VanDerWaalsContact C-N 3.3Å; Y80-I82 PolarHBondContact O-N 3.04Å; I82-Q85 PolarHBondContact O-N 2.97Å; I82-V86 WeakPolarHBondContact O-CG2 3.02Å; I82-V86 PolarHBondContact O-N 3.24Å |
| 83 | Q | 87.9 | Confident | 82.2 | Confident | 90 Ų | 90 | 96.6 Ų | 96.6 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 176.1 | -73.9 | 177.5 | -17.9 | 0 | 0 | 111.8 | L79 Y80 Q85 V86 I87 | L79-Q83 HydrophobicContact CD1-CG 4.42Å; L79-Q83 HydrophobicContact CG-CG 4.05Å; L79-Q83 WeakPolarHBondContact O-CB 3.49Å; L79-Q83 WeakPolarHBondContact O-CG 3.17Å; L79-Q83 PolarHBondContact O-N 3.39Å; Y80-Q83 PolarHBondContact O-N 2.86Å; Q83-Q85 VanDerWaalsContact C-N 3.31Å; Q83-Q85 PolarHBondContact O-N 2.97Å; Q83-V86 PolarHBondContact O-N 3.47Å; Q83-I87 WeakPolarHBondContact O-CD1 3.49Å; Q83-I87 VanDerWaalsContact O-CG1 3.26Å; Q83-I87 WeakPolarHBondContact O-CG1 3.15Å; Q83-I87 PolarHBondContact O-N 3.42Å |
| 84 | G | 92.7 | Very high | 84.2 | Confident | 38 Ų | 38 | 98.7 Ų | 98.7 | 39% | 0.392 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.1 | -42.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y80 P81 I87 A88 | Y80-G84 PolarHBondContact O-N 3.43Å; P81-G84 PolarHBondContact O-N 2.86Å; G84-I87 PolarHBondContact O-N 3.45Å; G84-A88 VanDerWaalsContact O-CB 3.32Å; G84-A88 WeakPolarHBondContact O-CB 3.13Å; G84-A88 PolarHBondContact O-N 3.29Å |
| 85 | Q | 92.2 | Very high | 86.2 | Confident | 113 Ų | 113 | 93.9 Ų | 93.9 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 176.9 | -174.1 | 67.8 | 0.1 | 0 | 0 | 112.4 | P81 I82 Q83 A88 W89 | P81-Q85 VanDerWaalsContact O-CB 3.3Å; P81-Q85 WeakPolarHBondContact O-CB 3.38Å; P81-Q85 PolarHBondContact O-N 2.99Å; I82-Q85 PolarHBondContact O-N 2.97Å; Q83-Q85 VanDerWaalsContact C-N 3.31Å; Q83-Q85 PolarHBondContact O-N 2.97Å; Q85-A88 PolarHBondContact O-N 3.42Å; Q85-W89 PolarHBondContact O-N 3Å |
| 86 | V | 95.4 | Very high | 88.1 | Confident | 96 Ų | 96 | 93 Ų | 93 | 58% | 0.582 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.7 | -42.7 | 176.4 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | I82 Q83 W89 A90 | I82-V86 WeakPolarHBondContact O-CG2 3.02Å; I82-V86 PolarHBondContact O-N 3.24Å; Q83-V86 PolarHBondContact O-N 3.47Å; V86-W89 PolarHBondContact O-N 3.24Å; V86-A90 WeakPolarHBondContact O-CB 2.9Å; V86-A90 PolarHBondContact O-N 2.85Å |
| 87 | I | 95.3 | Very high | 89.6 | Confident | 103 Ų | 103 | 94.6 Ų | 94.6 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 177.1 | -66.2 | 164.2 | 0 | 0 | 0 | 110.6 | Q83 G84 W89 A90 I91 | Q83-I87 WeakPolarHBondContact O-CD1 3.49Å; Q83-I87 VanDerWaalsContact O-CG1 3.26Å; Q83-I87 WeakPolarHBondContact O-CG1 3.15Å; Q83-I87 PolarHBondContact O-N 3.42Å; G84-I87 PolarHBondContact O-N 3.45Å; I87-W89 PolarHBondContact O-N 2.92Å; I87-A90 PolarHBondContact O-N 3.28Å; I87-I91 HydrophobicContact CG2-CD1 4.06Å; I87-I91 WeakPolarHBondContact O-CG1 3.32Å; I87-I91 PolarHBondContact O-N 3Å |
| 88 | A | 95.8 | Very high | 90.9 | Very high | 44 Ų | 44 | 95.2 Ų | 95.2 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G84 Q85 I91 V92 | G84-A88 VanDerWaalsContact O-CB 3.32Å; G84-A88 WeakPolarHBondContact O-CB 3.13Å; G84-A88 PolarHBondContact O-N 3.29Å; Q85-A88 PolarHBondContact O-N 3.42Å; A88-I91 PolarHBondContact O-N 3.38Å; A88-V92 WeakPolarHBondContact O-CG2 3.33Å; A88-V92 PolarHBondContact O-N 3.43Å |
| 89 | W | 96.5 | Very high | 91.5 | Very high | 144 Ų | 144 | 98.1 Ų | 98.1 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 175.2 | -93.5 | 99 | 0 | 0 | 0 | 112.9 | Q85 V86 I87 I91 V92 L93 | Q85-W89 PolarHBondContact O-N 3Å; V86-W89 PolarHBondContact O-N 3.24Å; I87-W89 PolarHBondContact O-N 2.92Å; W89-I91 VanDerWaalsContact C-N 3.32Å; W89-I91 PolarHBondContact O-N 2.97Å; W89-V92 PolarHBondContact O-N 3.48Å; W89-L93 WeakPolarHBondContact O-CB 3.39Å; W89-L93 VanDerWaalsContact O-CG 3.31Å; W89-L93 WeakPolarHBondContact O-CG 3.3Å; W89-L93 PolarHBondContact O-N 2.86Å |
| 90 | A | 96.2 | Very high | 91.8 | Very high | 48 Ų | 48 | 96.2 Ų | 96.2 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V86 I87 L93 V94 | V86-A90 WeakPolarHBondContact O-CB 2.9Å; V86-A90 PolarHBondContact O-N 2.85Å; I87-A90 PolarHBondContact O-N 3.28Å; A90-L93 PolarHBondContact O-N 3.37Å; A90-V94 VanDerWaalsContact O-CG2 3.3Å; A90-V94 WeakPolarHBondContact O-CG2 3.34Å; A90-V94 PolarHBondContact O-N 3.07Å |
| 91 | I | 96.3 | Very high | 91.8 | Very high | 99 Ų | 99 | 91.7 Ų | 91.7 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 176.2 | -65.6 | 163.8 | 0 | 0 | 0 | 111 | I87 A88 W89 L93 V94 L95 | I87-I91 HydrophobicContact CG2-CD1 4.06Å; I87-I91 WeakPolarHBondContact O-CG1 3.32Å; I87-I91 PolarHBondContact O-N 3Å; A88-I91 PolarHBondContact O-N 3.38Å; W89-I91 VanDerWaalsContact C-N 3.32Å; W89-I91 PolarHBondContact O-N 2.97Å; I91-L93 VanDerWaalsContact C-N 3.32Å; I91-L93 PolarHBondContact O-N 2.88Å; I91-V94 PolarHBondContact O-N 3.28Å; I91-L95 HydrophobicContact CG2-CD1 4.24Å; I91-L95 WeakPolarHBondContact O-CG 3.32Å; I91-L95 PolarHBondContact O-N 2.9Å |
| 92 | V | 96.3 | Very high | 91.3 | Very high | 65 Ų | 65 | 89.6 Ų | 89.6 | 39% | 0.394 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 177.6 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | A88 W89 V94 L95 I96 | A88-V92 WeakPolarHBondContact O-CG2 3.33Å; A88-V92 PolarHBondContact O-N 3.43Å; W89-V92 PolarHBondContact O-N 3.48Å; V92-V94 PolarHBondContact O-N 2.82Å; V92-L95 PolarHBondContact O-N 3.44Å; V92-I96 HydrophobicContact CG1-CD1 3.75Å; V92-I96 HydrophobicContact CG1-CG1 4.39Å; V92-I96 VanDerWaalsContact O-CG1 3.3Å; V92-I96 WeakPolarHBondContact O-CG1 3.18Å; V92-I96 PolarHBondContact O-N 3.23Å |
| 93 | L | 94.9 | Very high | 90.4 | Very high | 100 Ų | 100 | 89.2 Ų | 89.2 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 177.4 | -72 | 174.8 | 0 | 0 | 0 | 112.5 | W89 A90 I91 I96 A97 | W89-L93 WeakPolarHBondContact O-CB 3.39Å; W89-L93 VanDerWaalsContact O-CG 3.31Å; W89-L93 WeakPolarHBondContact O-CG 3.3Å; W89-L93 PolarHBondContact O-N 2.86Å; A90-L93 PolarHBondContact O-N 3.37Å; I91-L93 VanDerWaalsContact C-N 3.32Å; I91-L93 PolarHBondContact O-N 2.88Å; L93-I96 PolarHBondContact O-N 3.04Å; L93-A97 VanDerWaalsContact O-CB 3.26Å; L93-A97 WeakPolarHBondContact O-CB 3.37Å; L93-A97 PolarHBondContact O-N 2.96Å |
| 94 | V | 95.2 | Very high | 89.5 | Confident | 100 Ų | 100 | 89.2 Ų | 89.2 | 61% | 0.606 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.4 | -41.3 | 174.5 | 172.1 | 0 | 0 | 0 | 0 | 111 | A90 I91 V92 A97 Y98 | A90-V94 VanDerWaalsContact O-CG2 3.3Å; A90-V94 WeakPolarHBondContact O-CG2 3.34Å; A90-V94 PolarHBondContact O-N 3.07Å; I91-V94 PolarHBondContact O-N 3.28Å; V92-V94 PolarHBondContact O-N 2.82Å; V94-A97 PolarHBondContact O-N 3.35Å; V94-Y98 WeakPolarHBondContact O-CB 3.28Å; V94-Y98 PolarHBondContact O-N 3.46Å |
| 95 | L | 93.7 | Very high | 88 | Confident | 94 Ų | 94 | 93.8 Ų | 93.8 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 175.9 | -69.5 | 173.8 | 0 | 0 | 0 | 111.9 | I91 V92 A97 Y98 Y99 | I91-L95 HydrophobicContact CG2-CD1 4.24Å; I91-L95 WeakPolarHBondContact O-CG 3.32Å; I91-L95 PolarHBondContact O-N 2.9Å; V92-L95 PolarHBondContact O-N 3.44Å; L95-A97 VanDerWaalsContact C-N 3.34Å; L95-Y98 PolarHBondContact O-N 3.33Å; L95-Y99 WeakPolarHBondContact O-CD2 3.48Å; L95-Y99 PolarHBondContact O-N 3.4Å |
| 96 | I | 93.3 | Very high | 86.2 | Confident | 99 Ų | 99 | 93.3 Ų | 93.3 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 175.8 | -68.2 | 166.7 | 0 | 0 | 0 | 110.3 | V92 L93 Y98 Y99 A100 | V92-I96 HydrophobicContact CG1-CD1 3.75Å; V92-I96 HydrophobicContact CG1-CG1 4.39Å; V92-I96 VanDerWaalsContact O-CG1 3.3Å; V92-I96 WeakPolarHBondContact O-CG1 3.18Å; V92-I96 PolarHBondContact O-N 3.23Å; L93-I96 PolarHBondContact O-N 3.04Å; I96-Y98 VanDerWaalsContact C-N 3.34Å; I96-Y98 PolarHBondContact O-N 3.11Å; I96-Y99 PolarHBondContact O-N 2.81Å; I96-A100 VanDerWaalsContact O-CB 3.23Å; I96-A100 WeakPolarHBondContact O-CB 3.27Å; I96-A100 PolarHBondContact O-N 3.39Å |
| 97 | A | 90.9 | Very high | 84.5 | Confident | 57 Ų | 57 | 91.5 Ų | 91.5 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L93 V94 L95 A100 S101 | L93-A97 VanDerWaalsContact O-CB 3.26Å; L93-A97 WeakPolarHBondContact O-CB 3.37Å; L93-A97 PolarHBondContact O-N 2.96Å; V94-A97 PolarHBondContact O-N 3.35Å; L95-A97 VanDerWaalsContact C-N 3.34Å; A97-A100 PolarHBondContact O-N 3.19Å; A97-S101 WeakPolarHBondContact O-CB 3.19Å; A97-S101 PolarHBondContact O-N 3.09Å; A97-S101 PolarHBondContact O-OG 3.49Å; A97-S101 VanDerWaalsContact O-OG 3.1Å |
| 98 | Y | 89.6 | Confident | 82.7 | Confident | 159 Ų | 159 | 92.6 Ų | 92.6 | 62% | 0.624 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.5 | -46.4 | 176.4 | -178.7 | -99.8 | 0 | 0 | 0 | 112.5 | V94 L95 I96 S101 A102 | V94-Y98 WeakPolarHBondContact O-CB 3.28Å; V94-Y98 PolarHBondContact O-N 3.46Å; L95-Y98 PolarHBondContact O-N 3.33Å; I96-Y98 VanDerWaalsContact C-N 3.34Å; I96-Y98 PolarHBondContact O-N 3.11Å; Y98-S101 WeakPolarHBondContact CA-OG 3.26Å; Y98-S101 PolarHBondContact O-N 3.02Å; Y98-S101 PolarHBondContact O-OG 2.87Å; Y98-A102 PolarHBondContact O-N 3.04Å |
| 99 | Y | 85.8 | Confident | 80.6 | Confident | 175 Ų | 175 | 95.9 Ų | 95.9 | 69% | 0.686 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.1 | -40.5 | 174.9 | -90.7 | -76.5 | 0 | 0 | 0 | 112.2 | L95 I96 A102 K103 | L95-Y99 WeakPolarHBondContact O-CD2 3.48Å; L95-Y99 PolarHBondContact O-N 3.4Å; I96-Y99 PolarHBondContact O-N 2.81Å; Y99-A102 PolarHBondContact O-N 3.07Å; Y99-K103 WeakPolarHBondContact O-CB 3.23Å; Y99-K103 PolarHBondContact O-N 3.09Å |
| 100 | A | 82.5 | Confident | 78.5 | Confident | 53 Ų | 53 | 94.9 Ų | 94.9 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I96 A97 K103 I104 | I96-A100 VanDerWaalsContact O-CB 3.23Å; I96-A100 WeakPolarHBondContact O-CB 3.27Å; I96-A100 PolarHBondContact O-N 3.39Å; A97-A100 PolarHBondContact O-N 3.19Å; A100-K103 PolarHBondContact O-N 3.33Å; A100-I104 WeakPolarHBondContact O-CB 3.24Å; A100-I104 PolarHBondContact O-N 2.86Å |
| 101 | S | 82.2 | Confident | 76.4 | Confident | 56 Ų | 56 | 96.3 Ų | 96.3 | 39% | 0.392 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.4 | -38.3 | 176.3 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | A97 Y98 K103 I104 E105 | A97-S101 WeakPolarHBondContact O-CB 3.19Å; A97-S101 PolarHBondContact O-N 3.09Å; A97-S101 PolarHBondContact O-OG 3.49Å; A97-S101 VanDerWaalsContact O-OG 3.1Å; Y98-S101 WeakPolarHBondContact CA-OG 3.26Å; Y98-S101 PolarHBondContact O-N 3.02Å; Y98-S101 PolarHBondContact O-OG 2.87Å; S101-K103 VanDerWaalsContact C-N 3.3Å; S101-K103 PolarHBondContact O-N 2.89Å; S101-I104 WeakPolarHBondContact O-CG2 3.37Å; S101-I104 PolarHBondContact O-N 3.37Å; S101-E105 WeakPolarHBondContact O-CB 3.22Å; S101-E105 PolarHBondContact O-N 2.92Å |
| 102 | A | 76.2 | Confident | 74.1 | Confident | 40 Ų | 40 | 99.9 Ų | 99.9 | 33% | 0.331 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y98 Y99 E105 V106 | Y98-A102 PolarHBondContact O-N 3.04Å; Y99-A102 PolarHBondContact O-N 3.07Å; A102-E105 PolarHBondContact O-N 3.02Å; A102-V106 VanDerWaalsContact O-CG2 3.31Å; A102-V106 WeakPolarHBondContact O-CG2 3.22Å; A102-V106 PolarHBondContact O-N 3.02Å |
| 103 | K | 68.9 | Low | 72 | Confident | 100 Ų | 100 | 105.9 Ų | 105.9 | 44% | 0.435 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.3 | -40.8 | 175.9 | -168.7 | 175.5 | -175.8 | 177.7 | 0 | 112.3 | Y99 A100 S101 E105 V106 V107 A131 | Y99-K103 WeakPolarHBondContact O-CB 3.23Å; Y99-K103 PolarHBondContact O-N 3.09Å; A100-K103 PolarHBondContact O-N 3.33Å; S101-K103 VanDerWaalsContact C-N 3.3Å; S101-K103 PolarHBondContact O-N 2.89Å; K103-E105 VanDerWaalsContact C-N 3.33Å; K103-V106 PolarHBondContact O-N 2.74Å; K103-V107 WeakPolarHBondContact O-CG2 3.44Å; K103-V107 PolarHBondContact O-N 3.45Å; K103-V107 VanDerWaalsContact O-N 3.08Å; K103-A131 PolarHBondContact NZ-O 2.97Å; K103-A131 VanDerWaalsContact NZ-O 3.08Å |
| 104 | I | 68.7 | Low | 70 | Confident | 91 Ų | 91 | 107.9 Ų | 107.9 | 47% | 0.467 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.8 | -35.2 | 176.8 | -151.1 | 78.2 | 0 | 0 | 0 | 110.5 | A100 S101 V107 I108 | A100-I104 WeakPolarHBondContact O-CB 3.24Å; A100-I104 PolarHBondContact O-N 2.86Å; S101-I104 WeakPolarHBondContact O-CG2 3.37Å; S101-I104 PolarHBondContact O-N 3.37Å; I104-V107 CarbonylContact O-C 3.58Å; I104-V107 WeakPolarHBondContact O-CA 3.42Å; I104-V107 PolarHBondContact O-N 2.79Å; I104-I108 HydrophobicContact CB-CD1 4.49Å; I104-I108 HydrophobicContact CG1-CD1 3.63Å; I104-I108 HydrophobicContact CG1-CG1 4.09Å; I104-I108 HydrophobicContact CG2-CD1 4.2Å; I104-I108 VanDerWaalsContact O-CB 3.3Å; I104-I108 WeakPolarHBondContact O-CB 3.12Å; I104-I108 VanDerWaalsContact O-CG1 3.29Å; I104-I108 WeakPolarHBondContact O-CG1 3.3Å; I104-I108 PolarHBondContact O-N 3.49Å |
| 105 | E | 61.3 | Low | 68.1 | Low | 133 Ų | 133 | 106.5 Ų | 106.5 | 62% | 0.621 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.7 | -43.7 | 173.4 | -174.5 | 175.4 | -174.5 | 0 | 0 | 110.1 | S101 A102 K103 V107 I108 D109 | S101-E105 WeakPolarHBondContact O-CB 3.22Å; S101-E105 PolarHBondContact O-N 2.92Å; A102-E105 PolarHBondContact O-N 3.02Å; K103-E105 VanDerWaalsContact C-N 3.33Å; E105-V107 PolarHBondContact O-N 3.15Å; E105-I108 PolarHBondContact O-N 3.26Å; E105-D109 WeakPolarHBondContact O-CA 3.32Å; E105-D109 WeakPolarHBondContact O-CB 3.47Å; E105-D109 PolarHBondContact O-N 2.86Å |
| 106 | V | 56.3 | Low | 66.2 | Low | 104 Ų | 104 | 106.2 Ų | 106.2 | 63% | 0.63 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.2 | -30.1 | 171.7 | 171.6 | 0 | 0 | 0 | 0 | 112.6 | A102 K103 | A102-V106 VanDerWaalsContact O-CG2 3.31Å; A102-V106 WeakPolarHBondContact O-CG2 3.22Å; A102-V106 PolarHBondContact O-N 3.02Å; K103-V106 PolarHBondContact O-N 2.74Å |
| 107 | V | 59.3 | Low | 64.7 | Low | 58 Ų | 58 | 107.3 Ų | 107.3 | 35% | 0.352 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -84 | -35.4 | 177.9 | 174.3 | 0 | 0 | 0 | 0 | 112.6 | K103 I104 E105 R110 | K103-V107 WeakPolarHBondContact O-CG2 3.44Å; K103-V107 PolarHBondContact O-N 3.45Å; K103-V107 VanDerWaalsContact O-N 3.08Å; I104-V107 CarbonylContact O-C 3.58Å; I104-V107 WeakPolarHBondContact O-CA 3.42Å; I104-V107 PolarHBondContact O-N 2.79Å; E105-V107 PolarHBondContact O-N 3.15Å; V107-R110 WeakPolarHBondContact O-CG 3.09Å |
| 108 | I | 57.4 | Low | 63.5 | Low | 125 Ų | 125 | 106 Ų | 106 | 64% | 0.641 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -85.2 | -30.3 | -177.7 | -69.3 | 173 | 0 | 0 | 0 | 111.2 | I104 E105 R110 | I104-I108 HydrophobicContact CB-CD1 4.49Å; I104-I108 HydrophobicContact CG1-CD1 3.63Å; I104-I108 HydrophobicContact CG1-CG1 4.09Å; I104-I108 HydrophobicContact CG2-CD1 4.2Å; I104-I108 VanDerWaalsContact O-CB 3.3Å; I104-I108 WeakPolarHBondContact O-CB 3.12Å; I104-I108 VanDerWaalsContact O-CG1 3.29Å; I104-I108 WeakPolarHBondContact O-CG1 3.3Å; I104-I108 PolarHBondContact O-N 3.49Å; E105-I108 PolarHBondContact O-N 3.26Å; I108-R110 PolarHBondContact O-N 3.15Å |
| 109 | D | 51.3 | Low | 62.7 | Low | 114 Ų | 114 | 100.8 Ų | 100.8 | 61% | 0.61 | 52% | 0.521 | S | S | * | . | trans | -68.7 | 31.1 | 169.1 | -164.2 | 35.2 | 0 | 0 | 0 | 112.4 | E105 S111 | E105-D109 WeakPolarHBondContact O-CA 3.32Å; E105-D109 WeakPolarHBondContact O-CB 3.47Å; E105-D109 PolarHBondContact O-N 2.86Å; D109-S111 PolarHBondContact O-N 2.89Å; D109-S111 VanDerWaalsContact OD1-CB 3.26Å; D109-S111 WeakPolarHBondContact OD1-CB 3.2Å | ||
| 110 | R | 51.5 | Low | 61.9 | Low | 123 Ų | 123 | 95.9 Ų | 95.9 | 46% | 0.464 | 52% | 0.517 | S | S | . | . | trans | -60.7 | 39.3 | 144.4 | -75.8 | -178.3 | 178.7 | -171.2 | 0.4 | 111.8 | V107 I108 Y112 | V107-R110 WeakPolarHBondContact O-CG 3.09Å; I108-R110 PolarHBondContact O-N 3.15Å; R110-Y112 VanDerWaalsContact C-N 3.29Å; R110-Y112 HydrophobicContact CB-CE2 4.45Å; R110-Y112 WeakPolarHBondContact O-CD2 3.5Å; R110-Y112 WeakPolarHBondContact O-CE2 2.91Å; R110-Y112 PolarHBondContact O-N 3.24Å | ||
| 111 | S | 53.2 | Low | 61.2 | Low | 77 Ų | 77 | 96.9 Ų | 96.9 | 54% | 0.538 | 52% | 0.517 | S | S | . | . | trans | -52.2 | 101.5 | 152.8 | 172 | 0 | 0 | 0 | 0 | 106.8 | D109 K113 | D109-S111 PolarHBondContact O-N 2.89Å; D109-S111 VanDerWaalsContact OD1-CB 3.26Å; D109-S111 WeakPolarHBondContact OD1-CB 3.2Å; S111-K113 PolarHBondContact O-N 3.4Å | ||
| 112 | Y | 46.9 | Very low | 60.6 | Low | 175 Ų | 175 | 96.2 Ų | 96.2 | 69% | 0.686 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 59.8 | -170.1 | -78.3 | -91.2 | 0 | 0 | 0 | 112.9 | R110 | R110-Y112 VanDerWaalsContact C-N 3.29Å; R110-Y112 HydrophobicContact CB-CE2 4.45Å; R110-Y112 WeakPolarHBondContact O-CD2 3.5Å; R110-Y112 WeakPolarHBondContact O-CE2 2.91Å; R110-Y112 PolarHBondContact O-N 3.24Å |
| 113 | K | 54 | Low | 60.3 | Low | 190 Ų | 190 | 98.1 Ų | 98.1 | 83% | 0.826 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -31.2 | 158.8 | -86.5 | -173.1 | 177.1 | 179.8 | 0 | 112.1 | S111 | S111-K113 PolarHBondContact O-N 3.4Š|
| 114 | N | 51.7 | Low | 60.2 | Low | 143 Ų | 143 | 100.1 Ų | 100.1 | 77% | 0.765 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -86.4 | 131.1 | 175 | -63.1 | -36.6 | 0 | 0 | 0 | 108.5 | ||
| 115 | A | 55.1 | Low | 59.9 | Low | 70 Ų | 70 | 100.7 Ų | 100.7 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | trans | -38 | 146.1 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115 | F117 | A115-F117 PolarHBondContact O-N 2.84Š| ||
| 116 | P | 55.1 | Low | 59.8 | Low | 88 Ų | 88 | 98.8 Ų | 98.8 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | trans | -49.8 | 145.1 | 178.1 | 22.9 | -34.2 | 0 | 0 | 0 | 110 | T118 | P116-T118 VanDerWaalsContact C-N 3.34Å; P116-T118 HydrophobicContact CG-CG2 4.43Å; P116-T118 WeakPolarHBondContact O-CB 3.04Å; P116-T118 WeakPolarHBondContact O-CG2 3.42Å; P116-T118 PolarHBondContact O-N 3.26Å; P116-T118 PolarHBondContact O-OG1 2.94Å | ||
| 117 | F | 60.1 | Low | 59.7 | Low | 122 Ų | 122 | 105.3 Ų | 105.3 | 54% | 0.535 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -39 | 96.5 | 171.6 | -174.2 | -108 | 0 | 0 | 0 | 110.4 | A115 M122 | A115-F117 PolarHBondContact O-N 2.84Å; F117-M122 HydrophobicContact CD1-SD 3.77Å; F117-M122 HydrophobicContact CD2-CG 4.15Å; F117-M122 HydrophobicContact CD2-SD 4.11Å; F117-M122 HydrophobicContact CE1-CE 3.62Å; F117-M122 HydrophobicContact CE1-CG 4.4Å; F117-M122 HydrophobicContact CE1-SD 3.18Å; F117-M122 WeakPolarHBondContact CE1-SD 3.32Å; F117-M122 HydrophobicContact CE2-CE 3.58Å; F117-M122 HydrophobicContact CE2-CG 3.82Å; F117-M122 HydrophobicContact CE2-SD 3.57Å; F117-M122 VanDerWaalsContact CE2-SD 3.57Å; F117-M122 HydrophobicContact CG-SD 4.23Å; F117-M122 HydrophobicContact CZ-CE 3Å; F117-M122 HydrophobicContact CZ-CG 4.02Å; F117-M122 HydrophobicContact CZ-SD 3.12Å; F117-M122 WeakPolarHBondContact CZ-SD 3.45Å |
| 118 | T | 66.9 | Low | 59.4 | Low | 31 Ų | 31 | 110.1 Ų | 110.1 | 19% | 0.19 | 55% | 0.548 | C | S | . | . | trans | -112.3 | 141.2 | -173.3 | 43.5 | 0 | 0 | 0 | 0 | 107.5 | P116 A120 T121 M122 | P116-T118 VanDerWaalsContact C-N 3.34Å; P116-T118 HydrophobicContact CG-CG2 4.43Å; P116-T118 WeakPolarHBondContact O-CB 3.04Å; P116-T118 WeakPolarHBondContact O-CG2 3.42Å; P116-T118 PolarHBondContact O-N 3.26Å; P116-T118 PolarHBondContact O-OG1 2.94Å; T118-A120 PolarHBondContact O-N 3.43Å; T118-T121 PolarHBondContact N-OG1 2.76Å; T118-T121 PolarHBondContact O-N 2.87Å; T118-T121 PolarHBondContact O-OG1 3.43Å; T118-T121 PolarHBondContact OG1-OG1 3.12Å; T118-M122 PolarHBondContact O-N 2.82Å; T118-M122 VanDerWaalsContact O-N 3.1Å | ||
| 119 | W | 71.8 | Confident | 59 | Low | 48 Ų | 48 | 109.2 Ų | 109.2 | 18% | 0.182 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -44.7 | -40.8 | 173.6 | 177.7 | -114.6 | 0 | 0 | 0 | 113.3 | T121 M122 K123 E147 Q150 I154 | W119-T121 VanDerWaalsContact C-N 3.33Å; W119-T121 PolarHBondContact O-N 3.33Å; W119-M122 PolarHBondContact O-N 3.44Å; W119-K123 WeakPolarHBondContact O-CB 3.27Å; W119-K123 PolarHBondContact O-N 3.43Å; W119-E147 HydrophobicContact CZ2-CB 4.08Å; W119-E147 HydrophobicContact CZ2-CG 3.89Å; W119-Q150 HydrophobicContact CD2-CB 4.38Å; W119-Q150 HydrophobicContact CZ2-CB 4.33Å; W119-I154 HydrophobicContact CB-CD1 3.45Å; W119-I154 VanDerWaalsContact CB-CD1 3.45Å; W119-I154 HydrophobicContact CG-CD1 3.6Å |
| 120 | A | 70.4 | Confident | 59.2 | Low | 73 Ų | 73 | 106.1 Ų | 106.1 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.3 | -38.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T118 | T118-A120 PolarHBondContact O-N 3.43Å |
| 121 | T | 67.9 | Low | 59.3 | Low | 73 Ų | 73 | 103.1 Ų | 103.1 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -81 | -27.7 | 177.8 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | T118 W119 R125 | T118-T121 PolarHBondContact N-OG1 2.76Å; T118-T121 PolarHBondContact O-N 2.87Å; T118-T121 PolarHBondContact O-OG1 3.43Å; T118-T121 PolarHBondContact OG1-OG1 3.12Å; W119-T121 VanDerWaalsContact C-N 3.33Å; W119-T121 PolarHBondContact O-N 3.33Å; T121-R125 WeakPolarHBondContact O-CB 3.35Å; T121-R125 PolarHBondContact O-N 3.49Å |
| 122 | M | 69.7 | Low | 59.3 | Low | 43 Ų | 43 | 108.1 Ų | 108.1 | 21% | 0.212 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -73.3 | -43.5 | 175.2 | -67.4 | -178.5 | 82.5 | 0 | 0 | 112.6 | F117 T118 W119 D124 R125 D126 | F117-M122 HydrophobicContact CD1-SD 3.77Å; F117-M122 HydrophobicContact CD2-CG 4.15Å; F117-M122 HydrophobicContact CD2-SD 4.11Å; F117-M122 HydrophobicContact CE1-CE 3.62Å; F117-M122 HydrophobicContact CE1-CG 4.4Å; F117-M122 HydrophobicContact CE1-SD 3.18Å; F117-M122 WeakPolarHBondContact CE1-SD 3.32Å; F117-M122 HydrophobicContact CE2-CE 3.58Å; F117-M122 HydrophobicContact CE2-CG 3.82Å; F117-M122 HydrophobicContact CE2-SD 3.57Å; F117-M122 VanDerWaalsContact CE2-SD 3.57Å; F117-M122 HydrophobicContact CG-SD 4.23Å; F117-M122 HydrophobicContact CZ-CE 3Å; F117-M122 HydrophobicContact CZ-CG 4.02Å; F117-M122 HydrophobicContact CZ-SD 3.12Å; F117-M122 WeakPolarHBondContact CZ-SD 3.45Å; T118-M122 PolarHBondContact O-N 2.82Å; T118-M122 VanDerWaalsContact O-N 3.1Å; W119-M122 PolarHBondContact O-N 3.44Å; M122-D124 PolarHBondContact O-N 2.92Å; M122-R125 PolarHBondContact O-N 2.82Å; M122-D126 PolarHBondContact O-N 2.73Å; M122-D126 VanDerWaalsContact O-N 3.16Å |
| 123 | K | 69.4 | Low | 59.8 | Low | 79 Ų | 79 | 103.2 Ų | 103.2 | 34% | 0.343 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -49.7 | -37.8 | 179.6 | 171 | 171.3 | -179.6 | 141.8 | 0 | 112.2 | W119 R142 E147 E151 | W119-K123 WeakPolarHBondContact O-CB 3.27Å; W119-K123 PolarHBondContact O-N 3.43Å; K123-R142 PolarHBondContact O-NH1 2.72Å; K123-E147 WeakPolarHBondContact CD-OE1 3.27Å; K123-E147 WeakPolarHBondContact CE-OE1 3.22Å; K123-E147 WeakPolarHBondContact CG-OE1 3.48Å; K123-E147 IonicContact NZ-OE1 3.49Å; K123-E147 PolarHBondContact NZ-OE1 3.08Å; K123-E151 IonicContact NZ-OE1 2.72Å; K123-E151 PolarHBondContact NZ-OE1 2.9Å |
| 124 | D | 67.3 | Low | 59.6 | Low | 142 Ų | 142 | 101.9 Ų | 101.9 | 76% | 0.759 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -86.7 | -33.1 | -179.3 | -155.2 | 33.9 | 0 | 0 | 0 | 112.7 | M122 | M122-D124 PolarHBondContact O-N 2.92Å |
| 125 | R | 61.8 | Low | 59.9 | Low | 103 Ų | 103 | 102.7 Ų | 102.7 | 39% | 0.389 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -83.6 | -21.9 | -170.5 | -160.1 | 178.3 | 87.3 | 155.4 | 15.2 | 115.4 | T121 M122 R127 E128 Y129 | T121-R125 WeakPolarHBondContact O-CB 3.35Å; T121-R125 PolarHBondContact O-N 3.49Å; M122-R125 PolarHBondContact O-N 2.82Å; R125-R127 PolarHBondContact O-N 2.87Å; R125-E128 PolarHBondContact O-N 3.33Å; R125-E128 VanDerWaalsContact O-N 3.12Å; R125-Y129 HydrophobicContact CG-CD2 4.43Å |
| 126 | D | 58.4 | Low | 60 | Low | 94 Ų | 94 | 102.2 Ų | 102.2 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -6 | -170 | -77.4 | -14.8 | 0 | 0 | 0 | 115.1 | M122 E128 | M122-D126 PolarHBondContact O-N 2.73Å; M122-D126 VanDerWaalsContact O-N 3.16Å; D126-E128 VanDerWaalsContact C-N 3.34Å |
| 127 | R | 54.1 | Low | 60.1 | Low | 240 Ų | 240 | 104.2 Ų | 104.2 | 91% | 0.906 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -23.6 | 171.6 | -68.1 | -171.6 | -179.1 | -159.1 | 1.3 | 113.7 | R125 | R125-R127 PolarHBondContact O-N 2.87Š|
| 128 | E | 53.9 | Low | 60 | Low | 160 Ų | 160 | 104 Ų | 104 | 75% | 0.748 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -21.7 | -168.2 | -64.2 | -179.3 | 173.3 | 0 | 0 | 114.1 | R125 D126 V130 | R125-E128 PolarHBondContact O-N 3.33Å; R125-E128 VanDerWaalsContact O-N 3.12Å; D126-E128 VanDerWaalsContact C-N 3.34Å; E128-V130 PolarHBondContact O-N 2.87Å |
| 129 | Y | 49.6 | Very low | 59.7 | Low | 105 Ų | 105 | 106.4 Ų | 106.4 | 41% | 0.412 | 57% | 0.568 | S | S | . | * | trans | -95.7 | 75.2 | -172.8 | -91.2 | -92.6 | 0 | 0 | 0 | 112.5 | R125 | R125-Y129 HydrophobicContact CG-CD2 4.43Š| ||
| 130 | V | 53.7 | Low | 59.3 | Low | 49 Ų | 49 | 111 Ų | 111 | 30% | 0.297 | 60% | 0.595 | S | S | . | * | trans | -92.8 | 117.4 | 146.2 | -172.9 | 0 | 0 | 0 | 0 | 108.1 | E128 F132 G133 F134 P136 | E128-V130 PolarHBondContact O-N 2.87Å; V130-F132 PolarHBondContact O-N 3.47Å; V130-G133 PolarHBondContact O-N 3.46Å; V130-F134 WeakPolarHBondContact CB-O 3.36Å; V130-F134 HydrophobicContact CG1-CB 3.9Å; V130-F134 VanDerWaalsContact CG1-O 3.23Å; V130-F134 WeakPolarHBondContact CG1-O 3.47Å; V130-F134 WeakPolarHBondContact CG2-O 3.37Å; V130-P136 HydrophobicContact CG2-CG 3.81Å | ||
| 131 | A | 54 | Low | 59.1 | Low | 61 Ų | 61 | 112.3 Ų | 112.3 | 50% | 0.504 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -49.5 | -25.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K103 | K103-A131 PolarHBondContact NZ-O 2.97Å; K103-A131 VanDerWaalsContact NZ-O 3.08Å |
| 132 | F | 54.3 | Low | 59.1 | Low | 181 Ų | 181 | 114.7 Ų | 114.7 | 79% | 0.794 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126 | 39.8 | -176.1 | -61.8 | -74.9 | 0 | 0 | 0 | 114.3 | V130 F134 | V130-F132 PolarHBondContact O-N 3.47Å; F132-F134 PolarHBondContact O-N 2.8Å |
| 133 | G | 55.9 | Low | 59.5 | Low | 73 Ų | 73 | 118.4 Ų | 118.4 | 75% | 0.753 | 62% | 0.621 | S | S | * | * | S | Bend | trans | 54.4 | 16 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V130 E135 | V130-G133 PolarHBondContact O-N 3.46Å; G133-E135 PolarHBondContact O-N 3.09Å |
| 134 | F | 51.5 | Low | 60.1 | Low | 162 Ų | 162 | 120.4 Ų | 120.4 | 71% | 0.711 | 64% | 0.635 | S | S | * | * | trans | -98 | 82.8 | -174.3 | -146.3 | -84.4 | 0 | 0 | 0 | 104.5 | V130 F132 P136 | V130-F134 WeakPolarHBondContact CB-O 3.36Å; V130-F134 HydrophobicContact CG1-CB 3.9Å; V130-F134 VanDerWaalsContact CG1-O 3.23Å; V130-F134 WeakPolarHBondContact CG1-O 3.47Å; V130-F134 WeakPolarHBondContact CG2-O 3.37Å; F132-F134 PolarHBondContact O-N 2.8Å; F134-P136 WeakPolarHBondContact O-CD 3.4Å | ||
| 135 | E | 57.7 | Low | 60.8 | Low | 159 Ų | 159 | 119.8 Ų | 119.8 | 74% | 0.743 | 63% | 0.631 | S | S | * | * | trans | -53.5 | 111.6 | 170.5 | -73.9 | -179.3 | 179.6 | 0 | 0 | 107 | G133 T137 | G133-E135 PolarHBondContact O-N 3.09Å; E135-T137 VanDerWaalsContact C-N 3.31Å; E135-T137 PolarHBondContact O-N 2.82Å; E135-T137 PolarHBondContact O-OG1 2.85Å | ||
| 136 | P | 56.2 | Low | 61.7 | Low | 60 Ų | 60 | 119 Ų | 119 | 39% | 0.39 | 63% | 0.633 | S | S | . | * | trans | -67.7 | 104.7 | -179.4 | -7.3 | 25 | 0 | 0 | 0 | 103.8 | V130 F134 P138 A139 | V130-P136 HydrophobicContact CG2-CG 3.81Å; F134-P136 WeakPolarHBondContact O-CD 3.4Å; P136-P138 CarbonylContact C-O 3.5Å; P136-P138 CarbonylContact O-C 3.48Å; P136-P138 VanDerWaalsContact O-O 3.09Å; P136-A139 WeakPolarHBondContact O-CA 3.48Å; P136-A139 PolarHBondContact O-N 3.31Å | ||
| 137 | T | 57.4 | Low | 62.9 | Low | 130 Ų | 130 | 115.5 Ų | 115.5 | 80% | 0.798 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -100.7 | 110.5 | 172.8 | -48.8 | 0 | 0 | 0 | 0 | 105.6 | E135 | E135-T137 VanDerWaalsContact C-N 3.31Å; E135-T137 PolarHBondContact O-N 2.82Å; E135-T137 PolarHBondContact O-OG1 2.85Å |
| 138 | P | 57.7 | Low | 64.5 | Low | 117 Ų | 117 | 106.9 Ų | 106.9 | 76% | 0.76 | 59% | 0.587 | S | S | * | * | S | Bend | cis | -83.9 | 153.4 | 3.4 | 33.5 | -33.5 | 0 | 0 | 0 | 113.7 | P136 I140 | P136-P138 CarbonylContact C-O 3.5Å; P136-P138 CarbonylContact O-C 3.48Å; P136-P138 VanDerWaalsContact O-O 3.09Å; P138-I140 PolarHBondContact O-N 3.42Å |
| 139 | A | 62 | Low | 66.2 | Low | 83 Ų | 83 | 103.2 Ų | 103.2 | 69% | 0.686 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 132.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | P136 S141 | P136-A139 WeakPolarHBondContact O-CA 3.48Å; P136-A139 PolarHBondContact O-N 3.31Å; A139-S141 PolarHBondContact O-N 2.87Å; A139-S141 VanDerWaalsContact O-N 3.08Å |
| 140 | I | 63.5 | Low | 68 | Low | 145 Ų | 145 | 102.1 Ų | 102.1 | 74% | 0.744 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -55 | 120.5 | 177.1 | -59.2 | 169.2 | 0 | 0 | 0 | 107.6 | P138 R142 | P138-I140 PolarHBondContact O-N 3.42Å; I140-R142 PolarHBondContact O-N 2.78Å; I140-R142 VanDerWaalsContact O-N 3.15Å |
| 141 | S | 66.2 | Low | 69.6 | Low | 100 Ų | 100 | 103.8 Ų | 103.8 | 70% | 0.699 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 118.6 | 178.5 | 55.7 | 0 | 0 | 0 | 0 | 109.1 | A139 | A139-S141 PolarHBondContact O-N 2.87Å; A139-S141 VanDerWaalsContact O-N 3.08Å |
| 142 | R | 66.1 | Low | 71.4 | Confident | 123 Ų | 123 | 106.1 Ų | 106.1 | 46% | 0.464 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 138.3 | 175 | -65.3 | -179.7 | 70.2 | 167.3 | -0.4 | 109.3 | K123 I140 D144 E147 | K123-R142 PolarHBondContact O-NH1 2.72Å; I140-R142 PolarHBondContact O-N 2.78Å; I140-R142 VanDerWaalsContact O-N 3.15Å; R142-D144 PolarHBondContact O-N 2.57Å; R142-D144 VanDerWaalsContact O-N 3.15Å; R142-E147 IonicContact CZ-OE1 2.8Å; R142-E147 IonicContact CZ-OE2 2.93Å; R142-E147 IonicContact NE-OE2 2.66Å; R142-E147 PolarHBondContact NE-OE2 2.76Å; R142-E147 IonicContact NH1-OE1 3.66Å; R142-E147 IonicContact NH2-OE1 3.93Å; R142-E147 PolarHBondContact NH2-OE1 3.46Å; R142-E147 IonicContact NH2-OE2 3.2Å; R142-E147 PolarHBondContact NH2-OE2 3.41Å |
| 143 | L | 78.7 | Confident | 73 | Confident | 121 Ų | 121 | 103.5 Ų | 103.5 | 63% | 0.634 | 57% | 0.568 | S | S | * | * | trans | -76.2 | 97.4 | 168.9 | -103.1 | 75.8 | 0 | 0 | 0 | 108.5 | L145 M146 E147 | L143-L145 PolarHBondContact O-N 2.87Å; L143-M146 HydrophobicContact CB-CB 4.14Å; L143-M146 HydrophobicContact CB-CG 3.98Å; L143-M146 HydrophobicContact CD2-CG 3.81Å; L143-M146 PolarHBondContact O-N 3.17Å; L143-M146 VanDerWaalsContact O-N 3.1Å; L143-E147 PolarHBondContact O-N 2.89Å | ||
| 144 | D | 81.6 | Confident | 74.5 | Confident | 120 Ų | 120 | 101.4 Ų | 101.4 | 64% | 0.642 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -51.6 | -43.5 | 179.2 | -166.9 | 43.2 | 0 | 0 | 0 | 112.1 | R142 M146 E147 T148 | R142-D144 PolarHBondContact O-N 2.57Å; R142-D144 VanDerWaalsContact O-N 3.15Å; D144-M146 VanDerWaalsContact C-N 3.34Å; D144-M146 PolarHBondContact O-N 3.41Å; D144-E147 WeakPolarHBondContact O-CB 3.47Å; D144-E147 PolarHBondContact O-N 3.19Å; D144-E147 VanDerWaalsContact O-N 3.17Å; D144-T148 PolarHBondContact O-N 3.23Å; D144-T148 PolarHBondContact O-OG1 2.93Å; D144-T148 VanDerWaalsContact O-OG1 3.11Å |
| 145 | L | 83 | Confident | 76.3 | Confident | 130 Ų | 130 | 97.7 Ų | 97.7 | 68% | 0.681 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.9 | -39.7 | 179.1 | -174.9 | 68.5 | 0 | 0 | 0 | 113.8 | L143 E147 L149 | L143-L145 PolarHBondContact O-N 2.87Å; L145-E147 VanDerWaalsContact C-N 3.32Å; L145-L149 WeakPolarHBondContact O-CB 3.32Å; L145-L149 PolarHBondContact O-N 2.78Å; L145-L149 VanDerWaalsContact O-N 3.14Å |
| 146 | M | 80.7 | Confident | 77.8 | Confident | 87 Ų | 87 | 93.9 Ų | 93.9 | 43% | 0.429 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72.6 | -32.2 | -178.3 | -69.3 | -67.7 | 99 | 0 | 0 | 111.5 | L143 D144 L149 Q150 | L143-M146 HydrophobicContact CB-CB 4.14Å; L143-M146 HydrophobicContact CB-CG 3.98Å; L143-M146 HydrophobicContact CD2-CG 3.81Å; L143-M146 PolarHBondContact O-N 3.17Å; L143-M146 VanDerWaalsContact O-N 3.1Å; D144-M146 VanDerWaalsContact C-N 3.34Å; D144-M146 PolarHBondContact O-N 3.41Å; M146-L149 HydrophobicContact CE-CD2 4.27Å; M146-Q150 WeakPolarHBondContact O-CG 3.35Å; M146-Q150 PolarHBondContact O-N 3.17Å |
| 147 | E | 82.7 | Confident | 79.3 | Confident | 19 Ų | 19 | 92 Ų | 92 | 9% | 0.089 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -70.1 | -45.3 | 176.4 | 170.3 | 154.6 | -150.7 | 0 | 0 | 111.5 | W119 K123 R142 L143 D144 L145 L149 Q150 E151 | W119-E147 HydrophobicContact CZ2-CB 4.08Å; W119-E147 HydrophobicContact CZ2-CG 3.89Å; K123-E147 WeakPolarHBondContact CD-OE1 3.27Å; K123-E147 WeakPolarHBondContact CE-OE1 3.22Å; K123-E147 WeakPolarHBondContact CG-OE1 3.48Å; K123-E147 IonicContact NZ-OE1 3.49Å; K123-E147 PolarHBondContact NZ-OE1 3.08Å; R142-E147 IonicContact CZ-OE1 2.8Å; R142-E147 IonicContact CZ-OE2 2.93Å; R142-E147 IonicContact NE-OE2 2.66Å; R142-E147 PolarHBondContact NE-OE2 2.76Å; R142-E147 IonicContact NH1-OE1 3.66Å; R142-E147 IonicContact NH2-OE1 3.93Å; R142-E147 PolarHBondContact NH2-OE1 3.46Å; R142-E147 IonicContact NH2-OE2 3.2Å; R142-E147 PolarHBondContact NH2-OE2 3.41Å; L143-E147 PolarHBondContact O-N 2.89Å; D144-E147 WeakPolarHBondContact O-CB 3.47Å; D144-E147 PolarHBondContact O-N 3.19Å; D144-E147 VanDerWaalsContact O-N 3.17Å; L145-E147 VanDerWaalsContact C-N 3.32Å; E147-L149 VanDerWaalsContact C-N 3.32Å; E147-L149 PolarHBondContact O-N 3.4Å; E147-Q150 PolarHBondContact O-N 2.87Å; E147-E151 WeakPolarHBondContact O-CG 3.41Å; E147-E151 PolarHBondContact O-N 2.99Å |
| 148 | T | 87.9 | Confident | 80.7 | Confident | 59 Ų | 59 | 92.8 Ų | 92.8 | 36% | 0.362 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.3 | -45.8 | 173.9 | -46.7 | 0 | 0 | 0 | 0 | 111.3 | D144 Q150 E151 E152 | D144-T148 PolarHBondContact O-N 3.23Å; D144-T148 PolarHBondContact O-OG1 2.93Å; D144-T148 VanDerWaalsContact O-OG1 3.11Å; T148-Q150 VanDerWaalsContact C-N 3.33Å; T148-Q150 PolarHBondContact O-N 3.49Å; T148-E151 WeakPolarHBondContact O-CB 3.43Å; T148-E151 PolarHBondContact O-N 2.8Å; T148-E151 VanDerWaalsContact O-N 3.15Å; T148-E152 PolarHBondContact O-N 3.41Å |
| 149 | L | 89.4 | Confident | 82.1 | Confident | 84 Ų | 84 | 95.1 Ų | 95.1 | 44% | 0.44 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 179 | -174.4 | 67 | 0 | 0 | 0 | 112.2 | L145 M146 E147 E151 E152 M153 | L145-L149 WeakPolarHBondContact O-CB 3.32Å; L145-L149 PolarHBondContact O-N 2.78Å; L145-L149 VanDerWaalsContact O-N 3.14Å; M146-L149 HydrophobicContact CE-CD2 4.27Å; E147-L149 VanDerWaalsContact C-N 3.32Å; E147-L149 PolarHBondContact O-N 3.4Å; L149-E151 VanDerWaalsContact C-N 3.34Å; L149-E152 PolarHBondContact O-N 3.46Å; L149-M153 WeakPolarHBondContact O-CG 3.5Å; L149-M153 PolarHBondContact O-N 2.94Å |
| 150 | Q | 87.8 | Confident | 83.3 | Confident | 82 Ų | 82 | 100.2 Ų | 100.2 | 38% | 0.383 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66 | -37 | 175.6 | -82 | 175 | -44.3 | 0 | 0 | 112.2 | W119 M146 E147 T148 I154 | W119-Q150 HydrophobicContact CD2-CB 4.38Å; W119-Q150 HydrophobicContact CZ2-CB 4.33Å; M146-Q150 WeakPolarHBondContact O-CG 3.35Å; M146-Q150 PolarHBondContact O-N 3.17Å; E147-Q150 PolarHBondContact O-N 2.87Å; T148-Q150 VanDerWaalsContact C-N 3.33Å; T148-Q150 PolarHBondContact O-N 3.49Å; Q150-I154 WeakPolarHBondContact O-CB 3.47Å; Q150-I154 VanDerWaalsContact O-CD1 3.32Å; Q150-I154 WeakPolarHBondContact O-CD1 3.47Å; Q150-I154 WeakPolarHBondContact O-CG1 3.47Å; Q150-I154 PolarHBondContact O-N 2.95Å |
| 151 | E | 88.4 | Confident | 84.3 | Confident | 83 Ų | 83 | 96.2 Ų | 96.2 | 39% | 0.388 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 175.1 | -71.8 | 179 | 175.2 | 0 | 0 | 111.8 | K123 E147 T148 L149 M153 I154 E155 | K123-E151 IonicContact NZ-OE1 2.72Å; K123-E151 PolarHBondContact NZ-OE1 2.9Å; E147-E151 WeakPolarHBondContact O-CG 3.41Å; E147-E151 PolarHBondContact O-N 2.99Å; T148-E151 WeakPolarHBondContact O-CB 3.43Å; T148-E151 PolarHBondContact O-N 2.8Å; T148-E151 VanDerWaalsContact O-N 3.15Å; L149-E151 VanDerWaalsContact C-N 3.34Å; E151-M153 PolarHBondContact O-N 3.19Å; E151-I154 PolarHBondContact O-N 2.84Å; E151-E155 PolarHBondContact O-N 3.19Å |
| 152 | E | 91 | Very high | 85 | Confident | 111 Ų | 111 | 96.7 Ų | 96.7 | 52% | 0.519 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 175.6 | -71.2 | -179.2 | 175.4 | 0 | 0 | 111.8 | T148 L149 I154 E155 E156 | T148-E152 PolarHBondContact O-N 3.41Å; L149-E152 PolarHBondContact O-N 3.46Å; E152-I154 VanDerWaalsContact C-N 3.28Å; E152-I154 PolarHBondContact O-N 3.46Å; E152-E155 PolarHBondContact O-N 3.34Å; E152-E156 WeakPolarHBondContact O-CB 3.24Å; E152-E156 WeakPolarHBondContact O-CG 3.22Å; E152-E156 PolarHBondContact O-N 3.49Å |
| 153 | M | 88.7 | Confident | 85.1 | Confident | 125 Ų | 125 | 95.2 Ų | 95.2 | 62% | 0.616 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.3 | -35.9 | 177.1 | -73.8 | -176.1 | 69.5 | 0 | 0 | 112.5 | L149 E151 A157 | L149-M153 WeakPolarHBondContact O-CG 3.5Å; L149-M153 PolarHBondContact O-N 2.94Å; E151-M153 PolarHBondContact O-N 3.19Å; M153-A157 VanDerWaalsContact O-CB 3.26Å; M153-A157 WeakPolarHBondContact O-CB 3.22Å; M153-A157 PolarHBondContact O-N 3.32Å |
| 154 | I | 86.6 | Confident | 84.3 | Confident | 29 Ų | 29 | 101.8 Ų | 101.8 | 15% | 0.149 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -71.3 | -40.4 | 177.2 | -69.8 | 165.8 | 0 | 0 | 0 | 110.7 | W119 Q150 E151 E152 A157 R158 | W119-I154 HydrophobicContact CB-CD1 3.45Å; W119-I154 VanDerWaalsContact CB-CD1 3.45Å; W119-I154 HydrophobicContact CG-CD1 3.6Å; Q150-I154 WeakPolarHBondContact O-CB 3.47Å; Q150-I154 VanDerWaalsContact O-CD1 3.32Å; Q150-I154 WeakPolarHBondContact O-CD1 3.47Å; Q150-I154 WeakPolarHBondContact O-CG1 3.47Å; Q150-I154 PolarHBondContact O-N 2.95Å; E151-I154 PolarHBondContact O-N 2.84Å; E152-I154 VanDerWaalsContact C-N 3.28Å; E152-I154 PolarHBondContact O-N 3.46Å; I154-A157 PolarHBondContact O-N 2.98Å; I154-R158 WeakPolarHBondContact O-CB 3.47Å; I154-R158 PolarHBondContact O-N 3.25Å |
| 155 | E | 88.9 | Confident | 84.5 | Confident | 85 Ų | 85 | 100.9 Ų | 100.9 | 40% | 0.397 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 175.4 | -167 | -175.7 | 160.5 | 0 | 0 | 110.9 | E151 E152 A157 R158 R159 | E151-E155 PolarHBondContact O-N 3.19Å; E152-E155 PolarHBondContact O-N 3.34Å; E155-A157 VanDerWaalsContact C-N 3.35Å; E155-A157 PolarHBondContact O-N 3.3Å; E155-R158 WeakPolarHBondContact O-CB 3.45Å; E155-R158 PolarHBondContact O-N 2.93Å; E155-R158 VanDerWaalsContact O-N 3.13Å; E155-R159 WeakPolarHBondContact O-CG 3.32Å; E155-R159 PolarHBondContact O-N 3.05Å; E155-R159 IonicContact OE1-CZ 3.53Å; E155-R159 IonicContact OE1-NE 3.84Å; E155-R159 PolarHBondContact OE1-NE 2.9Å; E155-R159 IonicContact OE1-NH2 2.73Å; E155-R159 PolarHBondContact OE1-NH2 3.48Å |
| 156 | E | 90.2 | Very high | 84.6 | Confident | 78 Ų | 78 | 99.3 Ų | 99.3 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 175 | -74.5 | -60 | 140.3 | 0 | 0 | 112.1 | E152 R158 R159 R160 | E152-E156 WeakPolarHBondContact O-CB 3.24Å; E152-E156 WeakPolarHBondContact O-CG 3.22Å; E152-E156 PolarHBondContact O-N 3.49Å; E156-R158 VanDerWaalsContact C-N 3.29Å; E156-R158 PolarHBondContact O-N 3.49Å; E156-R159 PolarHBondContact O-N 3.29Å; E156-R159 IonicContact OE1-CZ 3.49Å; E156-R159 IonicContact OE1-NE 3.16Å; E156-R159 IonicContact OE1-NH1 2.75Å; E156-R159 PolarHBondContact OE1-NH1 2.96Å; E156-R160 VanDerWaalsContact O-CG 3.29Å; E156-R160 WeakPolarHBondContact O-CG 2.95Å; E156-R160 PolarHBondContact O-N 3.42Å |
| 157 | A | 86.4 | Confident | 84.8 | Confident | 22 Ų | 22 | 100 Ų | 100 | 18% | 0.182 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -64.1 | -34.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M153 I154 E155 G161 T162 R163 | M153-A157 VanDerWaalsContact O-CB 3.26Å; M153-A157 WeakPolarHBondContact O-CB 3.22Å; M153-A157 PolarHBondContact O-N 3.32Å; I154-A157 PolarHBondContact O-N 2.98Å; E155-A157 VanDerWaalsContact C-N 3.35Å; E155-A157 PolarHBondContact O-N 3.3Å; A157-G161 PolarHBondContact O-N 3.45Å; A157-T162 WeakPolarHBondContact CA-OG1 3.25Å; A157-T162 PolarHBondContact O-N 3.47Å; A157-T162 VanDerWaalsContact O-N 3.07Å; A157-T162 PolarHBondContact O-OG1 3.18Å; A157-R163 HydrophobicContact CB-CB 4.24Å; A157-R163 PolarHBondContact O-N 3.44Å |
| 158 | R | 86.5 | Confident | 84.9 | Confident | 145 Ų | 145 | 104.8 Ų | 104.8 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.3 | -43.6 | 173.7 | -171.1 | -174.5 | -65 | 126.8 | -0.7 | 111.1 | I154 E155 E156 R160 G161 | I154-R158 WeakPolarHBondContact O-CB 3.47Å; I154-R158 PolarHBondContact O-N 3.25Å; E155-R158 WeakPolarHBondContact O-CB 3.45Å; E155-R158 PolarHBondContact O-N 2.93Å; E155-R158 VanDerWaalsContact O-N 3.13Å; E156-R158 VanDerWaalsContact C-N 3.29Å; E156-R158 PolarHBondContact O-N 3.49Å; R158-R160 VanDerWaalsContact C-N 3.26Å; R158-R160 PolarHBondContact O-N 3.09Å; R158-G161 PolarHBondContact O-N 3.3Å |
| 159 | R | 87.8 | Confident | 84.7 | Confident | 166 Ų | 166 | 107.6 Ų | 107.6 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.5 | -38.6 | 174.2 | -70.9 | 176 | -175.4 | -177.9 | -1.3 | 111.9 | E155 E156 G161 | E155-R159 WeakPolarHBondContact O-CG 3.32Å; E155-R159 PolarHBondContact O-N 3.05Å; E155-R159 IonicContact OE1-CZ 3.53Å; E155-R159 IonicContact OE1-NE 3.84Å; E155-R159 PolarHBondContact OE1-NE 2.9Å; E155-R159 IonicContact OE1-NH2 2.73Å; E155-R159 PolarHBondContact OE1-NH2 3.48Å; E156-R159 PolarHBondContact O-N 3.29Å; E156-R159 IonicContact OE1-CZ 3.49Å; E156-R159 IonicContact OE1-NE 3.16Å; E156-R159 IonicContact OE1-NH1 2.75Å; E156-R159 PolarHBondContact OE1-NH1 2.96Å; R159-G161 PolarHBondContact O-N 3.24Å |
| 160 | R | 87.8 | Confident | 84.4 | Confident | 191 Ų | 191 | 109.2 Ų | 109.2 | 72% | 0.721 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -7 | 176.4 | -67.7 | 173.9 | -173.1 | -148.1 | 1.6 | 114.1 | E156 R158 T162 | E156-R160 VanDerWaalsContact O-CG 3.29Å; E156-R160 WeakPolarHBondContact O-CG 2.95Å; E156-R160 PolarHBondContact O-N 3.42Å; R158-R160 VanDerWaalsContact C-N 3.26Å; R158-R160 PolarHBondContact O-N 3.09Å; R160-T162 HydrophobicContact CB-CG2 4.14Å; R160-T162 PolarHBondContact O-N 3.47Å |
| 161 | G | 84.6 | Confident | 84.1 | Confident | 61 Ų | 61 | 111.1 Ų | 111.1 | 63% | 0.629 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 8.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A157 R158 R159 R163 | A157-G161 PolarHBondContact O-N 3.45Å; R158-G161 PolarHBondContact O-N 3.3Å; R159-G161 PolarHBondContact O-N 3.24Å; G161-R163 VanDerWaalsContact C-N 3.29Å; G161-R163 PolarHBondContact O-N 3.11Å |
| 162 | T | 80.7 | Confident | 83.8 | Confident | 110 Ų | 110 | 113.3 Ų | 113.3 | 68% | 0.675 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -76.8 | -16.4 | 179.3 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | A157 R160 | A157-T162 WeakPolarHBondContact CA-OG1 3.25Å; A157-T162 PolarHBondContact O-N 3.47Å; A157-T162 VanDerWaalsContact O-N 3.07Å; A157-T162 PolarHBondContact O-OG1 3.18Å; R160-T162 HydrophobicContact CB-CG2 4.14Å; R160-T162 PolarHBondContact O-N 3.47Å |
| 163 | R | 66.5 | Low | 83.2 | Confident | 92 Ų | 92 | 113.5 Ų | 113.5 | 35% | 0.347 | 53% | 0.531 | S | S | . | . | trans | -139.4 | 127.7 | 178.9 | -170.2 | 170.6 | 173.1 | 172.5 | -7.2 | 109.5 | A157 G161 | A157-R163 HydrophobicContact CB-CB 4.24Å; A157-R163 PolarHBondContact O-N 3.44Å; G161-R163 VanDerWaalsContact C-N 3.29Å; G161-R163 PolarHBondContact O-N 3.11Å | ||
| 164 | K | 63.8 | Low | 82.7 | Confident | 258 Ų | 258 | 112.5 Ų | 112.5 | 100% | 1.122 | 52% | 0.524 | S | S | * | . | trans | -83.2 | 0 | 174.6 | -66.7 | -175.2 | -179.7 | -179 | 0 | 110.8 |
Retrieved 164 of 164 residues in 373.6 ms
(Link to these results)