| 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 | 36.3 | Very low | 43.8 | Very low | 240 Ų | 240 | 144.1 Ų | 144.1 | 100% | 1.182 | 81% | 0.812 | S | S | * | * | 0 | 123.5 | 0 | -65.4 | -177 | -79.1 | 0 | 0 | 106.9 | |||||
| 2 | E | 38.6 | Very low | 44.4 | Very low | 168 Ų | 168 | 145.7 Ų | 145.7 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | cis | -157.4 | 140.6 | -18.2 | -80.3 | -157.1 | 146.7 | 0 | 0 | 103.4 | V4 | E2-V4 HydrophobicContact CB-CG2 4.26Š| ||
| 3 | A | 39 | Very low | 45 | Very low | 99 Ų | 99 | 145.6 Ų | 145.6 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -110.7 | 98.1 | 165 | 0 | 0 | 0 | 0 | 0 | 106.8 | T5 | A3-T5 PolarHBondContact O-N 3.3Š| ||
| 4 | V | 45.2 | Very low | 45.5 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 72% | 0.715 | 81% | 0.808 | S | S | * | * | trans | -83.4 | 105.1 | 178.1 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | E2 | E2-V4 HydrophobicContact CB-CG2 4.26Š| ||
| 5 | T | 46 | Very low | 46.3 | Very low | 116 Ų | 116 | 146 Ų | 146 | 71% | 0.712 | 81% | 0.81 | S | S | * | * | trans | -82.7 | 110 | 170.6 | 40.9 | 0 | 0 | 0 | 0 | 109.6 | A3 | A3-T5 PolarHBondContact O-N 3.3Š| ||
| 6 | S | 44 | Very low | 46.4 | Very low | 108 Ų | 108 | 147.2 Ų | 147.2 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -86.8 | 108.7 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 7 | F | 44.1 | Very low | 46.7 | Very low | 190 Ų | 190 | 147.2 Ų | 147.2 | 83% | 0.833 | 81% | 0.81 | S | S | * | * | trans | -85.8 | 112.5 | 170.1 | -87.6 | -86.5 | 0 | 0 | 0 | 110.2 | ||||
| 8 | L | 47.9 | Very low | 46.8 | Very low | 160 Ų | 160 | 146.1 Ų | 146.1 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -83 | 110.4 | 168 | -93.1 | 158.9 | 0 | 0 | 0 | 109.1 | ||||
| 9 | V | 50.5 | Low | 47.1 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | -87.2 | 105.5 | 170.5 | -179 | 0 | 0 | 0 | 0 | 108 | S11 | V9-S11 PolarHBondContact O-N 3.36Š| ||
| 10 | L | 43.2 | Very low | 47.5 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -76 | 97.7 | 169.3 | -95 | 138.7 | 0 | 0 | 0 | 108.8 | L12 | L10-L12 PolarHBondContact O-N 3.21Š| ||
| 11 | S | 47.4 | Very low | 47.9 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | trans | -74.8 | 103.6 | 169.4 | 57 | 0 | 0 | 0 | 0 | 109.9 | V9 L13 | V9-S11 PolarHBondContact O-N 3.36Å; S11-L13 PolarHBondContact O-N 3.4Å | ||
| 12 | L | 50.4 | Low | 49.1 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | trans | -77.9 | 95.5 | 167.8 | -75 | 160.7 | 0 | 0 | 0 | 108.4 | L10 P14 | L10-L12 PolarHBondContact O-N 3.21Å; L12-P14 WeakPolarHBondContact O-CD 3.34Å | ||
| 13 | L | 52.5 | Low | 50.2 | Low | 145 Ų | 145 | 130.9 Ų | 130.9 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | -68 | 122.7 | 164 | -86.8 | 133.5 | 0 | 0 | 0 | 108.4 | S11 Q15 | S11-L13 PolarHBondContact O-N 3.4Å; L13-Q15 PolarHBondContact O-N 3.41Å | ||
| 14 | P | 52.2 | Low | 51.6 | Low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 73% | 0.726 | S | S | * | * | trans | -66.5 | 112.2 | 172.4 | 25 | -27.4 | 0 | 0 | 0 | 107.9 | L12 L16 | L12-P14 WeakPolarHBondContact O-CD 3.34Å; P14-L16 PolarHBondContact O-N 3.13Å | ||
| 15 | Q | 56.5 | Low | 53.2 | Low | 180 Ų | 180 | 125 Ų | 125 | 84% | 0.841 | 70% | 0.702 | S | S | * | * | trans | -64.6 | 108 | 168.3 | -70.3 | -176.4 | -11.6 | 0 | 0 | 107.3 | L13 I17 | L13-Q15 PolarHBondContact O-N 3.41Å; Q15-I17 VanDerWaalsContact C-N 3.34Å; Q15-I17 PolarHBondContact O-N 3.27Å | ||
| 16 | L | 49.3 | Very low | 55.1 | Low | 165 Ų | 165 | 124.5 Ų | 124.5 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | trans | -61.6 | 99.2 | 166 | -84.4 | 158.6 | 0 | 0 | 0 | 107.5 | P14 V18 | P14-L16 PolarHBondContact O-N 3.13Å; L16-V18 VanDerWaalsContact C-N 3.35Å; L16-V18 PolarHBondContact O-N 2.68Å | ||
| 17 | I | 51.3 | Low | 57.3 | Low | 147 Ų | 147 | 121.8 Ų | 121.8 | 75% | 0.754 | 68% | 0.677 | S | S | * | * | trans | -67.7 | 100 | 164.2 | -59.1 | 173.2 | 0 | 0 | 0 | 105.4 | Q15 S19 | Q15-I17 VanDerWaalsContact C-N 3.34Å; Q15-I17 PolarHBondContact O-N 3.27Å; I17-S19 PolarHBondContact O-N 2.9Å | ||
| 18 | V | 48.2 | Very low | 59.6 | Low | 127 Ų | 127 | 118.5 Ų | 118.5 | 77% | 0.77 | 66% | 0.659 | S | S | * | * | trans | -65.6 | 101.9 | 165.3 | 176.9 | 0 | 0 | 0 | 0 | 105.7 | L16 E20 | L16-V18 VanDerWaalsContact C-N 3.35Å; L16-V18 PolarHBondContact O-N 2.68Å; V18-E20 PolarHBondContact O-N 2.88Å | ||
| 19 | S | 51.5 | Low | 61.9 | Low | 96 Ų | 96 | 110.9 Ų | 110.9 | 67% | 0.671 | 62% | 0.619 | S | S | * | * | trans | -59.3 | 110.1 | 166.5 | -90.4 | 0 | 0 | 0 | 0 | 107.4 | I17 V21 | I17-S19 PolarHBondContact O-N 2.9Å; S19-V21 PolarHBondContact O-N 3.28Å | ||
| 20 | E | 55.7 | Low | 64.1 | Low | 182 Ų | 182 | 108.4 Ų | 108.4 | 85% | 0.85 | 60% | 0.604 | S | S | * | * | trans | -64.3 | 102.2 | 172.2 | -164.4 | 170.6 | -167.3 | 0 | 0 | 107.6 | V18 | V18-E20 PolarHBondContact O-N 2.88Š| ||
| 21 | V | 57.1 | Low | 66.7 | Low | 59 Ų | 59 | 101.6 Ų | 101.6 | 36% | 0.358 | 57% | 0.569 | S | S | . | * | trans | -67.6 | 124.7 | -176.7 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | S19 T23 V101 | S19-V21 PolarHBondContact O-N 3.28Å; V21-T23 PolarHBondContact O-N 3.2Å; V21-T23 PolarHBondContact O-OG1 3.3Å; V21-V101 HydrophobicContact CB-CG1 4.28Å; V21-V101 HydrophobicContact CG1-CB 3.94Å; V21-V101 HydrophobicContact CG1-CG1 3.75Å; V21-V101 HydrophobicContact CG2-CG1 3.53Å | ||
| 22 | P | 61.3 | Low | 68.9 | Low | 96 Ų | 96 | 101.6 Ų | 101.6 | 62% | 0.623 | 56% | 0.559 | S | S | * | * | trans | -62.3 | 106.8 | -176.5 | 22.8 | -31.5 | 0 | 0 | 0 | 109.9 | S24 | P22-S24 PolarHBondContact O-N 3.39Š| ||
| 23 | T | 61.7 | Low | 71 | Confident | 94 Ų | 94 | 96 Ų | 96 | 58% | 0.577 | 53% | 0.529 | S | S | * | . | trans | -77.9 | -5 | -179 | -29.3 | 0 | 0 | 0 | 0 | 111.6 | V21 S103 K105 | V21-T23 PolarHBondContact O-N 3.2Å; V21-T23 PolarHBondContact O-OG1 3.3Å; T23-S103 WeakPolarHBondContact CG2-O 3.38Å; T23-K105 PolarHBondContact O-N 3.02Å | ||
| 24 | S | 68.4 | Low | 73 | Confident | 60 Ų | 60 | 92.5 Ų | 92.5 | 42% | 0.42 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 144.6 | -177.2 | -167.5 | 0 | 0 | 0 | 0 | 114.6 | P22 K105 | P22-S24 PolarHBondContact O-N 3.39Å; S24-K105 CarbonylContact C-O 3.45Å; S24-K105 WeakPolarHBondContact CA-O 3.23Å; S24-K105 WeakPolarHBondContact CB-O 3.31Å; S24-K105 PolarHBondContact OG-O 3.24Å |
| 25 | T | 78.1 | Confident | 75.1 | Confident | 34 Ų | 34 | 89.3 Ų | 89.3 | 21% | 0.209 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 162.9 | 170.7 | 65.4 | 0 | 0 | 0 | 0 | 112 | Y27 W60 I104 K105 T106 | T25-Y27 HydrophobicContact CG2-CD2 4.28Å; T25-Y27 PolarHBondContact O-N 2.93Å; T25-Y27 PolarHBondContact OG1-N 3.2Å; T25-W60 HydrophobicContact CG2-CH2 3.94Å; T25-I104 HydrophobicContact CG2-CG2 3.43Å; T25-I104 VanDerWaalsContact CG2-CG2 3.43Å; T25-K105 PolarHBondContact N-O 2.77Å; T25-T106 WeakPolarHBondContact OG1-CA 3.37Å |
| 26 | S | 85.3 | Confident | 76.8 | Confident | 106 Ų | 106 | 82.9 Ų | 82.9 | 74% | 0.741 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | -11.6 | 171.3 | 56.7 | 0 | 0 | 0 | 0 | 113.8 | R28 | S26-R28 PolarHBondContact O-N 2.84Å |
| 27 | Y | 90.1 | Very high | 78.9 | Confident | 51 Ų | 51 | 77.5 Ų | 77.5 | 20% | 0.2 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 133 | 179.7 | -53.5 | -42.4 | 0 | 0 | 0 | 110.6 | T25 D54 P55 W60 T106 L107 | T25-Y27 HydrophobicContact CG2-CD2 4.28Å; T25-Y27 PolarHBondContact O-N 2.93Å; T25-Y27 PolarHBondContact OG1-N 3.2Å; Y27-D54 HydrophobicContact CD2-CB 4.11Å; Y27-D54 HydrophobicContact CE2-CB 3.92Å; Y27-D54 WeakPolarHBondContact CE2-OD1 3.22Å; Y27-D54 PolarHBondContact OH-OD1 2.77Å; Y27-P55 HydrophobicContact CE1-CG 4.46Å; Y27-P55 WeakPolarHBondContact OH-CD 3.27Å; Y27-W60 HydrophobicContact CD2-CZ2 4.19Å; Y27-W60 HydrophobicContact CE2-CZ2 4.44Å; Y27-T106 WeakPolarHBondContact O-CB 3.3Å; Y27-L107 PolarHBondContact O-N 3.38Å |
| 28 | R | 93.8 | Very high | 80.8 | Confident | 120 Ų | 120 | 71.5 Ų | 71.5 | 45% | 0.453 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122 | 171.9 | -178.1 | 178.9 | -65 | -80.9 | 4.7 | 109.5 | S26 P53 L107 R108 | S26-R28 PolarHBondContact O-N 2.84Å; R28-P53 WeakPolarHBondContact O-CD 3.33Å; R28-P53 WeakPolarHBondContact O-CG 3.25Å; R28-L107 HydrophobicContact CB-CB 4.15Å; R28-L107 HydrophobicContact CG-CB 4.33Å; R28-R108 PolarHBondContact NH1-O 3.16Å |
| 29 | A | 96.1 | Very high | 83.1 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | trans | -64.5 | 156.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I51 I52 L107 S109 | A29-I51 CarbonylContact C-O 3.51Å; A29-I51 VanDerWaalsContact CA-O 3.3Å; A29-I51 WeakPolarHBondContact CA-O 3.46Å; A29-I52 HydrophobicContact CB-CG1 4.38Å; A29-L107 PolarHBondContact N-O 2.89Å; A29-L107 VanDerWaalsContact N-O 3.09Å; A29-S109 WeakPolarHBondContact O-CA 3.44Å; A29-S109 WeakPolarHBondContact O-CB 3.38Å | ||
| 30 | V | 96 | Very high | 85.2 | Confident | 77 Ų | 77 | 61.9 Ų | 61.9 | 47% | 0.467 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.8 | 179.8 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | C50 I51 | V30-C50 CarbonylContact O-C 3.58Å; V30-C50 WeakPolarHBondContact O-CA 3.32Å; V30-I51 HydrophobicContact CB-CB 4.42Å; V30-I51 PolarHBondContact N-O 3.02Å; V30-I51 PolarHBondContact O-N 3.28Å |
| 31 | V | 96.9 | Very high | 87.1 | Confident | 17 Ų | 17 | 53.5 Ų | 53.5 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.9 | 174.5 | 173.5 | 0 | 0 | 0 | 0 | 109 | L48 R49 W64 C93 S109 Y112 | V31-L48 HydrophobicContact CG1-CB 4.12Å; V31-L48 HydrophobicContact CG1-CD1 4.13Å; V31-L48 HydrophobicContact CG1-CD2 4.25Å; V31-L48 HydrophobicContact CG1-CG 4.4Å; V31-R49 WeakPolarHBondContact CA-O 3.16Å; V31-W64 HydrophobicContact CG1-CH2 4.22Å; V31-W64 HydrophobicContact CG1-CZ3 4.09Å; V31-W64 HydrophobicContact CG2-CH2 4.09Å; V31-W64 HydrophobicContact CG2-CZ3 3.74Å; V31-C93 HydrophobicContact CG2-CB 4.07Å; V31-S109 WeakPolarHBondContact CG2-OG 3.42Å; V31-Y112 HydrophobicContact CG1-CD1 4.45Å; V31-Y112 HydrophobicContact CG1-CG 4.04Å |
| 32 | E | 94.8 | Very high | 89.1 | Confident | 96 Ų | 96 | 52.7 Ų | 52.7 | 45% | 0.449 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 145.3 | 174.4 | -174.5 | 178 | -157 | 0 | 0 | 110 | L48 R49 I51 | E32-L48 CarbonylContact O-C 3.59Å; E32-L48 VanDerWaalsContact O-CA 3.27Å; E32-L48 WeakPolarHBondContact O-CA 3.42Å; E32-R49 PolarHBondContact N-O 3.3Å; E32-R49 PolarHBondContact O-N 2.98Å; E32-I51 HydrophobicContact CB-CD1 4.2Å; E32-I51 WeakPolarHBondContact OE2-CD1 3.03Å |
| 33 | I | 94.3 | Very high | 90.7 | Very high | 45 Ų | 45 | 50 Ų | 50 | 23% | 0.231 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.3 | 170.6 | -168.5 | 163.9 | 0 | 0 | 0 | 109.7 | G36 L48 Y112 | I33-G36 WeakPolarHBondContact CD1-O 3.49Å; I33-L48 HydrophobicContact CB-CD2 4.12Å; I33-L48 HydrophobicContact CG1-CD2 4.17Å; I33-Y112 HydrophobicContact CB-CE1 4.28Å |
| 34 | V | 95.4 | Very high | 92.4 | Very high | 72 Ų | 72 | 48.1 Ų | 48.1 | 44% | 0.436 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -39.1 | 179.6 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | S47 R49 I77 | V34-S47 PolarHBondContact N-O 2.81Å; V34-R49 HydrophobicContact CG2-CB 3.43Å; V34-R49 VanDerWaalsContact CG2-CB 3.43Å; V34-I77 HydrophobicContact CG2-CD1 4.16Å |
| 35 | S | 95 | Very high | 93.8 | Very high | 51 Ų | 51 | 52.8 Ų | 52.8 | 36% | 0.357 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 150.3 | 178.9 | 67.2 | 0 | 0 | 0 | 0 | 111.2 | L46 S47 | S35-L46 WeakPolarHBondContact O-CA 3.11Å; S35-L46 WeakPolarHBondContact O-CB 3.31Å; S35-S47 PolarHBondContact N-O 3.02Å; S35-S47 PolarHBondContact O-N 3.29Å; S35-S47 WeakPolarHBondContact OG-CB 3.27Å; S35-S47 PolarHBondContact OG-OG 3.33Å |
| 36 | G | 92.6 | Very high | 94.7 | Very high | 45 Ų | 45 | 51.2 Ų | 51.2 | 46% | 0.464 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 86 | -161.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I33 | I33-G36 WeakPolarHBondContact CD1-O 3.49Š|
| 37 | D | 92.8 | Very high | 95.2 | Very high | 51 Ų | 51 | 46.8 Ų | 46.8 | 27% | 0.273 | 26% | 0.255 | S | S | . | . | trans | -129.2 | 165.4 | -178.4 | -76.6 | -71.8 | 0 | 0 | 0 | 111.2 | R39 I40 Q124 | D37-R39 PolarHBondContact O-N 2.81Å; D37-I40 HydrophobicContact CB-CG2 4.26Å; D37-I40 WeakPolarHBondContact O-CG2 3.42Å; D37-Q124 VanDerWaalsContact CB-NE2 3.3Å; D37-Q124 PolarHBondContact OD2-NE2 3.5Å; D37-Q124 PolarHBondContact OD2-OE1 2.74Å | ||
| 38 | S | 92.4 | Very high | 95.6 | Very high | 21 Ų | 21 | 44.3 Ų | 44.3 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -63.7 | -25.4 | 172 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | I114 H115 | S38-I114 WeakPolarHBondContact O-CA 3.45Å; S38-H115 PolarHBondContact O-N 2.93Å |
| 39 | R | 94.9 | Very high | 95.8 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 7% | 0.072 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 112.8 | 180 | -162.4 | 163.3 | -137.4 | -142.8 | -10.9 | 108.1 | D37 H115 I122 L123 Q124 V201 T203 | D37-R39 PolarHBondContact O-N 2.81Å; R39-H115 WeakPolarHBondContact CA-O 3.36Å; R39-H115 HydrophobicContact CG-CB 4.15Å; R39-H115 PolarHBondContact NE-CD2 3.43Å; R39-H115 PolarHBondContact NH2-CD2 2.87Å; R39-H115 VanDerWaalsContact NH2-CD2 3.32Å; R39-H115 PolarHBondContact NH2-NE2 3.12Å; R39-I122 HydrophobicContact CG-CB 4.37Å; R39-I122 HydrophobicContact CG-CG2 4.47Å; R39-I122 WeakPolarHBondContact O-CD1 3.38Å; R39-L123 WeakPolarHBondContact CD-O 3.4Å; R39-Q124 PolarHBondContact O-NE2 2.81Å; R39-V201 PolarHBondContact NH1-O 2.78Å; R39-T203 PolarHBondContact NH1-OG1 2.89Å |
| 40 | I | 95.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 162.2 | -174.8 | 57.6 | 161.1 | 0 | 0 | 0 | 110.2 | D37 E44 L46 L80 A83 H115 V116 D117 | D37-I40 HydrophobicContact CB-CG2 4.26Å; D37-I40 WeakPolarHBondContact O-CG2 3.42Å; I40-E44 HydrophobicContact CB-CB 4.21Å; I40-E44 HydrophobicContact CD1-CB 4.21Å; I40-L46 HydrophobicContact CD1-CD2 3.78Å; I40-L46 HydrophobicContact CD1-CG 4.28Å; I40-L46 HydrophobicContact CG1-CD2 4.25Å; I40-L46 HydrophobicContact CG2-CD2 4.45Å; I40-L80 HydrophobicContact CD1-CD2 4.44Å; I40-A83 HydrophobicContact CD1-CB 3.58Å; I40-H115 PolarHBondContact N-O 2.82Å; I40-V116 HydrophobicContact CD1-CG2 4.23Å; I40-V116 HydrophobicContact CG1-CG2 4.14Å; I40-V116 CarbonylContact O-C 3.5Å; I40-V116 WeakPolarHBondContact O-CA 3.34Å; I40-D117 PolarHBondContact O-N 3.22Å |
| 41 | F | 97.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 154 | 169.7 | -72.8 | -58.8 | 0 | 0 | 0 | 111.5 | G43 E44 D117 G119 I122 R141 R143 | F41-G43 PolarHBondContact O-N 2.82Å; F41-E44 HydrophobicContact CB-CG 3.92Å; F41-E44 PolarHBondContact N-OE2 3.38Å; F41-E44 WeakPolarHBondContact O-CB 3.47Å; F41-E44 WeakPolarHBondContact O-CG 3.29Å; F41-E44 PolarHBondContact O-N 3.33Å; F41-E44 VanDerWaalsContact O-N 3.16Å; F41-D117 CarbonylContact C-O 3.55Å; F41-D117 WeakPolarHBondContact CA-O 3.43Å; F41-G119 WeakPolarHBondContact CE1-O 3.48Å; F41-I122 HydrophobicContact CD1-CD1 4.4Å; F41-I122 HydrophobicContact CD1-CG2 3.94Å; F41-I122 HydrophobicContact CD2-CD1 4.02Å; F41-I122 HydrophobicContact CE1-CB 4.31Å; F41-I122 HydrophobicContact CE1-CD1 4.35Å; F41-I122 HydrophobicContact CE1-CG1 4.15Å; F41-I122 HydrophobicContact CE1-CG2 3.57Å; F41-I122 HydrophobicContact CE2-CD1 3.96Å; F41-I122 HydrophobicContact CE2-CG1 4Å; F41-I122 HydrophobicContact CG-CD1 4.25Å; F41-I122 HydrophobicContact CZ-CB 4.34Å; F41-I122 HydrophobicContact CZ-CD1 4.13Å; F41-I122 HydrophobicContact CZ-CG1 3.78Å; F41-I122 HydrophobicContact CZ-CG2 4.09Å; F41-R141 HydrophobicContact CE2-CB 4.28Å; F41-R141 WeakPolarHBondContact CZ-O 3.3Å; F41-R143 HydrophobicContact CD2-CB 4.45Å; F41-R143 HydrophobicContact CE1-CB 4.25Å; F41-R143 HydrophobicContact CE2-CB 4.02Å; F41-R143 HydrophobicContact CZ-CB 3.92Å |
| 42 | S | 97.3 | Very high | 95.7 | Very high | 42 Ų | 42 | 42.7 Ų | 42.7 | 29% | 0.294 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 137.8 | 165.4 | 65.1 | 0 | 0 | 0 | 0 | 110.5 | E44 A83 D117 R143 | S42-E44 VanDerWaalsContact C-N 3.33Å; S42-A83 CarbonylContact C-O 3.51Å; S42-A83 WeakPolarHBondContact CA-O 3.31Å; S42-D117 PolarHBondContact N-O 2.81Å; S42-R143 PolarHBondContact O-NH2 3.45Å; S42-R143 PolarHBondContact OG-NH2 2.66Å |
| 43 | G | 96.6 | Very high | 95.6 | Very high | 40 Ų | 40 | 41.5 Ų | 41.5 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -12.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F41 N82 A83 | F41-G43 PolarHBondContact O-N 2.82Å; G43-N82 WeakPolarHBondContact CA-OD1 3.29Å; G43-A83 PolarHBondContact N-O 2.82Å |
| 44 | E | 97.1 | Very high | 95.2 | Very high | 54 Ų | 54 | 40.1 Ų | 40.1 | 25% | 0.252 | 23% | 0.228 | S | C | . | . | trans | -78.8 | 173.2 | 176.2 | -61.9 | -161.7 | 108.7 | 0 | 0 | 112.6 | I40 F41 S42 N82 A83 R141 | I40-E44 HydrophobicContact CB-CB 4.21Å; I40-E44 HydrophobicContact CD1-CB 4.21Å; F41-E44 HydrophobicContact CB-CG 3.92Å; F41-E44 PolarHBondContact N-OE2 3.38Å; F41-E44 WeakPolarHBondContact O-CB 3.47Å; F41-E44 WeakPolarHBondContact O-CG 3.29Å; F41-E44 PolarHBondContact O-N 3.33Å; F41-E44 VanDerWaalsContact O-N 3.16Å; S42-E44 VanDerWaalsContact C-N 3.33Å; E44-N82 PolarHBondContact O-N 3.05Å; E44-A83 VanDerWaalsContact O-CB 3.31Å; E44-A83 WeakPolarHBondContact O-CB 3.38Å; E44-A83 PolarHBondContact O-N 2.84Å; E44-R141 VanDerWaalsContact CD-NH2 3.26Å; E44-R141 IonicContact OE1-CZ 3.76Å; E44-R141 IonicContact OE1-NH1 2.73Å; E44-R141 IonicContact OE1-NH2 3.81Å; E44-R141 PolarHBondContact OE1-NH2 2.85Å; E44-R141 IonicContact OE2-CZ 3.81Å; E44-R141 IonicContact OE2-NH2 2.68Å; E44-R141 PolarHBondContact OE2-NH2 3.49Å | ||
| 45 | R | 96.9 | Very high | 94.7 | Very high | 157 Ų | 157 | 41 Ų | 41 | 59% | 0.592 | 24% | 0.235 | S | C | * | . | trans | -121.3 | 148.7 | 175.9 | 66.7 | -179.8 | -177.9 | 179.1 | -0.8 | 111.3 | L80 W81 | R45-L80 WeakPolarHBondContact CA-O 3.37Å; R45-L80 WeakPolarHBondContact CB-O 3.43Å; R45-W81 HydrophobicContact CB-CE3 4.26Å | ||
| 46 | L | 96.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 157.9 | 167 | 65.4 | 78.3 | 0 | 0 | 0 | 110.2 | S35 I40 L48 L80 I114 | S35-L46 WeakPolarHBondContact O-CA 3.11Å; S35-L46 WeakPolarHBondContact O-CB 3.31Å; I40-L46 HydrophobicContact CD1-CD2 3.78Å; I40-L46 HydrophobicContact CD1-CG 4.28Å; I40-L46 HydrophobicContact CG1-CD2 4.25Å; I40-L46 HydrophobicContact CG2-CD2 4.45Å; L46-L48 HydrophobicContact CD1-CD1 4.36Å; L46-L48 HydrophobicContact CD1-CD2 4.1Å; L46-L48 HydrophobicContact CD1-CG 3.82Å; L46-L80 HydrophobicContact CD1-CB 4.02Å; L46-L80 HydrophobicContact CG-CB 4.02Å; L46-L80 HydrophobicContact CG-CD2 4.42Å; L46-L80 PolarHBondContact N-O 2.85Å; L46-L80 VanDerWaalsContact N-O 3.12Å; L46-L80 PolarHBondContact O-N 3.47Å; L46-I114 HydrophobicContact CD2-CD1 3.88Å; L46-I114 HydrophobicContact CD2-CG1 4.25Å; L46-I114 HydrophobicContact CD2-CG2 3.68Å |
| 47 | S | 97.4 | Very high | 93.6 | Very high | 13 Ų | 13 | 54 Ų | 54 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 131.8 | 176.3 | -60.8 | 0 | 0 | 0 | 0 | 110.3 | V34 S35 F78 | V34-S47 PolarHBondContact N-O 2.81Å; S35-S47 PolarHBondContact N-O 3.02Å; S35-S47 PolarHBondContact O-N 3.29Å; S35-S47 WeakPolarHBondContact OG-CB 3.27Å; S35-S47 PolarHBondContact OG-OG 3.33Å; S47-F78 CarbonylContact C-O 3.48Å; S47-F78 WeakPolarHBondContact CA-O 3.47Å |
| 48 | L | 97.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 142.8 | 174.2 | -57.6 | 177.8 | 0 | 0 | 0 | 109.4 | V31 E32 I33 L46 W64 I77 F78 Y91 Y112 I114 | V31-L48 HydrophobicContact CG1-CB 4.12Å; V31-L48 HydrophobicContact CG1-CD1 4.13Å; V31-L48 HydrophobicContact CG1-CD2 4.25Å; V31-L48 HydrophobicContact CG1-CG 4.4Å; E32-L48 CarbonylContact O-C 3.59Å; E32-L48 VanDerWaalsContact O-CA 3.27Å; E32-L48 WeakPolarHBondContact O-CA 3.42Å; I33-L48 HydrophobicContact CB-CD2 4.12Å; I33-L48 HydrophobicContact CG1-CD2 4.17Å; L46-L48 HydrophobicContact CD1-CD1 4.36Å; L46-L48 HydrophobicContact CD1-CD2 4.1Å; L46-L48 HydrophobicContact CD1-CG 3.82Å; L48-W64 HydrophobicContact CB-CH2 3.6Å; L48-W64 HydrophobicContact CB-CZ2 4.43Å; L48-W64 HydrophobicContact CB-CZ3 3.96Å; L48-W64 HydrophobicContact CD1-CZ3 4.16Å; L48-I77 CarbonylContact O-C 3.59Å; L48-I77 VanDerWaalsContact O-CA 3.28Å; L48-I77 WeakPolarHBondContact O-CA 3.21Å; L48-F78 HydrophobicContact CB-CB 4.45Å; L48-F78 HydrophobicContact CD1-CD1 4.27Å; L48-F78 PolarHBondContact N-O 2.9Å; L48-F78 PolarHBondContact O-N 2.93Å; L48-Y91 HydrophobicContact CD1-CD1 4.35Å; L48-Y91 HydrophobicContact CD1-CG 4.14Å; L48-Y112 HydrophobicContact CD2-CD1 4.02Å; L48-Y112 HydrophobicContact CD2-CE1 4.02Å; L48-I114 HydrophobicContact CD2-CD1 4.44Å |
| 49 | R | 97.6 | Very high | 93 | Very high | 94 Ų | 94 | 57.3 Ų | 57.3 | 36% | 0.355 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 138.4 | 172.6 | 177.3 | 175.9 | -79.6 | 163.8 | -1 | 109.9 | V31 E32 V34 I51 E76 I77 | V31-R49 WeakPolarHBondContact CA-O 3.16Å; E32-R49 PolarHBondContact N-O 3.3Å; E32-R49 PolarHBondContact O-N 2.98Å; V34-R49 HydrophobicContact CG2-CB 3.43Å; V34-R49 VanDerWaalsContact CG2-CB 3.43Å; R49-I51 HydrophobicContact CG-CG1 4.03Å; R49-E76 CarbonylContact C-O 3.59Å; R49-E76 WeakPolarHBondContact CA-O 3.21Å; R49-E76 WeakPolarHBondContact CD-OE1 3.41Å; R49-E76 HydrophobicContact CG-CG 4.12Å; R49-E76 WeakPolarHBondContact CG-OE1 3.4Å; R49-E76 IonicContact CZ-OE1 2.66Å; R49-E76 IonicContact NE-OE1 3.71Å; R49-E76 PolarHBondContact NE-OE1 2.84Å; R49-I77 HydrophobicContact CB-CD1 3.65Å; R49-I77 HydrophobicContact CG-CD1 3.86Å |
| 50 | C | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 117.8 | 169.6 | -170.9 | 0 | 0 | 0 | 0 | 109.8 | V30 Y62 W64 E76 C93 | V30-C50 CarbonylContact O-C 3.58Å; V30-C50 WeakPolarHBondContact O-CA 3.32Å; C50-Y62 HydrophobicContact CB-CD1 3.68Å; C50-Y62 HydrophobicContact CB-CE1 4.08Å; C50-Y62 WeakPolarHBondContact O-CE1 3.45Å; C50-W64 HydrophobicContact CB-CH2 4.06Å; C50-W64 HydrophobicContact CB-CZ2 3.61Å; C50-E76 PolarHBondContact N-O 3.05Å; C50-E76 WeakPolarHBondContact O-CG 3.25Å; C50-C93 VanDerWaalsContact CA-SG 3.55Å; C50-C93 HydrophobicContact CB-CB 3.57Å; C50-C93 WeakPolarHBondContact CB-SG 3.35Å; C50-C93 WeakPolarHBondContact SG-CB 3.05Å; C50-C93 CovalentContact SG-SG 2.03Å; C50-C93 PolarHBondContact SG-SG 2.73Å |
| 51 | I | 95.6 | Very high | 92.8 | Very high | 65 Ų | 65 | 59.3 Ų | 59.3 | 33% | 0.333 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 127.8 | 178.4 | -59.3 | 173.7 | 0 | 0 | 0 | 108.5 | A29 V30 E32 R49 | A29-I51 CarbonylContact C-O 3.51Å; A29-I51 VanDerWaalsContact CA-O 3.3Å; A29-I51 WeakPolarHBondContact CA-O 3.46Å; V30-I51 HydrophobicContact CB-CB 4.42Å; V30-I51 PolarHBondContact N-O 3.02Å; V30-I51 PolarHBondContact O-N 3.28Å; E32-I51 HydrophobicContact CB-CD1 4.2Å; E32-I51 WeakPolarHBondContact OE2-CD1 3.03Å; R49-I51 HydrophobicContact CG-CG1 4.03Å |
| 52 | I | 94.7 | Very high | 92.8 | Very high | 21 Ų | 21 | 61.1 Ų | 61.1 | 11% | 0.108 | 33% | 0.326 | C | S | . | . | trans | -107.3 | 115.3 | 172.6 | -60.3 | 164.4 | 0 | 0 | 0 | 106.9 | A29 D54 W60 Y62 G95 T106 | A29-I52 HydrophobicContact CB-CG1 4.38Å; I52-D54 HydrophobicContact CG2-CB 3.99Å; I52-D54 PolarHBondContact O-N 2.9Å; I52-W60 HydrophobicContact CD1-CB 3.44Å; I52-W60 VanDerWaalsContact CD1-CB 3.44Å; I52-W60 HydrophobicContact CD1-CD2 3.83Å; I52-W60 HydrophobicContact CD1-CE3 4.43Å; I52-W60 HydrophobicContact CD1-CG 3.34Å; I52-Y62 HydrophobicContact CD1-CD1 4.18Å; I52-Y62 HydrophobicContact CD1-CE1 3.64Å; I52-Y62 HydrophobicContact CG1-CE1 4.16Å; I52-G95 VanDerWaalsContact CD1-CA 3.48Å; I52-T106 HydrophobicContact CD1-CG2 4.39Å; I52-T106 HydrophobicContact CG1-CG2 4.43Å; I52-T106 HydrophobicContact CG2-CG2 3.77Å | ||
| 53 | P | 91.1 | Very high | 92.8 | Very high | 72 Ų | 72 | 60 Ų | 60 | 47% | 0.468 | 32% | 0.317 | S | S | . | . | trans | -77.3 | 59.3 | -179.5 | 33.7 | -36.1 | 0 | 0 | 0 | 110.6 | R28 | R28-P53 WeakPolarHBondContact O-CD 3.33Å; R28-P53 WeakPolarHBondContact O-CG 3.25Å | ||
| 54 | D | 87.6 | Confident | 92.9 | Very high | 15 Ų | 15 | 58.2 Ų | 58.2 | 8% | 0.08 | 30% | 0.298 | C | S | . | . | trans | -91.1 | 113.4 | 177.3 | 178 | 14.7 | 0 | 0 | 0 | 109.3 | Y27 I52 Y56 Q57 A58 W60 | Y27-D54 HydrophobicContact CD2-CB 4.11Å; Y27-D54 HydrophobicContact CE2-CB 3.92Å; Y27-D54 WeakPolarHBondContact CE2-OD1 3.22Å; Y27-D54 PolarHBondContact OH-OD1 2.77Å; I52-D54 HydrophobicContact CG2-CB 3.99Å; I52-D54 PolarHBondContact O-N 2.9Å; D54-Y56 PolarHBondContact O-N 2.87Å; D54-Y56 VanDerWaalsContact O-N 3.13Å; D54-Y56 PolarHBondContact OD1-N 2.9Å; D54-Y56 VanDerWaalsContact OD1-N 3.13Å; D54-Q57 PolarHBondContact O-N 3.39Å; D54-A58 VanDerWaalsContact OD2-CB 3.23Å; D54-A58 WeakPolarHBondContact OD2-CB 3.49Å; D54-A58 PolarHBondContact OD2-N 2.88Å; D54-W60 PolarHBondContact OD2-NE1 2.8Å | ||
| 55 | P | 83.3 | Confident | 93 | Very high | 92 Ų | 92 | 56.6 Ų | 56.6 | 60% | 0.597 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21.5 | -179.7 | 26 | -34.8 | 0 | 0 | 0 | 113.1 | Y27 | Y27-P55 HydrophobicContact CE1-CG 4.46Å; Y27-P55 WeakPolarHBondContact OH-CD 3.27Å |
| 56 | Y | 85.9 | Confident | 93 | Very high | 192 Ų | 192 | 53 Ų | 53 | 75% | 0.753 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 1 | 179.7 | -54.7 | -73.7 | 0 | 0 | 0 | 113.3 | D54 A58 | D54-Y56 PolarHBondContact O-N 2.87Å; D54-Y56 VanDerWaalsContact O-N 3.13Å; D54-Y56 PolarHBondContact OD1-N 2.9Å; D54-Y56 VanDerWaalsContact OD1-N 3.13Å; Y56-A58 PolarHBondContact O-N 2.83Å; Y56-A58 VanDerWaalsContact O-N 3.12Å |
| 57 | Q | 79.8 | Confident | 93 | Very high | 175 Ų | 175 | 54.6 Ų | 54.6 | 82% | 0.818 | 29% | 0.294 | S | S | * | . | trans | 46.8 | 43.1 | 177.9 | -59 | 179.9 | 15.7 | 0 | 0 | 112.9 | D54 | D54-Q57 PolarHBondContact O-N 3.39Š| ||
| 58 | A | 82.8 | Confident | 92.9 | Very high | 29 Ų | 29 | 59.2 Ų | 59.2 | 24% | 0.24 | 33% | 0.326 | C | S | . | . | trans | -61.9 | 152.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D54 Y56 W60 | D54-A58 VanDerWaalsContact OD2-CB 3.23Å; D54-A58 WeakPolarHBondContact OD2-CB 3.49Å; D54-A58 PolarHBondContact OD2-N 2.88Å; Y56-A58 PolarHBondContact O-N 2.83Å; Y56-A58 VanDerWaalsContact O-N 3.12Å; A58-W60 PolarHBondContact O-N 2.95Å | ||
| 59 | S | 88.6 | Confident | 92.9 | Very high | 113 Ų | 113 | 63.5 Ų | 63.5 | 79% | 0.79 | 35% | 0.352 | S | S | * | . | trans | -70.7 | 114 | 169.9 | -173 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 60 | W | 92.9 | Very high | 92.9 | Very high | 26 Ų | 26 | 64.1 Ų | 64.1 | 10% | 0.098 | 36% | 0.359 | C | S | . | . | trans | -107.5 | 140.3 | 179.1 | -68.5 | 96.9 | 0 | 0 | 0 | 110.5 | T25 Y27 I52 D54 A58 Y62 K97 I104 T106 | T25-W60 HydrophobicContact CG2-CH2 3.94Å; Y27-W60 HydrophobicContact CD2-CZ2 4.19Å; Y27-W60 HydrophobicContact CE2-CZ2 4.44Å; I52-W60 HydrophobicContact CD1-CB 3.44Å; I52-W60 VanDerWaalsContact CD1-CB 3.44Å; I52-W60 HydrophobicContact CD1-CD2 3.83Å; I52-W60 HydrophobicContact CD1-CE3 4.43Å; I52-W60 HydrophobicContact CD1-CG 3.34Å; D54-W60 PolarHBondContact OD2-NE1 2.8Å; A58-W60 PolarHBondContact O-N 2.95Å; W60-Y62 HydrophobicContact CB-CE2 4.44Å; W60-Y62 WeakPolarHBondContact O-CD2 3.35Å; W60-Y62 WeakPolarHBondContact O-CE2 3.42Å; W60-K97 HydrophobicContact CE3-CB 3.7Å; W60-K97 HydrophobicContact CH2-CB 4.48Å; W60-K97 HydrophobicContact CZ3-CB 3.66Å; W60-I104 HydrophobicContact CH2-CG2 4.38Å; W60-T106 HydrophobicContact CE3-CG2 4.24Å; W60-T106 HydrophobicContact CH2-CG2 3.98Å; W60-T106 HydrophobicContact CZ2-CG2 4.28Å; W60-T106 HydrophobicContact CZ3-CG2 3.95Å | ||
| 61 | G | 95.4 | Very high | 92.9 | Very high | 38 Ų | 38 | 65.1 Ų | 65.1 | 39% | 0.392 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 154.7 | 156.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | G95 K96 | G61-G95 CarbonylContact O-C 3.52Å; G61-G95 WeakPolarHBondContact O-CA 3.18Å; G61-K96 VanDerWaalsContact CA-O 3.28Å; G61-K96 WeakPolarHBondContact CA-O 3.47Å; G61-K96 PolarHBondContact N-O 2.92Å; G61-K96 PolarHBondContact O-N 3.42Å |
| 62 | Y | 96.9 | Very high | 92.9 | Very high | 44 Ų | 44 | 68 Ų | 68 | 17% | 0.173 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 130.5 | -174 | -62 | -93 | 0 | 0 | 0 | 111.4 | C50 I52 W60 T74 G75 E76 | C50-Y62 HydrophobicContact CB-CD1 3.68Å; C50-Y62 HydrophobicContact CB-CE1 4.08Å; C50-Y62 WeakPolarHBondContact O-CE1 3.45Å; I52-Y62 HydrophobicContact CD1-CD1 4.18Å; I52-Y62 HydrophobicContact CD1-CE1 3.64Å; I52-Y62 HydrophobicContact CG1-CE1 4.16Å; W60-Y62 HydrophobicContact CB-CE2 4.44Å; W60-Y62 WeakPolarHBondContact O-CD2 3.35Å; W60-Y62 WeakPolarHBondContact O-CE2 3.42Å; Y62-T74 WeakPolarHBondContact O-CA 3.24Å; Y62-T74 WeakPolarHBondContact O-CB 3.45Å; Y62-G75 WeakPolarHBondContact CB-O 3.45Å; Y62-G75 PolarHBondContact O-N 2.81Å; Y62-E76 HydrophobicContact CD2-CB 4.03Å; Y62-E76 VanDerWaalsContact CD2-N 3.35Å; Y62-E76 HydrophobicContact CE1-CB 4.27Å; Y62-E76 HydrophobicContact CE1-CG 4.02Å; Y62-E76 HydrophobicContact CE2-CB 3.71Å; Y62-E76 HydrophobicContact CE2-CG 4.16Å; Y62-E76 HydrophobicContact CG-CB 4.44Å |
| 63 | L | 97.7 | Very high | 93 | Very high | 20 Ų | 20 | 70.7 Ų | 70.7 | 11% | 0.105 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.1 | 175.4 | -56.1 | 178.2 | 0 | 0 | 0 | 109.4 | F65 C93 Q94 K96 | L63-F65 HydrophobicContact CB-CE2 3.68Å; L63-F65 HydrophobicContact CB-CZ 3.94Å; L63-F65 HydrophobicContact CD1-CZ 4.32Å; L63-C93 CarbonylContact O-C 3.45Å; L63-C93 VanDerWaalsContact O-CA 3.23Å; L63-C93 WeakPolarHBondContact O-CA 3.32Å; L63-Q94 HydrophobicContact CB-CB 4.5Å; L63-Q94 PolarHBondContact N-O 3.03Å; L63-Q94 PolarHBondContact O-N 3.49Å; L63-K96 HydrophobicContact CD1-CB 4.08Å; L63-K96 HydrophobicContact CD1-CD 4.12Å; L63-K96 HydrophobicContact CG-CB 4.22Å |
| 64 | W | 98.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 72.1 Ų | 72.1 | 0% | 0.004 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 148.4 | 176.4 | -73.5 | 94.4 | 0 | 0 | 0 | 111.3 | V31 L48 C50 Q70 L71 G75 F78 C93 | V31-W64 HydrophobicContact CG1-CH2 4.22Å; V31-W64 HydrophobicContact CG1-CZ3 4.09Å; V31-W64 HydrophobicContact CG2-CH2 4.09Å; V31-W64 HydrophobicContact CG2-CZ3 3.74Å; L48-W64 HydrophobicContact CB-CH2 3.6Å; L48-W64 HydrophobicContact CB-CZ2 4.43Å; L48-W64 HydrophobicContact CB-CZ3 3.96Å; L48-W64 HydrophobicContact CD1-CZ3 4.16Å; C50-W64 HydrophobicContact CB-CH2 4.06Å; C50-W64 HydrophobicContact CB-CZ2 3.61Å; W64-Q70 WeakPolarHBondContact O-CA 3.4Å; W64-Q70 WeakPolarHBondContact O-CG 3.26Å; W64-L71 HydrophobicContact CB-CB 4.27Å; W64-L71 HydrophobicContact CB-CD1 4.3Å; W64-L71 PolarHBondContact O-N 2.93Å; W64-G75 PolarHBondContact NE1-O 3.42Å; W64-F78 HydrophobicContact CB-CD2 4.14Å; W64-F78 HydrophobicContact CD2-CB 3.48Å; W64-F78 VanDerWaalsContact CD2-CB 3.48Å; W64-F78 HydrophobicContact CD2-CD2 4.31Å; W64-F78 HydrophobicContact CD2-CG 4.06Å; W64-F78 HydrophobicContact CE3-CB 3.93Å; W64-F78 HydrophobicContact CE3-CG 4.29Å; W64-F78 HydrophobicContact CG-CB 3.9Å; W64-F78 AromaticContact CG-CD2 3.99Å; W64-F78 HydrophobicContact CG-CD2 3.99Å; W64-F78 HydrophobicContact CG-CG 4.22Å; W64-F78 HydrophobicContact CH2-CB 4.03Å; W64-F78 HydrophobicContact CZ2-CB 3.6Å; W64-F78 HydrophobicContact CZ3-CB 4.18Å; W64-C93 HydrophobicContact CD2-CB 3.91Å; W64-C93 HydrophobicContact CE3-CB 3.75Å; W64-C93 HydrophobicContact CH2-CB 4.04Å; W64-C93 HydrophobicContact CZ2-CB 4.19Å; W64-C93 HydrophobicContact CZ3-CB 3.81Å |
| 65 | F | 98.4 | Very high | 93.6 | Very high | 20 Ų | 20 | 72.6 Ų | 72.6 | 9% | 0.088 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 142.7 | -177.6 | -56.3 | -97 | 0 | 0 | 0 | 110.4 | L63 V69 Q70 Y91 S92 Q94 R108 | L63-F65 HydrophobicContact CB-CE2 3.68Å; L63-F65 HydrophobicContact CB-CZ 3.94Å; L63-F65 HydrophobicContact CD1-CZ 4.32Å; F65-V69 CarbonylContact C-O 3.59Å; F65-V69 WeakPolarHBondContact CA-O 3.47Å; F65-Q70 HydrophobicContact CD1-CB 3.77Å; F65-Q70 HydrophobicContact CD1-CG 4.09Å; F65-Q70 HydrophobicContact CE1-CB 3.64Å; F65-Q70 HydrophobicContact CE1-CG 3.73Å; F65-Q70 HydrophobicContact CZ-CG 4.13Å; F65-Y91 CarbonylContact O-C 3.58Å; F65-Y91 VanDerWaalsContact O-CA 3.3Å; F65-Y91 WeakPolarHBondContact O-CA 3.39Å; F65-S92 PolarHBondContact N-O 2.78Å; F65-S92 PolarHBondContact O-N 3.33Å; F65-Q94 HydrophobicContact CE2-CB 3.83Å; F65-R108 HydrophobicContact CD2-CG 4.49Å |
| 66 | R | 97.7 | Very high | 94.2 | Very high | 81 Ų | 81 | 72 Ų | 72 | 31% | 0.306 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 109.9 | 164.4 | -171.3 | 175.5 | 68.3 | -155.6 | 4 | 108.6 | S68 V69 L71 E87 K90 Y91 | R66-S68 PolarHBondContact O-N 2.8Å; R66-V69 PolarHBondContact N-O 3.32Å; R66-V69 PolarHBondContact O-N 3.32Å; R66-V69 VanDerWaalsContact O-N 3.14Å; R66-L71 HydrophobicContact CB-CD1 4.21Å; R66-L71 HydrophobicContact CB-CD2 3.97Å; R66-L71 HydrophobicContact CB-CG 4.28Å; R66-E87 WeakPolarHBondContact CD-O 3.49Å; R66-E87 VanDerWaalsContact NH1-CA 3.27Å; R66-K90 CarbonylContact C-O 3.5Å; R66-K90 WeakPolarHBondContact CA-O 3.44Å; R66-Y91 HydrophobicContact CB-CE1 4.44Å; R66-Y91 HydrophobicContact CG-CE2 4.22Å |
| 67 | G | 95.8 | Very high | 94.8 | Very high | 36 Ų | 36 | 65.4 Ų | 65.4 | 37% | 0.371 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | -118.6 | -169 | 0 | 0 | 0 | 0 | 0 | 111.3 | K90 R108 | G67-K90 PolarHBondContact N-O 3Å; G67-R108 PolarHBondContact O-NH1 3.16Å |
| 68 | S | 95.3 | Very high | 95.7 | Very high | 109 Ų | 109 | 57.5 Ų | 57.5 | 76% | 0.762 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -11.2 | 173.8 | 51.3 | 0 | 0 | 0 | 0 | 113.5 | R66 | R66-S68 PolarHBondContact O-N 2.8Š|
| 69 | V | 97.3 | Very high | 96.3 | Very high | 91 Ų | 91 | 59.2 Ų | 59.2 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 126.7 | -172.3 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | F65 R66 | F65-V69 CarbonylContact C-O 3.59Å; F65-V69 WeakPolarHBondContact CA-O 3.47Å; R66-V69 PolarHBondContact N-O 3.32Å; R66-V69 PolarHBondContact O-N 3.32Å; R66-V69 VanDerWaalsContact O-N 3.14Å |
| 70 | Q | 97.8 | Very high | 96.7 | Very high | 107 Ų | 107 | 54.1 Ų | 54.1 | 50% | 0.5 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 132.2 | 171 | -167.4 | -179.4 | -59.5 | 0 | 0 | 109.8 | W64 F65 | W64-Q70 WeakPolarHBondContact O-CA 3.4Å; W64-Q70 WeakPolarHBondContact O-CG 3.26Å; F65-Q70 HydrophobicContact CD1-CB 3.77Å; F65-Q70 HydrophobicContact CD1-CG 4.09Å; F65-Q70 HydrophobicContact CE1-CB 3.64Å; F65-Q70 HydrophobicContact CE1-CG 3.73Å; F65-Q70 HydrophobicContact CZ-CG 4.13Å |
| 71 | L | 97.6 | Very high | 96.8 | Very high | 20 Ų | 20 | 59.7 Ų | 59.7 | 11% | 0.105 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 152.8 | 177.3 | -61.7 | 177.9 | 0 | 0 | 0 | 110.3 | W64 R66 Q73 F78 Y91 | W64-L71 HydrophobicContact CB-CB 4.27Å; W64-L71 HydrophobicContact CB-CD1 4.3Å; W64-L71 PolarHBondContact O-N 2.93Å; R66-L71 HydrophobicContact CB-CD1 4.21Å; R66-L71 HydrophobicContact CB-CD2 3.97Å; R66-L71 HydrophobicContact CB-CG 4.28Å; L71-Q73 VanDerWaalsContact C-N 3.31Å; L71-Q73 PolarHBondContact O-N 2.03Å; L71-F78 HydrophobicContact CB-CE2 4.5Å; L71-F78 HydrophobicContact CD1-CD2 4.31Å; L71-F78 HydrophobicContact CD1-CE2 3.53Å; L71-F78 HydrophobicContact CD1-CZ 3.73Å; L71-Y91 HydrophobicContact CD1-CD1 4.01Å; L71-Y91 HydrophobicContact CD1-CE1 3.73Å |
| 72 | P | 96.8 | Very high | 96.9 | Very high | 126 Ų | 126 | 63.9 Ų | 63.9 | 82% | 0.818 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | -25.1 | 179.2 | 27.8 | -35 | 0 | 0 | 0 | 113.1 | T74 | P72-T74 PolarHBondContact O-N 2.77Å |
| 73 | Q | 96.7 | Very high | 96.9 | Very high | 77 Ų | 77 | 61.9 Ų | 61.9 | 36% | 0.36 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 129.7 | 177 | -74.8 | -171.9 | 25.5 | 0 | 0 | 111 | L71 F78 Q79 | L71-Q73 VanDerWaalsContact C-N 3.31Å; L71-Q73 PolarHBondContact O-N 2.03Å; Q73-F78 HydrophobicContact CB-CD2 3.77Å; Q73-F78 HydrophobicContact CB-CE2 3.92Å; Q73-F78 HydrophobicContact CG-CD2 4.35Å; Q73-F78 HydrophobicContact CG-CE2 4.19Å; Q73-Q79 PolarHBondContact NE2-O 2.99Å; Q73-Q79 PolarHBondContact OE1-O 2.97Å |
| 74 | T | 95.1 | Very high | 96.9 | Very high | 102 Ų | 102 | 64.9 Ų | 64.9 | 63% | 0.626 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 155.2 | 174.3 | 58.1 | 0 | 0 | 0 | 0 | 110 | Y62 P72 | Y62-T74 WeakPolarHBondContact O-CA 3.24Å; Y62-T74 WeakPolarHBondContact O-CB 3.45Å; P72-T74 PolarHBondContact O-N 2.77Å |
| 75 | G | 95.6 | Very high | 96.8 | Very high | 26 Ų | 26 | 68.2 Ų | 68.2 | 27% | 0.268 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 121.1 | 163.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y62 W64 I77 | Y62-G75 WeakPolarHBondContact CB-O 3.45Å; Y62-G75 PolarHBondContact O-N 2.81Å; W64-G75 PolarHBondContact NE1-O 3.42Å; G75-I77 PolarHBondContact O-N 3.32Å |
| 76 | E | 96.4 | Very high | 96.7 | Very high | 79 Ų | 79 | 75.9 Ų | 75.9 | 37% | 0.369 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -60.7 | -35.6 | -175.4 | -167.8 | -163.4 | 148.2 | 0 | 0 | 111.7 | R49 C50 Y62 | R49-E76 CarbonylContact C-O 3.59Å; R49-E76 WeakPolarHBondContact CA-O 3.21Å; R49-E76 WeakPolarHBondContact CD-OE1 3.41Å; R49-E76 HydrophobicContact CG-CG 4.12Å; R49-E76 WeakPolarHBondContact CG-OE1 3.4Å; R49-E76 IonicContact CZ-OE1 2.66Å; R49-E76 IonicContact NE-OE1 3.71Å; R49-E76 PolarHBondContact NE-OE1 2.84Å; C50-E76 PolarHBondContact N-O 3.05Å; C50-E76 WeakPolarHBondContact O-CG 3.25Å; Y62-E76 HydrophobicContact CD2-CB 4.03Å; Y62-E76 VanDerWaalsContact CD2-N 3.35Å; Y62-E76 HydrophobicContact CE1-CB 4.27Å; Y62-E76 HydrophobicContact CE1-CG 4.02Å; Y62-E76 HydrophobicContact CE2-CB 3.71Å; Y62-E76 HydrophobicContact CE2-CG 4.16Å; Y62-E76 HydrophobicContact CG-CB 4.44Å |
| 77 | I | 97.8 | Very high | 96.7 | Very high | 53 Ų | 53 | 74.7 Ų | 74.7 | 27% | 0.272 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 122.3 | 178 | -53.3 | -59.9 | 0 | 0 | 0 | 110 | V34 L48 R49 G75 Q79 | V34-I77 HydrophobicContact CG2-CD1 4.16Å; L48-I77 CarbonylContact O-C 3.59Å; L48-I77 VanDerWaalsContact O-CA 3.28Å; L48-I77 WeakPolarHBondContact O-CA 3.21Å; R49-I77 HydrophobicContact CB-CD1 3.65Å; R49-I77 HydrophobicContact CG-CD1 3.86Å; G75-I77 PolarHBondContact O-N 3.32Å; I77-Q79 HydrophobicContact CG2-CG 3.81Å |
| 78 | F | 97.9 | Very high | 96.8 | Very high | 9 Ų | 9 | 74.7 Ų | 74.7 | 4% | 0.039 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 134.7 | 165.9 | 174.7 | -94.2 | 0 | 0 | 0 | 109.8 | S47 L48 W64 L71 Q73 L80 Y91 | S47-F78 CarbonylContact C-O 3.48Å; S47-F78 WeakPolarHBondContact CA-O 3.47Å; L48-F78 HydrophobicContact CB-CB 4.45Å; L48-F78 HydrophobicContact CD1-CD1 4.27Å; L48-F78 PolarHBondContact N-O 2.9Å; L48-F78 PolarHBondContact O-N 2.93Å; W64-F78 HydrophobicContact CB-CD2 4.14Å; W64-F78 HydrophobicContact CD2-CB 3.48Å; W64-F78 VanDerWaalsContact CD2-CB 3.48Å; W64-F78 HydrophobicContact CD2-CD2 4.31Å; W64-F78 HydrophobicContact CD2-CG 4.06Å; W64-F78 HydrophobicContact CE3-CB 3.93Å; W64-F78 HydrophobicContact CE3-CG 4.29Å; W64-F78 HydrophobicContact CG-CB 3.9Å; W64-F78 AromaticContact CG-CD2 3.99Å; W64-F78 HydrophobicContact CG-CD2 3.99Å; W64-F78 HydrophobicContact CG-CG 4.22Å; W64-F78 HydrophobicContact CH2-CB 4.03Å; W64-F78 HydrophobicContact CZ2-CB 3.6Å; W64-F78 HydrophobicContact CZ3-CB 4.18Å; L71-F78 HydrophobicContact CB-CE2 4.5Å; L71-F78 HydrophobicContact CD1-CD2 4.31Å; L71-F78 HydrophobicContact CD1-CE2 3.53Å; L71-F78 HydrophobicContact CD1-CZ 3.73Å; Q73-F78 HydrophobicContact CB-CD2 3.77Å; Q73-F78 HydrophobicContact CB-CE2 3.92Å; Q73-F78 HydrophobicContact CG-CD2 4.35Å; Q73-F78 HydrophobicContact CG-CE2 4.19Å; F78-L80 HydrophobicContact CE1-CB 4.21Å; F78-Y91 HydrophobicContact CD1-CD1 4.34Å; F78-Y91 HydrophobicContact CD1-CE1 4.31Å; F78-Y91 AromaticContact CE1-CD1 3.89Å; F78-Y91 HydrophobicContact CE1-CD1 3.89Å; F78-Y91 AromaticContact CE1-CE1 3.44Å; F78-Y91 HydrophobicContact CE1-CE1 3.44Å; F78-Y91 VanDerWaalsContact CE1-CE1 3.44Å; F78-Y91 HydrophobicContact CZ-CD1 4.29Å; F78-Y91 AromaticContact CZ-CE1 3.63Å; F78-Y91 HydrophobicContact CZ-CE1 3.63Å |
| 79 | Q | 97 | Very high | 96.8 | Very high | 65 Ų | 65 | 70.5 Ų | 70.5 | 30% | 0.304 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.3 | 179.1 | -59.5 | -160.7 | 0.1 | 0 | 0 | 111.1 | Q73 I77 W81 | Q73-Q79 PolarHBondContact NE2-O 2.99Å; Q73-Q79 PolarHBondContact OE1-O 2.97Å; I77-Q79 HydrophobicContact CG2-CG 3.81Å; Q79-W81 VanDerWaalsContact CB-NE1 3.34Å |
| 80 | L | 96.6 | Very high | 96.8 | Very high | 6 Ų | 6 | 71.4 Ų | 71.4 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 112.2 | 168.3 | -166.9 | 65.5 | 0 | 0 | 0 | 107.5 | I40 R45 L46 F78 A83 E87 V116 | I40-L80 HydrophobicContact CD1-CD2 4.44Å; R45-L80 WeakPolarHBondContact CA-O 3.37Å; R45-L80 WeakPolarHBondContact CB-O 3.43Å; L46-L80 HydrophobicContact CD1-CB 4.02Å; L46-L80 HydrophobicContact CG-CB 4.02Å; L46-L80 HydrophobicContact CG-CD2 4.42Å; L46-L80 PolarHBondContact N-O 2.85Å; L46-L80 VanDerWaalsContact N-O 3.12Å; L46-L80 PolarHBondContact O-N 3.47Å; F78-L80 HydrophobicContact CE1-CB 4.21Å; L80-A83 HydrophobicContact CD2-CB 3.67Å; L80-A83 HydrophobicContact CG-CB 3.94Å; L80-E87 HydrophobicContact CD1-CB 4.17Å; L80-E87 HydrophobicContact CD1-CG 4.46Å; L80-E87 WeakPolarHBondContact CD1-OE2 3.5Å; L80-V116 HydrophobicContact CD2-CG2 4.21Å |
| 81 | W | 95.6 | Very high | 96.8 | Very high | 143 Ų | 143 | 66.4 Ų | 66.4 | 54% | 0.542 | 35% | 0.348 | S | S | . | . | trans | -105.6 | 139.2 | 178.2 | -70.9 | 95.1 | 0 | 0 | 0 | 109.8 | R45 Q79 A83 | R45-W81 HydrophobicContact CB-CE3 4.26Å; Q79-W81 VanDerWaalsContact CB-NE1 3.34Å; W81-A83 VanDerWaalsContact C-N 3.32Å; W81-A83 PolarHBondContact O-N 2.79Å | ||
| 82 | N | 96.4 | Very high | 96.8 | Very high | 126 Ų | 126 | 65.6 Ų | 65.6 | 67% | 0.674 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 49.3 | 53.5 | 178 | -171.3 | 35.5 | 0 | 0 | 0 | 111.9 | G43 E44 N84 | G43-N82 WeakPolarHBondContact CA-OD1 3.29Å; E44-N82 PolarHBondContact O-N 3.05Å; N82-N84 PolarHBondContact O-N 2.72Å |
| 83 | A | 97.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.017 | 31% | 0.305 | C | S | . | . | trans | -52.8 | 134.5 | -165.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I40 S42 G43 E44 L80 W81 V116 | I40-A83 HydrophobicContact CD1-CB 3.58Å; S42-A83 CarbonylContact C-O 3.51Å; S42-A83 WeakPolarHBondContact CA-O 3.31Å; G43-A83 PolarHBondContact N-O 2.82Å; E44-A83 VanDerWaalsContact O-CB 3.31Å; E44-A83 WeakPolarHBondContact O-CB 3.38Å; E44-A83 PolarHBondContact O-N 2.84Å; L80-A83 HydrophobicContact CD2-CB 3.67Å; L80-A83 HydrophobicContact CG-CB 3.94Å; W81-A83 VanDerWaalsContact C-N 3.32Å; W81-A83 PolarHBondContact O-N 2.79Å; A83-V116 HydrophobicContact CB-CG1 3.84Å; A83-V116 HydrophobicContact CB-CG2 4.02Å | ||
| 84 | N | 97.2 | Very high | 96.9 | Very high | 83 Ų | 83 | 57.4 Ų | 57.4 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | trans | -101.8 | 147.4 | 174.6 | -168.1 | -79.4 | 0 | 0 | 0 | 111.2 | N82 K86 E87 | N82-N84 PolarHBondContact O-N 2.72Å; N84-K86 PolarHBondContact O-N 3.47Å; N84-K86 VanDerWaalsContact O-N 3.15Å; N84-K86 WeakPolarHBondContact OD1-CB 3.41Å; N84-K86 WeakPolarHBondContact OD1-CG 3.29Å; N84-K86 PolarHBondContact OD1-N 2.93Å; N84-E87 HydrophobicContact CB-CG 4.07Å; N84-E87 PolarHBondContact N-OE2 3.42Å; N84-E87 WeakPolarHBondContact O-CA 3.33Å; N84-E87 VanDerWaalsContact O-CB 3.31Å; N84-E87 WeakPolarHBondContact O-CB 3.24Å; N84-E87 PolarHBondContact O-N 3.43Å | ||
| 85 | V | 96.9 | Very high | 96.9 | Very high | 72 Ų | 72 | 52.6 Ų | 52.6 | 44% | 0.436 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -54.9 | -36.4 | 178.5 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | E87 S88 | V85-E87 PolarHBondContact O-N 2.81Å; V85-E87 VanDerWaalsContact O-N 3.16Å; V85-S88 WeakPolarHBondContact O-CB 3.35Å; V85-S88 PolarHBondContact O-N 2.86Å; V85-S88 VanDerWaalsContact O-N 3.16Å; V85-S88 PolarHBondContact O-OG 3.38Å |
| 86 | K | 96.6 | Very high | 96.8 | Very high | 181 Ų | 181 | 54.4 Ų | 54.4 | 79% | 0.787 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -65.8 | -12.6 | 176.8 | -63.6 | -179.2 | -178.9 | -180 | 0 | 113.7 | N84 | N84-K86 PolarHBondContact O-N 3.47Å; N84-K86 VanDerWaalsContact O-N 3.15Å; N84-K86 WeakPolarHBondContact OD1-CB 3.41Å; N84-K86 WeakPolarHBondContact OD1-CG 3.29Å; N84-K86 PolarHBondContact OD1-N 2.93Å |
| 87 | E | 96.7 | Very high | 96.5 | Very high | 56 Ų | 56 | 54.6 Ų | 54.6 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -89.8 | -5.2 | 178.3 | -58.2 | 177.4 | 123.2 | 0 | 0 | 113.5 | R66 L80 N84 V85 Y91 | R66-E87 WeakPolarHBondContact CD-O 3.49Å; R66-E87 VanDerWaalsContact NH1-CA 3.27Å; L80-E87 HydrophobicContact CD1-CB 4.17Å; L80-E87 HydrophobicContact CD1-CG 4.46Å; L80-E87 WeakPolarHBondContact CD1-OE2 3.5Å; N84-E87 HydrophobicContact CB-CG 4.07Å; N84-E87 PolarHBondContact N-OE2 3.42Å; N84-E87 WeakPolarHBondContact O-CA 3.33Å; N84-E87 VanDerWaalsContact O-CB 3.31Å; N84-E87 WeakPolarHBondContact O-CB 3.24Å; N84-E87 PolarHBondContact O-N 3.43Å; V85-E87 PolarHBondContact O-N 2.81Å; V85-E87 VanDerWaalsContact O-N 3.16Å; E87-Y91 WeakPolarHBondContact O-CE2 3.31Å; E87-Y91 PolarHBondContact O-OH 2.63Å |
| 88 | S | 97.2 | Very high | 96.1 | Very high | 36 Ų | 36 | 57.7 Ų | 57.7 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | trans | -52.4 | 141.6 | 167.3 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | V85 I114 V116 | V85-S88 WeakPolarHBondContact O-CB 3.35Å; V85-S88 PolarHBondContact O-N 2.86Å; V85-S88 VanDerWaalsContact O-N 3.16Å; V85-S88 PolarHBondContact O-OG 3.38Å; S88-I114 WeakPolarHBondContact CA-O 3.43Å; S88-V116 PolarHBondContact OG-N 3.15Å; S88-V116 PolarHBondContact OG-O 3.38Å | ||
| 89 | G | 96.4 | Very high | 95.5 | Very high | 21 Ų | 21 | 59.6 Ų | 59.6 | 22% | 0.216 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.8 | -169.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y91 E113 I114 | G89-Y91 WeakPolarHBondContact O-CD2 3.42Å; G89-E113 WeakPolarHBondContact O-CA 3.5Å; G89-I114 PolarHBondContact N-O 3.11Å; G89-I114 PolarHBondContact O-N 3.26Å |
| 90 | K | 97.4 | Very high | 94.7 | Very high | 110 Ų | 110 | 65 Ų | 65 | 48% | 0.478 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 108.1 | -175.8 | -72.9 | -179.1 | -176.1 | -178.5 | 0 | 110.3 | R66 G67 P111 E113 | R66-K90 CarbonylContact C-O 3.5Å; R66-K90 WeakPolarHBondContact CA-O 3.44Å; G67-K90 PolarHBondContact N-O 3Å; K90-P111 HydrophobicContact CB-CB 3.74Å; K90-P111 HydrophobicContact CD-CB 4.18Å; K90-P111 HydrophobicContact CD-CG 4.45Å; K90-P111 HydrophobicContact CG-CB 4.15Å; K90-E113 VanDerWaalsContact CE-OE2 3.29Å; K90-E113 WeakPolarHBondContact CE-OE2 3.38Å; K90-E113 HydrophobicContact CG-CB 4.29Å; K90-E113 HydrophobicContact CG-CG 4.26Å |
| 91 | Y | 97.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.008 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 136.8 | 179.4 | -73.5 | -100.7 | 0 | 0 | 0 | 110.6 | L48 F65 R66 L71 F78 E87 G89 P111 Y112 I114 | L48-Y91 HydrophobicContact CD1-CD1 4.35Å; L48-Y91 HydrophobicContact CD1-CG 4.14Å; F65-Y91 CarbonylContact O-C 3.58Å; F65-Y91 VanDerWaalsContact O-CA 3.3Å; F65-Y91 WeakPolarHBondContact O-CA 3.39Å; R66-Y91 HydrophobicContact CB-CE1 4.44Å; R66-Y91 HydrophobicContact CG-CE2 4.22Å; L71-Y91 HydrophobicContact CD1-CD1 4.01Å; L71-Y91 HydrophobicContact CD1-CE1 3.73Å; F78-Y91 HydrophobicContact CD1-CD1 4.34Å; F78-Y91 HydrophobicContact CD1-CE1 4.31Å; F78-Y91 AromaticContact CE1-CD1 3.89Å; F78-Y91 HydrophobicContact CE1-CD1 3.89Å; F78-Y91 AromaticContact CE1-CE1 3.44Å; F78-Y91 HydrophobicContact CE1-CE1 3.44Å; F78-Y91 VanDerWaalsContact CE1-CE1 3.44Å; F78-Y91 HydrophobicContact CZ-CD1 4.29Å; F78-Y91 AromaticContact CZ-CE1 3.63Å; F78-Y91 HydrophobicContact CZ-CE1 3.63Å; E87-Y91 WeakPolarHBondContact O-CE2 3.31Å; E87-Y91 PolarHBondContact O-OH 2.63Å; G89-Y91 WeakPolarHBondContact O-CD2 3.42Å; Y91-P111 CarbonylContact O-C 3.5Å; Y91-P111 WeakPolarHBondContact O-CA 3.15Å; Y91-Y112 PolarHBondContact N-O 2.79Å; Y91-Y112 PolarHBondContact O-N 2.85Å; Y91-I114 HydrophobicContact CD2-CB 3.93Å; Y91-I114 HydrophobicContact CD2-CG1 3.72Å; Y91-I114 HydrophobicContact CE2-CB 3.89Å; Y91-I114 HydrophobicContact CE2-CG1 4.08Å; Y91-I114 HydrophobicContact CG-CG1 4.49Å |
| 92 | S | 98.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.014 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 158 | 174.6 | 55.6 | 0 | 0 | 0 | 0 | 110.2 | F65 R108 S109 | F65-S92 PolarHBondContact N-O 2.78Å; F65-S92 PolarHBondContact O-N 3.33Å; S92-R108 WeakPolarHBondContact OG-CD 3.48Å; S92-R108 PolarHBondContact OG-NE 3.16Å; S92-S109 VanDerWaalsContact CA-OG 3.26Å; S92-S109 WeakPolarHBondContact CA-OG 3.44Å; S92-S109 VanDerWaalsContact CB-OG 3.32Å; S92-S109 WeakPolarHBondContact CB-OG 3.42Å |
| 93 | C | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 161.5 | 179.9 | 75.7 | 0 | 0 | 0 | 0 | 112.2 | V31 C50 L63 W64 R108 S109 | V31-C93 HydrophobicContact CG2-CB 4.07Å; C50-C93 VanDerWaalsContact CA-SG 3.55Å; C50-C93 HydrophobicContact CB-CB 3.57Å; C50-C93 WeakPolarHBondContact CB-SG 3.35Å; C50-C93 WeakPolarHBondContact SG-CB 3.05Å; C50-C93 CovalentContact SG-SG 2.03Å; C50-C93 PolarHBondContact SG-SG 2.73Å; L63-C93 CarbonylContact O-C 3.45Å; L63-C93 VanDerWaalsContact O-CA 3.23Å; L63-C93 WeakPolarHBondContact O-CA 3.32Å; W64-C93 HydrophobicContact CD2-CB 3.91Å; W64-C93 HydrophobicContact CE3-CB 3.75Å; W64-C93 HydrophobicContact CH2-CB 4.04Å; W64-C93 HydrophobicContact CZ2-CB 4.19Å; W64-C93 HydrophobicContact CZ3-CB 3.81Å; C93-R108 WeakPolarHBondContact O-CG 3.29Å; C93-S109 PolarHBondContact N-OG 2.79Å; C93-S109 PolarHBondContact O-N 3.46Å |
| 94 | Q | 96.4 | Very high | 92.5 | Very high | 32 Ų | 32 | 61.8 Ų | 61.8 | 15% | 0.15 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 132.6 | 177.8 | -167.3 | 179.3 | 27.2 | 0 | 0 | 109.6 | L63 F65 K105 T106 | L63-Q94 HydrophobicContact CB-CB 4.5Å; L63-Q94 PolarHBondContact N-O 3.03Å; L63-Q94 PolarHBondContact O-N 3.49Å; F65-Q94 HydrophobicContact CE2-CB 3.83Å; Q94-K105 HydrophobicContact CG-CB 4.47Å; Q94-T106 VanDerWaalsContact CG-O 3.25Å; Q94-T106 WeakPolarHBondContact CG-O 3.44Å; Q94-T106 PolarHBondContact NE2-O 2.62Å |
| 95 | G | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 136.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112 | I52 G61 K105 T106 | I52-G95 VanDerWaalsContact CD1-CA 3.48Å; G61-G95 CarbonylContact O-C 3.52Å; G61-G95 WeakPolarHBondContact O-CA 3.18Å; G95-K105 CarbonylContact O-C 3.59Å; G95-K105 VanDerWaalsContact O-CA 3.31Å; G95-K105 WeakPolarHBondContact O-CA 3.31Å; G95-T106 WeakPolarHBondContact CA-OG1 3.36Å; G95-T106 PolarHBondContact N-OG1 3.39Å; G95-T106 PolarHBondContact O-N 3.24Å; G95-T106 PolarHBondContact O-OG1 2.91Å |
| 96 | K | 94 | Very high | 92.1 | Very high | 65 Ų | 65 | 57.8 Ų | 57.8 | 28% | 0.283 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 133.9 | 174.1 | -178.6 | -175 | 177.9 | -156.7 | 0 | 109.1 | G61 L63 E98 K105 | G61-K96 VanDerWaalsContact CA-O 3.28Å; G61-K96 WeakPolarHBondContact CA-O 3.47Å; G61-K96 PolarHBondContact N-O 2.92Å; G61-K96 PolarHBondContact O-N 3.42Å; L63-K96 HydrophobicContact CD1-CB 4.08Å; L63-K96 HydrophobicContact CD1-CD 4.12Å; L63-K96 HydrophobicContact CG-CB 4.22Å; K96-E98 WeakPolarHBondContact CE-OE1 3.42Å; K96-E98 IonicContact NZ-OE1 3.63Å; K96-E98 PolarHBondContact NZ-OE1 3.34Å; K96-K105 HydrophobicContact CB-CG 4.37Å; K96-K105 HydrophobicContact CG-CG 4.18Å |
| 97 | K | 90.6 | Very high | 92.1 | Very high | 83 Ų | 83 | 52.3 Ų | 52.3 | 36% | 0.361 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 132.1 | 175.6 | -177.2 | 176.2 | -179.3 | -177.1 | 0 | 109.2 | W60 S103 I104 | W60-K97 HydrophobicContact CE3-CB 3.7Å; W60-K97 HydrophobicContact CH2-CB 4.48Å; W60-K97 HydrophobicContact CZ3-CB 3.66Å; K97-S103 CarbonylContact O-C 3.55Å; K97-S103 WeakPolarHBondContact O-CA 3.35Å; K97-I104 PolarHBondContact N-O 2.81Å; K97-I104 PolarHBondContact O-N 3.16Å |
| 98 | E | 89.4 | Confident | 92 | Very high | 117 Ų | 117 | 54.5 Ų | 54.5 | 55% | 0.547 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 140.2 | 170.8 | -56.2 | -61.8 | 173.1 | 0 | 0 | 109.5 | K96 S103 | K96-E98 WeakPolarHBondContact CE-OE1 3.42Å; K96-E98 IonicContact NZ-OE1 3.63Å; K96-E98 PolarHBondContact NZ-OE1 3.34Å; E98-S103 WeakPolarHBondContact OE2-CB 3.09Å |
| 99 | T | 84.4 | Confident | 92 | Very high | 49 Ų | 49 | 53 Ų | 53 | 30% | 0.301 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 166.6 | 174.9 | 71.3 | 0 | 0 | 0 | 0 | 109.6 | V101 G102 I104 | T99-V101 PolarHBondContact O-N 2.79Å; T99-V101 PolarHBondContact OG1-N 2.83Å; T99-G102 WeakPolarHBondContact CA-O 3.4Å; T99-G102 PolarHBondContact N-O 2.81Å; T99-G102 PolarHBondContact O-N 2.89Å; T99-G102 VanDerWaalsContact O-O 3.07Å; T99-G102 PolarHBondContact OG1-N 2.83Å; T99-G102 PolarHBondContact OG1-O 2.75Å; T99-I104 HydrophobicContact CG2-CD1 3.58Å; T99-I104 HydrophobicContact CG2-CG1 3.93Å |
| 100 | D | 79.9 | Confident | 92 | Very high | 178 Ų | 178 | 58 Ų | 58 | 95% | 0.952 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15.6 | 179 | -54.7 | -40.1 | 0 | 0 | 0 | 113.2 | ||
| 101 | V | 80.9 | Confident | 91.9 | Very high | 98 Ų | 98 | 56.5 Ų | 56.5 | 59% | 0.594 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | 7.5 | -176.7 | -146.5 | 0 | 0 | 0 | 0 | 112.3 | V21 T99 | V21-V101 HydrophobicContact CB-CG1 4.28Å; V21-V101 HydrophobicContact CG1-CB 3.94Å; V21-V101 HydrophobicContact CG1-CG1 3.75Å; V21-V101 HydrophobicContact CG2-CG1 3.53Å; T99-V101 PolarHBondContact O-N 2.79Å; T99-V101 PolarHBondContact OG1-N 2.83Å |
| 102 | G | 83.2 | Confident | 91.8 | Very high | 36 Ų | 36 | 58.4 Ų | 58.4 | 37% | 0.371 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 130.3 | -157.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T99 | T99-G102 WeakPolarHBondContact CA-O 3.4Å; T99-G102 PolarHBondContact N-O 2.81Å; T99-G102 PolarHBondContact O-N 2.89Å; T99-G102 VanDerWaalsContact O-O 3.07Å; T99-G102 PolarHBondContact OG1-N 2.83Å; T99-G102 PolarHBondContact OG1-O 2.75Å |
| 103 | S | 85.3 | Confident | 91.6 | Very high | 31 Ų | 31 | 63.3 Ų | 63.3 | 22% | 0.217 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.5 | 179 | 82 | 0 | 0 | 0 | 0 | 111 | T23 K97 E98 | T23-S103 WeakPolarHBondContact CG2-O 3.38Å; K97-S103 CarbonylContact O-C 3.55Å; K97-S103 WeakPolarHBondContact O-CA 3.35Å; E98-S103 WeakPolarHBondContact OE2-CB 3.09Å |
| 104 | I | 89.8 | Confident | 91.5 | Very high | 46 Ų | 46 | 63.3 Ų | 63.3 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131.2 | 172.9 | -59.8 | 179.6 | 0 | 0 | 0 | 109 | T25 W60 K97 T99 | T25-I104 HydrophobicContact CG2-CG2 3.43Å; T25-I104 VanDerWaalsContact CG2-CG2 3.43Å; W60-I104 HydrophobicContact CH2-CG2 4.38Å; K97-I104 PolarHBondContact N-O 2.81Å; K97-I104 PolarHBondContact O-N 3.16Å; T99-I104 HydrophobicContact CG2-CD1 3.58Å; T99-I104 HydrophobicContact CG2-CG1 3.93Å |
| 105 | K | 93.2 | Very high | 91.4 | Very high | 70 Ų | 70 | 64.9 Ų | 64.9 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 142 | 177.5 | -61.5 | 179.1 | -174.3 | 175.2 | 0 | 112.8 | T23 S24 T25 Q94 G95 K96 | T23-K105 PolarHBondContact O-N 3.02Å; S24-K105 CarbonylContact C-O 3.45Å; S24-K105 WeakPolarHBondContact CA-O 3.23Å; S24-K105 WeakPolarHBondContact CB-O 3.31Å; S24-K105 PolarHBondContact OG-O 3.24Å; T25-K105 PolarHBondContact N-O 2.77Å; Q94-K105 HydrophobicContact CG-CB 4.47Å; G95-K105 CarbonylContact O-C 3.59Å; G95-K105 VanDerWaalsContact O-CA 3.31Å; G95-K105 WeakPolarHBondContact O-CA 3.31Å; K96-K105 HydrophobicContact CB-CG 4.37Å; K96-K105 HydrophobicContact CG-CG 4.18Å |
| 106 | T | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 166 | 168.5 | 60.4 | 0 | 0 | 0 | 0 | 111.3 | T25 Y27 I52 W60 Q94 G95 | T25-T106 WeakPolarHBondContact OG1-CA 3.37Å; Y27-T106 WeakPolarHBondContact O-CB 3.3Å; I52-T106 HydrophobicContact CD1-CG2 4.39Å; I52-T106 HydrophobicContact CG1-CG2 4.43Å; I52-T106 HydrophobicContact CG2-CG2 3.77Å; W60-T106 HydrophobicContact CE3-CG2 4.24Å; W60-T106 HydrophobicContact CH2-CG2 3.98Å; W60-T106 HydrophobicContact CZ2-CG2 4.28Å; W60-T106 HydrophobicContact CZ3-CG2 3.95Å; Q94-T106 VanDerWaalsContact CG-O 3.25Å; Q94-T106 WeakPolarHBondContact CG-O 3.44Å; Q94-T106 PolarHBondContact NE2-O 2.62Å; G95-T106 WeakPolarHBondContact CA-OG1 3.36Å; G95-T106 PolarHBondContact N-OG1 3.39Å; G95-T106 PolarHBondContact O-N 3.24Å; G95-T106 PolarHBondContact O-OG1 2.91Å |
| 107 | L | 95.2 | Very high | 91.6 | Very high | 67 Ų | 67 | 62.5 Ų | 62.5 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 137.1 | 162.8 | -64 | 175.4 | 0 | 0 | 0 | 109.7 | Y27 R28 A29 | Y27-L107 PolarHBondContact O-N 3.38Å; R28-L107 HydrophobicContact CB-CB 4.15Å; R28-L107 HydrophobicContact CG-CB 4.33Å; A29-L107 PolarHBondContact N-O 2.89Å; A29-L107 VanDerWaalsContact N-O 3.09Å |
| 108 | R | 95.8 | Very high | 91.9 | Very high | 101 Ų | 101 | 60.4 Ų | 60.4 | 38% | 0.381 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 142.6 | 176.9 | -162.9 | 171.6 | 73 | 160.5 | 5.6 | 110.8 | R28 F65 G67 S92 C93 | R28-R108 PolarHBondContact NH1-O 3.16Å; F65-R108 HydrophobicContact CD2-CG 4.49Å; G67-R108 PolarHBondContact O-NH1 3.16Å; S92-R108 WeakPolarHBondContact OG-CD 3.48Å; S92-R108 PolarHBondContact OG-NE 3.16Å; C93-R108 WeakPolarHBondContact O-CG 3.29Å |
| 109 | S | 97.4 | Very high | 92.1 | Very high | 5 Ų | 5 | 56 Ų | 56 | 4% | 0.035 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 159.4 | 177.2 | 78 | 0 | 0 | 0 | 0 | 112.1 | A29 V31 S92 C93 | A29-S109 WeakPolarHBondContact O-CA 3.44Å; A29-S109 WeakPolarHBondContact O-CB 3.38Å; V31-S109 WeakPolarHBondContact CG2-OG 3.42Å; S92-S109 VanDerWaalsContact CA-OG 3.26Å; S92-S109 WeakPolarHBondContact CA-OG 3.44Å; S92-S109 VanDerWaalsContact CB-OG 3.32Å; S92-S109 WeakPolarHBondContact CB-OG 3.42Å; C93-S109 PolarHBondContact N-OG 2.79Å; C93-S109 PolarHBondContact O-N 3.46Å |
| 110 | L | 95 | Very high | 92.7 | Very high | 126 Ų | 126 | 59.6 Ų | 59.6 | 66% | 0.66 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 146.5 | 161.6 | -65.5 | 178.9 | 0 | 0 | 0 | 109.3 | ||
| 111 | P | 96.1 | Very high | 93.5 | Very high | 78 Ų | 78 | 51.2 Ų | 51.2 | 51% | 0.506 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 132.9 | -179.9 | 25.8 | -32.3 | 0 | 0 | 0 | 111.6 | K90 Y91 | K90-P111 HydrophobicContact CB-CB 3.74Å; K90-P111 HydrophobicContact CD-CB 4.18Å; K90-P111 HydrophobicContact CD-CG 4.45Å; K90-P111 HydrophobicContact CG-CB 4.15Å; Y91-P111 CarbonylContact O-C 3.5Å; Y91-P111 WeakPolarHBondContact O-CA 3.15Å |
| 112 | Y | 94.9 | Very high | 94.3 | Very high | 43 Ų | 43 | 46.6 Ų | 46.6 | 17% | 0.169 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 116.4 | 170.4 | -163.9 | -98.7 | 0 | 0 | 0 | 109.5 | V31 I33 L48 Y91 I114 R128 | V31-Y112 HydrophobicContact CG1-CD1 4.45Å; V31-Y112 HydrophobicContact CG1-CG 4.04Å; I33-Y112 HydrophobicContact CB-CE1 4.28Å; L48-Y112 HydrophobicContact CD2-CD1 4.02Å; L48-Y112 HydrophobicContact CD2-CE1 4.02Å; Y91-Y112 PolarHBondContact N-O 2.79Å; Y91-Y112 PolarHBondContact O-N 2.85Å; Y112-I114 HydrophobicContact CD1-CD1 3.61Å; Y112-I114 HydrophobicContact CD1-CG1 4.28Å; Y112-I114 HydrophobicContact CE1-CD1 3.59Å; Y112-R128 VanDerWaalsContact CD1-NH2 3.34Å; Y112-R128 VanDerWaalsContact CE2-NE 3.29Å; Y112-R128 PolarHBondContact OH-NE 2.85Å; Y112-R128 VanDerWaalsContact OH-NE 3.09Å; Y112-R128 PolarHBondContact OH-NH2 3.44Å |
| 113 | E | 94.3 | Very high | 94.9 | Very high | 104 Ų | 104 | 44.9 Ų | 44.9 | 49% | 0.486 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 117.5 | -172.1 | -170.6 | 165 | 168.4 | 0 | 0 | 112.2 | G89 K90 R128 | G89-E113 WeakPolarHBondContact O-CA 3.5Å; K90-E113 VanDerWaalsContact CE-OE2 3.29Å; K90-E113 WeakPolarHBondContact CE-OE2 3.38Å; K90-E113 HydrophobicContact CG-CB 4.29Å; K90-E113 HydrophobicContact CG-CG 4.26Å; E113-R128 PolarHBondContact O-NH1 2.7Å; E113-R128 VanDerWaalsContact O-NH1 3.07Å; E113-R128 PolarHBondContact O-NH2 3.35Å |
| 114 | I | 95.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 135 | 176.3 | -61.6 | -55 | 0 | 0 | 0 | 109.3 | S38 L46 L48 S88 G89 Y91 Y112 V116 | S38-I114 WeakPolarHBondContact O-CA 3.45Å; L46-I114 HydrophobicContact CD2-CD1 3.88Å; L46-I114 HydrophobicContact CD2-CG1 4.25Å; L46-I114 HydrophobicContact CD2-CG2 3.68Å; L48-I114 HydrophobicContact CD2-CD1 4.44Å; S88-I114 WeakPolarHBondContact CA-O 3.43Å; G89-I114 PolarHBondContact N-O 3.11Å; G89-I114 PolarHBondContact O-N 3.26Å; Y91-I114 HydrophobicContact CD2-CB 3.93Å; Y91-I114 HydrophobicContact CD2-CG1 3.72Å; Y91-I114 HydrophobicContact CE2-CB 3.89Å; Y91-I114 HydrophobicContact CE2-CG1 4.08Å; Y91-I114 HydrophobicContact CG-CG1 4.49Å; Y112-I114 HydrophobicContact CD1-CD1 3.61Å; Y112-I114 HydrophobicContact CD1-CG1 4.28Å; Y112-I114 HydrophobicContact CE1-CD1 3.59Å; I114-V116 HydrophobicContact CG2-CG2 4.21Å |
| 115 | H | 95.4 | Very high | 95.5 | Very high | 65 Ų | 65 | 42.8 Ų | 42.8 | 30% | 0.301 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 119.3 | 176.1 | -170.3 | 87.9 | 0 | 0 | 0 | 110.6 | S38 R39 I40 D117 | S38-H115 PolarHBondContact O-N 2.93Å; R39-H115 WeakPolarHBondContact CA-O 3.36Å; R39-H115 HydrophobicContact CG-CB 4.15Å; R39-H115 PolarHBondContact NE-CD2 3.43Å; R39-H115 PolarHBondContact NH2-CD2 2.87Å; R39-H115 VanDerWaalsContact NH2-CD2 3.32Å; R39-H115 PolarHBondContact NH2-NE2 3.12Å; I40-H115 PolarHBondContact N-O 2.82Å; H115-D117 IonicContact NE2-OD2 2.84Å |
| 116 | V | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 113.8 | 177.6 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | I40 L80 A83 S88 I114 | I40-V116 HydrophobicContact CD1-CG2 4.23Å; I40-V116 HydrophobicContact CG1-CG2 4.14Å; I40-V116 CarbonylContact O-C 3.5Å; I40-V116 WeakPolarHBondContact O-CA 3.34Å; L80-V116 HydrophobicContact CD2-CG2 4.21Å; A83-V116 HydrophobicContact CB-CG1 3.84Å; A83-V116 HydrophobicContact CB-CG2 4.02Å; S88-V116 PolarHBondContact OG-N 3.15Å; S88-V116 PolarHBondContact OG-O 3.38Å; I114-V116 HydrophobicContact CG2-CG2 4.21Å |
| 117 | D | 96.7 | Very high | 94.8 | Very high | 13 Ų | 13 | 48.7 Ų | 48.7 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 130.3 | -174.5 | -161.5 | -68.5 | 0 | 0 | 0 | 111.4 | I40 F41 S42 H115 G119 I122 R143 | I40-D117 PolarHBondContact O-N 3.22Å; F41-D117 CarbonylContact C-O 3.55Å; F41-D117 WeakPolarHBondContact CA-O 3.43Å; S42-D117 PolarHBondContact N-O 2.81Å; H115-D117 IonicContact NE2-OD2 2.84Å; D117-G119 VanDerWaalsContact OD1-CA 3.29Å; D117-G119 WeakPolarHBondContact OD1-CA 3.23Å; D117-G119 PolarHBondContact OD1-N 3.21Å; D117-I122 HydrophobicContact CB-CG2 3.37Å; D117-R143 PolarHBondContact O-NH2 2.97Å |
| 118 | G | 95.8 | Very high | 93.8 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 41% | 0.412 | 26% | 0.263 | S | S | . | . | trans | -86.3 | -10.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | R143 | G118-R143 PolarHBondContact O-NH1 2.9Š| ||
| 119 | G | 94.6 | Very high | 93.1 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 26% | 0.258 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -82 | -162.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F41 D117 R143 | F41-G119 WeakPolarHBondContact CE1-O 3.48Å; D117-G119 VanDerWaalsContact OD1-CA 3.29Å; D117-G119 WeakPolarHBondContact OD1-CA 3.23Å; D117-G119 PolarHBondContact OD1-N 3.21Å; G119-R143 PolarHBondContact O-NE 2.89Å; G119-R143 PolarHBondContact O-NH1 3.37Å |
| 120 | F | 95.6 | Very high | 92.8 | Very high | 124 Ų | 124 | 49.1 Ų | 49.1 | 54% | 0.544 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -108 | -14 | -173 | -70.8 | -91.2 | 0 | 0 | 0 | 114.1 | L142 R143 V198 | F120-L142 CarbonylContact O-C 3.43Å; F120-L142 WeakPolarHBondContact O-CA 3.24Å; F120-L142 WeakPolarHBondContact O-CD1 3.35Å; F120-R143 HydrophobicContact CD1-CB 4.26Å; F120-R143 PolarHBondContact O-N 3.5Å; F120-V198 HydrophobicContact CB-CB 4.24Å; F120-V198 HydrophobicContact CB-CG1 4Å; F120-V198 HydrophobicContact CB-CG2 4.03Å |
| 121 | A | 97.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 140.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | R141 V187 V198 S200 | A121-R141 CarbonylContact C-O 3.52Å; A121-R141 WeakPolarHBondContact CA-O 3.42Å; A121-V187 HydrophobicContact CB-CG2 4.42Å; A121-V198 HydrophobicContact CB-CG2 3.72Å; A121-S200 WeakPolarHBondContact O-CA 3.4Å; A121-S200 VanDerWaalsContact O-CB 3.25Å; A121-S200 WeakPolarHBondContact O-CB 3.31Å |
| 122 | I | 97.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 146.9 | 172.7 | 59.4 | -177.3 | 0 | 0 | 0 | 109.9 | R39 F41 D117 Q124 C140 R141 | R39-I122 HydrophobicContact CG-CB 4.37Å; R39-I122 HydrophobicContact CG-CG2 4.47Å; R39-I122 WeakPolarHBondContact O-CD1 3.38Å; F41-I122 HydrophobicContact CD1-CD1 4.4Å; F41-I122 HydrophobicContact CD1-CG2 3.94Å; F41-I122 HydrophobicContact CD2-CD1 4.02Å; F41-I122 HydrophobicContact CE1-CB 4.31Å; F41-I122 HydrophobicContact CE1-CD1 4.35Å; F41-I122 HydrophobicContact CE1-CG1 4.15Å; F41-I122 HydrophobicContact CE1-CG2 3.57Å; F41-I122 HydrophobicContact CE2-CD1 3.96Å; F41-I122 HydrophobicContact CE2-CG1 4Å; F41-I122 HydrophobicContact CG-CD1 4.25Å; F41-I122 HydrophobicContact CZ-CB 4.34Å; F41-I122 HydrophobicContact CZ-CD1 4.13Å; F41-I122 HydrophobicContact CZ-CG1 3.78Å; F41-I122 HydrophobicContact CZ-CG2 4.09Å; D117-I122 HydrophobicContact CB-CG2 3.37Å; I122-Q124 HydrophobicContact CD1-CG 4.3Å; I122-Q124 HydrophobicContact CG1-CG 4.32Å; I122-C140 CarbonylContact O-C 3.56Å; I122-C140 WeakPolarHBondContact O-CA 3.39Å; I122-R141 HydrophobicContact CD1-CB 4.36Å; I122-R141 HydrophobicContact CG1-CB 3.75Å; I122-R141 PolarHBondContact N-O 3.14Å; I122-R141 PolarHBondContact O-N 3.07Å |
| 123 | L | 96.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 118 | 170.8 | -172.1 | 67.6 | 0 | 0 | 0 | 109.2 | R39 L138 C140 L153 Y183 C185 | R39-L123 WeakPolarHBondContact CD-O 3.4Å; L123-L138 HydrophobicContact CD1-CB 4.06Å; L123-L138 HydrophobicContact CD2-CD2 4.34Å; L123-L138 HydrophobicContact CG-CD2 4.43Å; L123-C140 HydrophobicContact CD1-CB 4.45Å; L123-L153 HydrophobicContact CD1-CD1 4.26Å; L123-L153 HydrophobicContact CD2-CD1 4.26Å; L123-Y183 VanDerWaalsContact CD2-CB 3.48Å; L123-Y183 WeakPolarHBondContact CD2-O 3.28Å; L123-C185 HydrophobicContact CD1-CB 4.12Å |
| 124 | Q | 95.6 | Very high | 92.4 | Very high | 10 Ų | 10 | 40.3 Ų | 40.3 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 140.8 | 177.5 | -61.9 | -175.9 | -45.5 | 0 | 0 | 110.6 | D37 R39 I122 L138 K139 | D37-Q124 VanDerWaalsContact CB-NE2 3.3Å; D37-Q124 PolarHBondContact OD2-NE2 3.5Å; D37-Q124 PolarHBondContact OD2-OE1 2.74Å; R39-Q124 PolarHBondContact O-NE2 2.81Å; I122-Q124 HydrophobicContact CD1-CG 4.3Å; I122-Q124 HydrophobicContact CG1-CG 4.32Å; Q124-L138 WeakPolarHBondContact O-CA 3.38Å; Q124-K139 HydrophobicContact CB-CB 4.42Å; Q124-K139 PolarHBondContact N-O 3.17Å; Q124-K139 PolarHBondContact O-N 3.32Å |
| 125 | L | 92.6 | Very high | 92.3 | Very high | 23 Ų | 23 | 41.9 Ų | 41.9 | 12% | 0.12 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.7 | 175.4 | -79.7 | 68.1 | 0 | 0 | 0 | 108.6 | K127 L138 T203 V205 | L125-K127 VanDerWaalsContact C-N 3.3Å; L125-K127 PolarHBondContact O-N 2.89Å; L125-L138 HydrophobicContact CD1-CD2 3.83Å; L125-L138 HydrophobicContact CG-CD2 3.69Å; L125-T203 HydrophobicContact CD1-CG2 3.73Å; L125-V205 HydrophobicContact CD2-CG1 4.39Å; L125-V205 HydrophobicContact CD2-CG2 3.96Å |
| 126 | A | 87.9 | Confident | 92.3 | Very high | 75 Ų | 75 | 38.9 Ų | 38.9 | 62% | 0.62 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -67 | -33.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D137 | A126-D137 HydrophobicContact CB-CB 3.88Å; A126-D137 PolarHBondContact N-O 2.87Å |
| 127 | K | 83.8 | Confident | 92.2 | Very high | 119 Ų | 119 | 42.3 Ų | 42.3 | 52% | 0.517 | 26% | 0.256 | S | S | . | . | trans | -131.8 | 137.6 | 179 | -63.4 | 179.3 | -175.1 | 172.3 | 0 | 110.1 | L125 V130 | L125-K127 VanDerWaalsContact C-N 3.3Å; L125-K127 PolarHBondContact O-N 2.89Å; K127-V130 HydrophobicContact CB-CG2 4.46Å | ||
| 128 | R | 75.3 | Confident | 92.2 | Very high | 98 Ų | 98 | 41.9 Ų | 41.9 | 37% | 0.37 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -77.8 | -32.8 | 179.5 | -68.8 | -177.6 | 177.2 | -98.9 | 19.2 | 113.6 | Y112 E113 | Y112-R128 VanDerWaalsContact CD1-NH2 3.34Å; Y112-R128 VanDerWaalsContact CE2-NE 3.29Å; Y112-R128 PolarHBondContact OH-NE 2.85Å; Y112-R128 VanDerWaalsContact OH-NE 3.09Å; Y112-R128 PolarHBondContact OH-NH2 3.44Å; E113-R128 PolarHBondContact O-NH1 2.7Å; E113-R128 VanDerWaalsContact O-NH1 3.07Å; E113-R128 PolarHBondContact O-NH2 3.35Å |
| 129 | S | 80.7 | Confident | 92.2 | Very high | 81 Ų | 81 | 44.7 Ų | 44.7 | 57% | 0.566 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -118.3 | 125.4 | 176.9 | -56.6 | 0 | 0 | 0 | 0 | 107.7 | ||
| 130 | V | 92.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 133.2 | -179.2 | -174.6 | 0 | 0 | 0 | 0 | 107.6 | K127 D134 L136 V175 I207 L208 | K127-V130 HydrophobicContact CB-CG2 4.46Å; V130-D134 HydrophobicContact CG1-CB 3.73Å; V130-L136 HydrophobicContact CG2-CD1 3.96Å; V130-V175 HydrophobicContact CG1-CG2 3.54Å; V130-I207 WeakPolarHBondContact O-CA 3.48Å; V130-L208 PolarHBondContact O-N 3.42Å |
| 131 | L | 93 | Very high | 92.3 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 155.3 | 177.8 | -56 | 177.5 | 0 | 0 | 0 | 110.3 | G133 D134 L208 V210 N239 P241 | L131-G133 PolarHBondContact O-N 3.38Å; L131-D134 WeakPolarHBondContact CB-OD2 3.41Å; L131-D134 PolarHBondContact N-OD2 3.33Å; L131-D134 VanDerWaalsContact O-CB 3.24Å; L131-D134 WeakPolarHBondContact O-CB 3.38Å; L131-D134 PolarHBondContact O-N 2.89Å; L131-L208 CarbonylContact C-O 3.55Å; L131-L208 VanDerWaalsContact CA-O 3.23Å; L131-L208 WeakPolarHBondContact CA-O 3.12Å; L131-L208 HydrophobicContact CD2-CB 3.93Å; L131-V210 HydrophobicContact CB-CG2 4.33Å; L131-V210 HydrophobicContact CD1-CG2 4.15Å; L131-N239 HydrophobicContact CD2-CB 3.83Å; L131-P241 HydrophobicContact CD1-CG 4.3Å |
| 132 | V | 93.6 | Very high | 92.2 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 129.6 | 171.8 | 175.6 | 0 | 0 | 0 | 0 | 109.8 | D134 L177 I207 L208 E209 | V132-D134 VanDerWaalsContact C-N 3.33Å; V132-L177 HydrophobicContact CG2-CD2 3.75Å; V132-L177 HydrophobicContact CG2-CG 3.9Å; V132-I207 HydrophobicContact CG2-CG2 3.88Å; V132-L208 PolarHBondContact N-O 3.18Å; V132-E209 HydrophobicContact CG2-CG 4.37Å |
| 133 | G | 91.4 | Very high | 92.1 | Very high | 40 Ų | 40 | 45 Ų | 45 | 41% | 0.412 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -8.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L131 V175 | L131-G133 PolarHBondContact O-N 3.38Å; G133-V175 PolarHBondContact N-O 3.37Å |
| 134 | D | 92.6 | Very high | 91.7 | Very high | 52 Ų | 52 | 48.1 Ų | 48.1 | 28% | 0.278 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -71.1 | 163.4 | 171.9 | -75 | -16.7 | 0 | 0 | 0 | 111.3 | V130 L131 V132 P173 V175 | V130-D134 HydrophobicContact CG1-CB 3.73Å; L131-D134 WeakPolarHBondContact CB-OD2 3.41Å; L131-D134 PolarHBondContact N-OD2 3.33Å; L131-D134 VanDerWaalsContact O-CB 3.24Å; L131-D134 WeakPolarHBondContact O-CB 3.38Å; L131-D134 PolarHBondContact O-N 2.89Å; V132-D134 VanDerWaalsContact C-N 3.33Å; D134-P173 CarbonylContact C-O 3.59Å; D134-V175 WeakPolarHBondContact O-CG2 3.42Å; D134-V175 PolarHBondContact O-N 3.23Å |
| 135 | A | 94.1 | Very high | 91.3 | Very high | 33 Ų | 33 | 55.6 Ų | 55.6 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | trans | -83 | 133.5 | 165 | 0 | 0 | 0 | 0 | 0 | 111.2 | L172 P173 | A135-L172 CarbonylContact C-O 3.52Å; A135-L172 VanDerWaalsContact CA-O 3.23Å; A135-L172 WeakPolarHBondContact CA-O 3.26Å; A135-P173 WeakPolarHBondContact CA-O 3.41Å; A135-P173 PolarHBondContact N-O 2.93Å | ||
| 136 | L | 94.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 111.3 | 171.2 | 173.6 | 68 | 0 | 0 | 0 | 109.6 | V130 L138 L172 V175 V205 | V130-L136 HydrophobicContact CG2-CD1 3.96Å; L136-L138 HydrophobicContact CD1-CD2 3.97Å; L136-L138 HydrophobicContact CD1-CG 4.28Å; L136-L138 HydrophobicContact CD2-CD1 4.13Å; L136-L138 HydrophobicContact CD2-CG 4.33Å; L136-L138 HydrophobicContact CG-CD1 4.33Å; L136-L138 HydrophobicContact CG-CD2 4.24Å; L136-L138 HydrophobicContact CG-CG 4.01Å; L136-L172 HydrophobicContact CB-CB 4.26Å; L136-L172 PolarHBondContact N-O 3.16Å; L136-L172 PolarHBondContact O-N 3.06Å; L136-V175 HydrophobicContact CB-CG1 3.49Å; L136-V175 VanDerWaalsContact CB-CG1 3.49Å; L136-V175 HydrophobicContact CD2-CG1 4.34Å; L136-V205 HydrophobicContact CD1-CG1 3.99Å; L136-V205 HydrophobicContact CD2-CG1 4.04Å |
| 137 | D | 95.1 | Very high | 91.5 | Very high | 73 Ų | 73 | 56.6 Ų | 56.6 | 39% | 0.39 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 119.2 | 175.1 | -68 | -53 | 0 | 0 | 0 | 110.6 | A126 H171 | A126-D137 HydrophobicContact CB-CB 3.88Å; A126-D137 PolarHBondContact N-O 2.87Å; D137-H171 IonicContact OD1-CE1 3.92Å; D137-H171 IonicContact OD1-CG 3.81Å; D137-H171 IonicContact OD1-ND1 3.57Å; D137-H171 PolarHBondContact OD1-ND1 3.47Å |
| 138 | L | 96.1 | Very high | 92 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132.4 | 179.1 | -60.7 | 170.4 | 0 | 0 | 0 | 109.7 | L123 Q124 L125 L136 L153 N169 F170 Y183 | L123-L138 HydrophobicContact CD1-CB 4.06Å; L123-L138 HydrophobicContact CD2-CD2 4.34Å; L123-L138 HydrophobicContact CG-CD2 4.43Å; Q124-L138 WeakPolarHBondContact O-CA 3.38Å; L125-L138 HydrophobicContact CD1-CD2 3.83Å; L125-L138 HydrophobicContact CG-CD2 3.69Å; L136-L138 HydrophobicContact CD1-CD2 3.97Å; L136-L138 HydrophobicContact CD1-CG 4.28Å; L136-L138 HydrophobicContact CD2-CD1 4.13Å; L136-L138 HydrophobicContact CD2-CG 4.33Å; L136-L138 HydrophobicContact CG-CD1 4.33Å; L136-L138 HydrophobicContact CG-CD2 4.24Å; L136-L138 HydrophobicContact CG-CG 4.01Å; L138-L153 HydrophobicContact CD1-CD1 3.94Å; L138-L153 HydrophobicContact CD1-CD2 3.73Å; L138-L153 HydrophobicContact CD1-CG 4.48Å; L138-N169 CarbonylContact O-C 3.58Å; L138-N169 WeakPolarHBondContact O-CA 3.37Å; L138-F170 HydrophobicContact CB-CB 4.23Å; L138-F170 PolarHBondContact N-O 2.79Å; L138-F170 PolarHBondContact O-N 2.87Å; L138-Y183 HydrophobicContact CD1-CD1 3.83Å; L138-Y183 HydrophobicContact CD1-CE1 4.24Å; L138-Y183 HydrophobicContact CD1-CG 4.34Å |
| 139 | K | 96.3 | Very high | 92.9 | Very high | 99 Ų | 99 | 50.1 Ų | 50.1 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 114.8 | 175.9 | -178.9 | 174.3 | -177.8 | -179.2 | 0 | 109.8 | Q124 R141 N169 | Q124-K139 HydrophobicContact CB-CB 4.42Å; Q124-K139 PolarHBondContact N-O 3.17Å; Q124-K139 PolarHBondContact O-N 3.32Å; K139-R141 HydrophobicContact CG-CG 4.46Å; K139-N169 WeakPolarHBondContact CG-OD1 3.25Å |
| 140 | C | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 124.1 | 169.4 | -164.6 | 0 | 0 | 0 | 0 | 108.6 | I122 L123 T151 L168 F170 C185 V187 | I122-C140 CarbonylContact O-C 3.56Å; I122-C140 WeakPolarHBondContact O-CA 3.39Å; L123-C140 HydrophobicContact CD1-CB 4.45Å; C140-T151 HydrophobicContact CB-CG2 4.02Å; C140-L168 HydrophobicContact CB-CD2 4.33Å; C140-L168 PolarHBondContact N-O 2.81Å; C140-L168 VanDerWaalsContact O-CB 3.29Å; C140-L168 WeakPolarHBondContact O-CB 3.15Å; C140-F170 HydrophobicContact CB-CE2 4.36Å; C140-C185 HydrophobicContact CB-CB 3.66Å; C140-C185 WeakPolarHBondContact CB-SG 3.23Å; C140-C185 WeakPolarHBondContact SG-CB 3.5Å; C140-C185 CovalentContact SG-SG 2.03Å; C140-C185 PolarHBondContact SG-SG 2.89Å; C140-V187 HydrophobicContact CB-CG2 4.47Å; C140-V187 WeakPolarHBondContact SG-CG2 3.32Å |
| 141 | R | 96 | Very high | 93.9 | Very high | 63 Ų | 63 | 49.1 Ų | 49.1 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.9 | 174.4 | -92.8 | 179.5 | 61.3 | 160.3 | -5.8 | 109.8 | F41 E44 A121 I122 K139 | F41-R141 HydrophobicContact CE2-CB 4.28Å; F41-R141 WeakPolarHBondContact CZ-O 3.3Å; E44-R141 VanDerWaalsContact CD-NH2 3.26Å; E44-R141 IonicContact OE1-CZ 3.76Å; E44-R141 IonicContact OE1-NH1 2.73Å; E44-R141 IonicContact OE1-NH2 3.81Å; E44-R141 PolarHBondContact OE1-NH2 2.85Å; E44-R141 IonicContact OE2-CZ 3.81Å; E44-R141 IonicContact OE2-NH2 2.68Å; E44-R141 PolarHBondContact OE2-NH2 3.49Å; A121-R141 CarbonylContact C-O 3.52Å; A121-R141 WeakPolarHBondContact CA-O 3.42Å; I122-R141 HydrophobicContact CD1-CB 4.36Å; I122-R141 HydrophobicContact CG1-CB 3.75Å; I122-R141 PolarHBondContact N-O 3.14Å; I122-R141 PolarHBondContact O-N 3.07Å; K139-R141 HydrophobicContact CG-CG 4.46Å |
| 142 | L | 95.6 | Very high | 94.2 | Very high | 20 Ų | 20 | 48.9 Ų | 48.9 | 11% | 0.105 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 141.5 | 169.5 | -172.8 | 70 | 0 | 0 | 0 | 109.4 | F120 A146 V148 V187 W189 V198 | F120-L142 CarbonylContact O-C 3.43Å; F120-L142 WeakPolarHBondContact O-CA 3.24Å; F120-L142 WeakPolarHBondContact O-CD1 3.35Å; L142-A146 HydrophobicContact CD2-CB 3.81Å; L142-V148 HydrophobicContact CD2-CG2 3.87Å; L142-V187 HydrophobicContact CB-CG1 4.4Å; L142-V187 HydrophobicContact CD1-CB 4.17Å; L142-V187 HydrophobicContact CD1-CG1 4.22Å; L142-V187 HydrophobicContact CD2-CG1 4.1Å; L142-V187 HydrophobicContact CG-CG1 4.49Å; L142-W189 HydrophobicContact CD1-CE3 4.31Å; L142-W189 HydrophobicContact CD1-CH2 4.08Å; L142-W189 HydrophobicContact CD1-CZ3 3.7Å; L142-W189 HydrophobicContact CD2-CD2 4.43Å; L142-W189 HydrophobicContact CD2-CE3 4.04Å; L142-W189 HydrophobicContact CD2-CZ3 4.21Å; L142-V198 HydrophobicContact CD1-CG2 3.57Å |
| 143 | R | 94.3 | Very high | 94.4 | Very high | 75 Ų | 75 | 46 Ų | 46 | 28% | 0.283 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -74.4 | 129.9 | 172 | -177.3 | 177.1 | -86.9 | 169.7 | -7.6 | 109.5 | F41 S42 D117 G118 G119 F120 | F41-R143 HydrophobicContact CD2-CB 4.45Å; F41-R143 HydrophobicContact CE1-CB 4.25Å; F41-R143 HydrophobicContact CE2-CB 4.02Å; F41-R143 HydrophobicContact CZ-CB 3.92Å; S42-R143 PolarHBondContact O-NH2 3.45Å; S42-R143 PolarHBondContact OG-NH2 2.66Å; D117-R143 PolarHBondContact O-NH2 2.97Å; G118-R143 PolarHBondContact O-NH1 2.9Å; G119-R143 PolarHBondContact O-NE 2.89Å; G119-R143 PolarHBondContact O-NH1 3.37Å; F120-R143 HydrophobicContact CD1-CB 4.26Å; F120-R143 PolarHBondContact O-N 3.5Å |
| 144 | G | 89 | Confident | 94.8 | Very high | 67 Ų | 67 | 45.3 Ų | 45.3 | 69% | 0.691 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 82.6 | -164 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 145 | N | 87.4 | Confident | 95 | Very high | 167 Ų | 167 | 45.9 Ų | 45.9 | 89% | 0.893 | 25% | 0.249 | S | C | * | . | trans | -129.3 | 59.1 | -174.3 | -166.4 | 23.3 | 0 | 0 | 0 | 111.8 | ||||
| 146 | A | 91.3 | Very high | 95.2 | Very high | 26 Ų | 26 | 48.8 Ų | 48.8 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | trans | -79.8 | 147.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L142 V148 W189 | L142-A146 HydrophobicContact CD2-CB 3.81Å; A146-V148 PolarHBondContact O-N 3.01Å; A146-W189 HydrophobicContact CB-CB 4.27Å; A146-W189 HydrophobicContact CB-CD2 4.03Å; A146-W189 HydrophobicContact CB-CG 3.72Å | ||
| 147 | P | 92.1 | Very high | 95.2 | Very high | 93 Ų | 93 | 51.5 Ų | 51.5 | 60% | 0.604 | 29% | 0.289 | S | S | * | . | trans | -75.9 | 85.7 | 179 | 31.6 | -34.6 | 0 | 0 | 0 | 110.9 | H149 W189 | P147-H149 PolarHBondContact O-N 3.46Å; P147-W189 WeakPolarHBondContact O-CB 3.18Å | ||
| 148 | V | 95.3 | Very high | 95.3 | Very high | 16 Ų | 16 | 53.8 Ų | 53.8 | 10% | 0.097 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 132.7 | 178 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | L142 A146 G165 S166 L168 V187 | L142-V148 HydrophobicContact CD2-CG2 3.87Å; A146-V148 PolarHBondContact O-N 3.01Å; V148-G165 CarbonylContact O-C 3.49Å; V148-S166 WeakPolarHBondContact O-CA 3.48Å; V148-L168 HydrophobicContact CG1-CD2 4.45Å; V148-L168 HydrophobicContact CG2-CD2 4.47Å; V148-V187 HydrophobicContact CB-CG1 4.21Å; V148-V187 HydrophobicContact CG1-CG1 3.62Å; V148-V187 HydrophobicContact CG2-CG1 3.47Å; V148-V187 VanDerWaalsContact CG2-CG1 3.47Å |
| 149 | H | 94.8 | Very high | 95.4 | Very high | 64 Ų | 64 | 58.6 Ų | 58.6 | 30% | 0.296 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | -15.4 | 173.4 | 69.1 | -113.2 | 0 | 0 | 0 | 112.9 | P147 G165 S188 D190 | P147-H149 PolarHBondContact O-N 3.46Å; H149-G165 CarbonylContact C-O 3.56Å; H149-G165 WeakPolarHBondContact CA-O 3.39Å; H149-G165 WeakPolarHBondContact O-CA 3.34Å; H149-G165 PolarHBondContact O-N 3.45Å; H149-S188 PolarHBondContact N-O 3.03Å; H149-D190 VanDerWaalsContact CE1-CG 3.49Å; H149-D190 IonicContact CE1-OD1 3.38Å; H149-D190 PolarHBondContact CE1-OD1 2.95Å; H149-D190 IonicContact CE1-OD2 3.2Å; H149-D190 PolarHBondContact CE1-OD2 2.84Å; H149-D190 IonicContact CG-OD2 3.66Å; H149-D190 IonicContact ND1-OD1 2.78Å; H149-D190 IonicContact ND1-OD2 2.69Å; H149-D190 PolarHBondContact ND1-OD2 2.78Å |
| 150 | Q | 96.1 | Very high | 95.4 | Very high | 63 Ų | 63 | 56.6 Ų | 56.6 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 139.8 | 178 | -177.7 | -179 | 53.1 | 0 | 0 | 111.9 | I152 V162 Q163 G165 S188 | Q150-I152 HydrophobicContact CG-CG1 4.09Å; Q150-V162 HydrophobicContact CG-CG1 4.23Å; Q150-Q163 WeakPolarHBondContact CA-O 3.36Å; Q150-G165 PolarHBondContact N-O 3.27Å; Q150-S188 PolarHBondContact N-O 2.92Å; Q150-S188 PolarHBondContact O-N 2.68Å |
| 151 | T | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 131.8 | 170.3 | -45.1 | 0 | 0 | 0 | 0 | 110 | C140 Q163 S167 L168 F170 R186 V187 | C140-T151 HydrophobicContact CB-CG2 4.02Å; T151-Q163 PolarHBondContact N-O 3.12Å; T151-Q163 PolarHBondContact O-N 2.96Å; T151-S167 WeakPolarHBondContact CB-O 3.44Å; T151-S167 PolarHBondContact OG1-O 2.99Å; T151-L168 HydrophobicContact CG2-CD2 4.17Å; T151-F170 HydrophobicContact CG2-CE2 3.76Å; T151-F170 HydrophobicContact CG2-CZ 3.63Å; T151-R186 CarbonylContact C-O 3.52Å; T151-R186 VanDerWaalsContact CA-O 3.31Å; T151-R186 WeakPolarHBondContact CA-O 3.43Å; T151-V187 HydrophobicContact CG2-CG2 4.16Å |
| 152 | I | 98.1 | Very high | 95.5 | Very high | 10 Ų | 10 | 58.9 Ų | 58.9 | 5% | 0.051 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 133.6 | -179 | -53.3 | 177.3 | 0 | 0 | 0 | 109.1 | Q150 Y154 Q159 V162 C185 R186 | Q150-I152 HydrophobicContact CG-CG1 4.09Å; I152-Y154 HydrophobicContact CB-CE2 3.78Å; I152-Y154 HydrophobicContact CG2-CD2 4.06Å; I152-Y154 HydrophobicContact CG2-CE1 4.41Å; I152-Y154 HydrophobicContact CG2-CE2 3.44Å; I152-Y154 VanDerWaalsContact CG2-CE2 3.44Å; I152-Q159 HydrophobicContact CG2-CB 4.34Å; I152-Q159 HydrophobicContact CG2-CG 3.59Å; I152-V162 HydrophobicContact CG1-CG1 4.38Å; I152-V162 HydrophobicContact CG1-CG2 4.35Å; I152-V162 HydrophobicContact CG2-CG2 4.29Å; I152-C185 CarbonylContact O-C 3.54Å; I152-C185 WeakPolarHBondContact O-CA 3.17Å; I152-R186 HydrophobicContact CB-CB 4.39Å; I152-R186 PolarHBondContact N-O 2.84Å; I152-R186 PolarHBondContact O-N 2.82Å |
| 153 | L | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 133.3 | 172.1 | -172.6 | 69.9 | 0 | 0 | 0 | 110 | L123 L138 V160 M161 F170 L172 Y183 | L123-L153 HydrophobicContact CD1-CD1 4.26Å; L123-L153 HydrophobicContact CD2-CD1 4.26Å; L138-L153 HydrophobicContact CD1-CD1 3.94Å; L138-L153 HydrophobicContact CD1-CD2 3.73Å; L138-L153 HydrophobicContact CD1-CG 4.48Å; L153-V160 HydrophobicContact CB-CG2 4.08Å; L153-V160 HydrophobicContact CD2-CG2 3.84Å; L153-V160 HydrophobicContact CG-CG2 3.8Å; L153-V160 WeakPolarHBondContact O-CG2 3.21Å; L153-V160 PolarHBondContact O-N 2.81Å; L153-M161 HydrophobicContact CB-CB 4.14Å; L153-M161 HydrophobicContact CD2-SD 4.21Å; L153-M161 PolarHBondContact N-O 2.82Å; L153-M161 PolarHBondContact O-N 2.87Å; L153-F170 HydrophobicContact CB-CD1 3.74Å; L153-F170 HydrophobicContact CB-CD2 4.25Å; L153-F170 HydrophobicContact CB-CE1 3.55Å; L153-F170 HydrophobicContact CB-CE2 4.1Å; L153-F170 HydrophobicContact CB-CG 4.09Å; L153-F170 HydrophobicContact CB-CZ 3.75Å; L153-F170 HydrophobicContact CD1-CD2 4.19Å; L153-F170 HydrophobicContact CD1-CE2 4.37Å; L153-F170 HydrophobicContact CD1-CG 4.49Å; L153-F170 HydrophobicContact CD2-CB 4.01Å; L153-F170 HydrophobicContact CD2-CD1 4.13Å; L153-F170 HydrophobicContact CD2-CD2 4.47Å; L153-F170 HydrophobicContact CD2-CG 3.96Å; L153-F170 HydrophobicContact CG-CD1 4.49Å; L153-F170 HydrophobicContact CG-CG 4.42Å; L153-L172 HydrophobicContact CD2-CD1 4.44Å; L153-Y183 HydrophobicContact CD1-CD1 4.06Å; L153-Y183 HydrophobicContact CD2-CD1 3.94Å; L153-Y183 HydrophobicContact CD2-CE1 4.13Å; L153-Y183 HydrophobicContact CG-CD1 4.01Å |
| 154 | Y | 98.4 | Very high | 95.3 | Very high | 25 Ų | 25 | 61.5 Ų | 61.5 | 10% | 0.098 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141.3 | 175.6 | -63.5 | -97.5 | 0 | 0 | 0 | 110.1 | I152 G157 I158 Q159 Y183 S184 R186 | I152-Y154 HydrophobicContact CB-CE2 3.78Å; I152-Y154 HydrophobicContact CG2-CD2 4.06Å; I152-Y154 HydrophobicContact CG2-CE1 4.41Å; I152-Y154 HydrophobicContact CG2-CE2 3.44Å; I152-Y154 VanDerWaalsContact CG2-CE2 3.44Å; Y154-G157 WeakPolarHBondContact CD1-O 3.29Å; Y154-I158 CarbonylContact C-O 3.45Å; Y154-I158 WeakPolarHBondContact CA-O 3.19Å; Y154-Q159 HydrophobicContact CD1-CB 4.16Å; Y154-Q159 HydrophobicContact CE1-CB 3.97Å; Y154-Y183 CarbonylContact O-C 3.05Å; Y154-Y183 WeakPolarHBondContact O-CA 3.08Å; Y154-S184 PolarHBondContact N-O 2.69Å; Y154-S184 PolarHBondContact O-N 2.89Å; Y154-R186 HydrophobicContact CE2-CB 3.79Å; Y154-R186 PolarHBondContact OH-NH1 2.85Å |
| 155 | R | 97.8 | Very high | 95.3 | Very high | 63 Ų | 63 | 59.9 Ų | 59.9 | 24% | 0.238 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 119.8 | 167.4 | -177.3 | 174.5 | 76.5 | -161.4 | 14.4 | 108.2 | G157 I158 V160 E178 D179 Y183 | R155-G157 PolarHBondContact O-N 3.09Å; R155-G157 VanDerWaalsContact O-N 3.12Å; R155-I158 PolarHBondContact N-O 3.35Å; R155-I158 WeakPolarHBondContact O-CB 3.27Å; R155-I158 PolarHBondContact O-N 3.34Å; R155-V160 HydrophobicContact CB-CG1 3.63Å; R155-V160 HydrophobicContact CB-CG2 4.25Å; R155-E178 PolarHBondContact NH2-O 2.96Å; R155-D179 IonicContact CZ-OD1 3.74Å; R155-D179 IonicContact NH1-OD1 3.65Å; R155-D179 PolarHBondContact NH1-OD1 2.78Å; R155-Y183 HydrophobicContact CB-CD1 4.28Å; R155-Y183 HydrophobicContact CB-CE1 4.01Å; R155-Y183 VanDerWaalsContact CD-OH 3.26Å; R155-Y183 WeakPolarHBondContact CD-OH 3.39Å; R155-Y183 HydrophobicContact CG-CD2 4.41Å; R155-Y183 HydrophobicContact CG-CE1 4.23Å; R155-Y183 HydrophobicContact CG-CE2 3.95Å |
| 156 | D | 97.4 | Very high | 95.5 | Very high | 94 Ų | 94 | 56.6 Ų | 56.6 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 36.2 | -178.2 | -55.6 | -49.7 | 0 | 0 | 0 | 113.3 | I158 R182 | D156-I158 VanDerWaalsContact C-N 3.28Å; D156-I158 PolarHBondContact O-N 2.75Å; D156-R182 PolarHBondContact N-O 2.94Å; D156-R182 WeakPolarHBondContact OD1-CB 3.5Å; D156-R182 PolarHBondContact OD1-N 2.87Å |
| 157 | G | 96.2 | Very high | 95.7 | Very high | 61 Ų | 61 | 57.2 Ų | 57.2 | 63% | 0.629 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | -5.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y154 R155 | Y154-G157 WeakPolarHBondContact CD1-O 3.29Å; R155-G157 PolarHBondContact O-N 3.09Å; R155-G157 VanDerWaalsContact O-N 3.12Å |
| 158 | I | 97.3 | Very high | 95.9 | Very high | 121 Ų | 121 | 54.6 Ų | 54.6 | 62% | 0.621 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131.8 | 177.5 | -55.7 | 177.5 | 0 | 0 | 0 | 109.4 | Y154 R155 D156 V160 | Y154-I158 CarbonylContact C-O 3.45Å; Y154-I158 WeakPolarHBondContact CA-O 3.19Å; R155-I158 PolarHBondContact N-O 3.35Å; R155-I158 WeakPolarHBondContact O-CB 3.27Å; R155-I158 PolarHBondContact O-N 3.34Å; D156-I158 VanDerWaalsContact C-N 3.28Å; D156-I158 PolarHBondContact O-N 2.75Å; I158-V160 PolarHBondContact O-N 3.04Å |
| 159 | Q | 97.4 | Very high | 95.9 | Very high | 104 Ų | 104 | 58.1 Ų | 58.1 | 49% | 0.486 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 122.9 | 174.7 | 174.3 | 176.2 | -49.1 | 0 | 0 | 110.4 | I152 Y154 V162 | I152-Q159 HydrophobicContact CG2-CB 4.34Å; I152-Q159 HydrophobicContact CG2-CG 3.59Å; Y154-Q159 HydrophobicContact CD1-CB 4.16Å; Y154-Q159 HydrophobicContact CE1-CB 3.97Å; Q159-V162 HydrophobicContact CG-CG2 4.23Å |
| 160 | V | 97 | Very high | 96 | Very high | 56 Ų | 56 | 55.1 Ų | 55.1 | 34% | 0.339 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | -30.8 | -179.2 | -68.2 | 0 | 0 | 0 | 0 | 113.2 | L153 R155 I158 Y183 | L153-V160 HydrophobicContact CB-CG2 4.08Å; L153-V160 HydrophobicContact CD2-CG2 3.84Å; L153-V160 HydrophobicContact CG-CG2 3.8Å; L153-V160 WeakPolarHBondContact O-CG2 3.21Å; L153-V160 PolarHBondContact O-N 2.81Å; R155-V160 HydrophobicContact CB-CG1 3.63Å; R155-V160 HydrophobicContact CB-CG2 4.25Å; I158-V160 PolarHBondContact O-N 3.04Å; V160-Y183 HydrophobicContact CG2-CE1 4.5Å |
| 161 | M | 96.8 | Very high | 96 | Very high | 53 Ų | 53 | 57 Ų | 57 | 26% | 0.261 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 150.2 | 179.1 | -62.7 | 179.1 | 71.7 | 0 | 0 | 111.4 | L153 F170 L172 | L153-M161 HydrophobicContact CB-CB 4.14Å; L153-M161 HydrophobicContact CD2-SD 4.21Å; L153-M161 PolarHBondContact N-O 2.82Å; L153-M161 PolarHBondContact O-N 2.87Å; M161-F170 HydrophobicContact CB-CD1 3.8Å; M161-F170 HydrophobicContact CB-CE1 4.02Å; M161-F170 HydrophobicContact CE-CD1 4.25Å; M161-F170 HydrophobicContact SD-CB 4.26Å; M161-F170 HydrophobicContact SD-CD1 4.15Å; M161-L172 HydrophobicContact SD-CD1 3.63Å; M161-L172 HydrophobicContact SD-CG 4.17Å |
| 162 | V | 97.4 | Very high | 95.9 | Very high | 58 Ų | 58 | 58.2 Ų | 58.2 | 35% | 0.352 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 132.5 | 173.5 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | Q150 I152 Q159 | Q150-V162 HydrophobicContact CG-CG1 4.23Å; I152-V162 HydrophobicContact CG1-CG1 4.38Å; I152-V162 HydrophobicContact CG1-CG2 4.35Å; I152-V162 HydrophobicContact CG2-CG2 4.29Å; Q159-V162 HydrophobicContact CG-CG2 4.23Å |
| 163 | Q | 96 | Very high | 95.7 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 23% | 0.234 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.9 | 170.2 | -66.1 | -66 | -15.8 | 0 | 0 | 108.2 | Q150 T151 N169 F170 | Q150-Q163 WeakPolarHBondContact CA-O 3.36Å; T151-Q163 PolarHBondContact N-O 3.12Å; T151-Q163 PolarHBondContact O-N 2.96Å; Q163-N169 PolarHBondContact NE2-O 3.26Å; Q163-F170 HydrophobicContact CB-CE1 4.32Å; Q163-F170 HydrophobicContact CG-CD1 3.81Å; Q163-F170 HydrophobicContact CG-CE1 3.44Å; Q163-F170 VanDerWaalsContact CG-CE1 3.44Å; Q163-F170 HydrophobicContact CG-CZ 3.97Å |
| 164 | S | 90.1 | Very high | 95.5 | Very high | 100 Ų | 100 | 67.9 Ų | 67.9 | 70% | 0.699 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 147.8 | 172.7 | -60.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 165 | G | 89.4 | Confident | 95.3 | Very high | 34 Ų | 34 | 66.8 Ų | 66.8 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -149.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V148 H149 Q150 S167 | V148-G165 CarbonylContact O-C 3.49Å; H149-G165 CarbonylContact C-O 3.56Å; H149-G165 WeakPolarHBondContact CA-O 3.39Å; H149-G165 WeakPolarHBondContact O-CA 3.34Å; H149-G165 PolarHBondContact O-N 3.45Å; Q150-G165 PolarHBondContact N-O 3.27Å; G165-S167 VanDerWaalsContact C-N 3.34Å; G165-S167 PolarHBondContact O-N 2.86Å |
| 166 | S | 91.8 | Very high | 95.2 | Very high | 97 Ų | 97 | 66.8 Ų | 66.8 | 68% | 0.678 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 4.6 | -173.1 | 57.1 | 0 | 0 | 0 | 0 | 114.4 | V148 L168 | V148-S166 WeakPolarHBondContact O-CA 3.48Å; S166-L168 PolarHBondContact O-N 2.83Å |
| 167 | S | 94.6 | Very high | 95 | Very high | 39 Ų | 39 | 66.4 Ų | 66.4 | 27% | 0.273 | 39% | 0.389 | S | S | . | . | trans | -69.6 | 130.2 | -178.8 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | T151 G165 | T151-S167 WeakPolarHBondContact CB-O 3.44Å; T151-S167 PolarHBondContact OG1-O 2.99Å; G165-S167 VanDerWaalsContact C-N 3.34Å; G165-S167 PolarHBondContact O-N 2.86Å | ||
| 168 | L | 95.5 | Very high | 94.9 | Very high | 39 Ų | 39 | 71.3 Ų | 71.3 | 20% | 0.204 | 40% | 0.396 | C | S | . | . | trans | -115.7 | -0.7 | -178.8 | -77.4 | 176.4 | 0 | 0 | 0 | 112.5 | C140 V148 T151 S166 V187 | C140-L168 HydrophobicContact CB-CD2 4.33Å; C140-L168 PolarHBondContact N-O 2.81Å; C140-L168 VanDerWaalsContact O-CB 3.29Å; C140-L168 WeakPolarHBondContact O-CB 3.15Å; V148-L168 HydrophobicContact CG1-CD2 4.45Å; V148-L168 HydrophobicContact CG2-CD2 4.47Å; T151-L168 HydrophobicContact CG2-CD2 4.17Å; S166-L168 PolarHBondContact O-N 2.83Å; L168-V187 HydrophobicContact CD2-CG1 4.05Å; L168-V187 HydrophobicContact CD2-CG2 4.12Å | ||
| 169 | N | 96.4 | Very high | 94.8 | Very high | 89 Ų | 89 | 66.9 Ų | 66.9 | 48% | 0.476 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 141.9 | -175.6 | -52.7 | -68.1 | 0 | 0 | 0 | 110.3 | L138 K139 Q163 | L138-N169 CarbonylContact O-C 3.58Å; L138-N169 WeakPolarHBondContact O-CA 3.37Å; K139-N169 WeakPolarHBondContact CG-OD1 3.25Å; Q163-N169 PolarHBondContact NE2-O 3.26Å |
| 170 | F | 96.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.009 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.4 | 172.7 | -56.4 | -91.2 | 0 | 0 | 0 | 108.6 | L138 C140 T151 L153 M161 Q163 | L138-F170 HydrophobicContact CB-CB 4.23Å; L138-F170 PolarHBondContact N-O 2.79Å; L138-F170 PolarHBondContact O-N 2.87Å; C140-F170 HydrophobicContact CB-CE2 4.36Å; T151-F170 HydrophobicContact CG2-CE2 3.76Å; T151-F170 HydrophobicContact CG2-CZ 3.63Å; L153-F170 HydrophobicContact CB-CD1 3.74Å; L153-F170 HydrophobicContact CB-CD2 4.25Å; L153-F170 HydrophobicContact CB-CE1 3.55Å; L153-F170 HydrophobicContact CB-CE2 4.1Å; L153-F170 HydrophobicContact CB-CG 4.09Å; L153-F170 HydrophobicContact CB-CZ 3.75Å; L153-F170 HydrophobicContact CD1-CD2 4.19Å; L153-F170 HydrophobicContact CD1-CE2 4.37Å; L153-F170 HydrophobicContact CD1-CG 4.49Å; L153-F170 HydrophobicContact CD2-CB 4.01Å; L153-F170 HydrophobicContact CD2-CD1 4.13Å; L153-F170 HydrophobicContact CD2-CD2 4.47Å; L153-F170 HydrophobicContact CD2-CG 3.96Å; L153-F170 HydrophobicContact CG-CD1 4.49Å; L153-F170 HydrophobicContact CG-CG 4.42Å; M161-F170 HydrophobicContact CB-CD1 3.8Å; M161-F170 HydrophobicContact CB-CE1 4.02Å; M161-F170 HydrophobicContact CE-CD1 4.25Å; M161-F170 HydrophobicContact SD-CB 4.26Å; M161-F170 HydrophobicContact SD-CD1 4.15Å; Q163-F170 HydrophobicContact CB-CE1 4.32Å; Q163-F170 HydrophobicContact CG-CD1 3.81Å; Q163-F170 HydrophobicContact CG-CE1 3.44Å; Q163-F170 VanDerWaalsContact CG-CE1 3.44Å; Q163-F170 HydrophobicContact CG-CZ 3.97Å |
| 171 | H | 95.4 | Very high | 94.6 | Very high | 101 Ų | 101 | 63.9 Ų | 63.9 | 47% | 0.468 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 119.1 | -177.5 | 179.5 | 72.8 | 0 | 0 | 0 | 109.1 | D137 | D137-H171 IonicContact OD1-CE1 3.92Å; D137-H171 IonicContact OD1-CG 3.81Å; D137-H171 IonicContact OD1-ND1 3.57Å; D137-H171 PolarHBondContact OD1-ND1 3.47Å |
| 172 | L | 95.2 | Very high | 94.6 | Very high | 26 Ų | 26 | 67.8 Ų | 67.8 | 14% | 0.136 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 105.7 | 173 | -70.4 | 75.8 | 0 | 0 | 0 | 107.1 | A135 L136 L153 M161 H174 V175 | A135-L172 CarbonylContact C-O 3.52Å; A135-L172 VanDerWaalsContact CA-O 3.23Å; A135-L172 WeakPolarHBondContact CA-O 3.26Å; L136-L172 HydrophobicContact CB-CB 4.26Å; L136-L172 PolarHBondContact N-O 3.16Å; L136-L172 PolarHBondContact O-N 3.06Å; L153-L172 HydrophobicContact CD2-CD1 4.44Å; M161-L172 HydrophobicContact SD-CD1 3.63Å; M161-L172 HydrophobicContact SD-CG 4.17Å; L172-H174 PolarHBondContact O-N 3.04Å; L172-V175 HydrophobicContact CB-CG1 3.95Å |
| 173 | P | 94.1 | Very high | 94.6 | Very high | 67 Ų | 67 | 65 Ų | 65 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -73.4 | -28.4 | -166.3 | 26.1 | -34.7 | 0 | 0 | 0 | 114.5 | D134 A135 | D134-P173 CarbonylContact C-O 3.59Å; A135-P173 WeakPolarHBondContact CA-O 3.41Å; A135-P173 PolarHBondContact N-O 2.93Å |
| 174 | H | 94.4 | Very high | 94.7 | Very high | 147 Ų | 147 | 63 Ų | 63 | 68% | 0.681 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -139.2 | 95.6 | -177.2 | -57 | 101.5 | 0 | 0 | 0 | 109.3 | L172 | L172-H174 PolarHBondContact O-N 3.04Š|
| 175 | V | 95.3 | Very high | 95 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | trans | -87 | 149 | -179.1 | -57.5 | 0 | 0 | 0 | 0 | 112.9 | V130 G133 D134 L136 L172 D179 I207 | V130-V175 HydrophobicContact CG1-CG2 3.54Å; G133-V175 PolarHBondContact N-O 3.37Å; D134-V175 WeakPolarHBondContact O-CG2 3.42Å; D134-V175 PolarHBondContact O-N 3.23Å; L136-V175 HydrophobicContact CB-CG1 3.49Å; L136-V175 VanDerWaalsContact CB-CG1 3.49Å; L136-V175 HydrophobicContact CD2-CG1 4.34Å; L172-V175 HydrophobicContact CB-CG1 3.95Å; V175-D179 HydrophobicContact CB-CB 4.34Å; V175-I207 HydrophobicContact CB-CD1 3.87Å; V175-I207 HydrophobicContact CG2-CD1 3.88Å; V175-I207 HydrophobicContact CG2-CG1 4.32Å; V175-I207 HydrophobicContact CG2-CG2 4.09Å | ||
| 176 | T | 95.3 | Very high | 95.4 | Very high | 62 Ų | 62 | 61.1 Ų | 61.1 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | trans | -118.9 | 172.2 | 177.7 | 67.8 | 0 | 0 | 0 | 0 | 110.8 | E178 D179 I207 | T176-E178 PolarHBondContact O-N 3.09Å; T176-E178 PolarHBondContact OG1-N 3.07Å; T176-D179 PolarHBondContact N-OD2 2.97Å; T176-D179 WeakPolarHBondContact O-CB 3.32Å; T176-D179 PolarHBondContact O-N 3.24Å; T176-D179 PolarHBondContact OG1-OD2 2.95Å; T176-I207 WeakPolarHBondContact O-CD1 3.15Å | ||
| 177 | L | 93.4 | Very high | 95.7 | Very high | 86 Ų | 86 | 56.5 Ų | 56.5 | 45% | 0.45 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -62.2 | -23 | 174.4 | -64.5 | 176.1 | 0 | 0 | 0 | 112.8 | V132 D179 E180 I207 E209 | V132-L177 HydrophobicContact CG2-CD2 3.75Å; V132-L177 HydrophobicContact CG2-CG 3.9Å; L177-D179 PolarHBondContact O-N 3.2Å; L177-E180 WeakPolarHBondContact O-CB 3.37Å; L177-E180 PolarHBondContact O-N 2.82Å; L177-I207 HydrophobicContact CD2-CG2 4.31Å; L177-I207 WeakPolarHBondContact CD2-O 3.27Å; L177-E209 HydrophobicContact CD1-CG 4.15Å; L177-E209 HydrophobicContact CD2-CG 4.32Å |
| 178 | E | 93.6 | Very high | 95.8 | Very high | 164 Ų | 164 | 55 Ų | 55 | 77% | 0.766 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -74.2 | -13.5 | 176 | -59.8 | -179 | -177.4 | 0 | 0 | 112.7 | R155 T176 E180 | R155-E178 PolarHBondContact NH2-O 2.96Å; T176-E178 PolarHBondContact O-N 3.09Å; T176-E178 PolarHBondContact OG1-N 3.07Å; E178-E180 VanDerWaalsContact C-N 3.31Å |
| 179 | D | 94.9 | Very high | 95.8 | Very high | 28 Ų | 28 | 54.7 Ų | 54.7 | 15% | 0.15 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -87.9 | -0.9 | 175.4 | -57.7 | -56.4 | 0 | 0 | 0 | 113 | R155 V175 T176 L177 Y183 I207 | R155-D179 IonicContact CZ-OD1 3.74Å; R155-D179 IonicContact NH1-OD1 3.65Å; R155-D179 PolarHBondContact NH1-OD1 2.78Å; V175-D179 HydrophobicContact CB-CB 4.34Å; T176-D179 PolarHBondContact N-OD2 2.97Å; T176-D179 WeakPolarHBondContact O-CB 3.32Å; T176-D179 PolarHBondContact O-N 3.24Å; T176-D179 PolarHBondContact OG1-OD2 2.95Å; L177-D179 PolarHBondContact O-N 3.2Å; D179-Y183 VanDerWaalsContact O-CE2 3.24Å; D179-Y183 WeakPolarHBondContact O-CE2 3.26Å; D179-Y183 PolarHBondContact O-OH 3.37Å; D179-I207 VanDerWaalsContact C-CD1 3.49Å; D179-I207 HydrophobicContact CB-CD1 3.64Å |
| 180 | E | 94.9 | Very high | 95.6 | Very high | 90 Ų | 90 | 53.9 Ų | 53.9 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | trans | -65.3 | 139.4 | 171.4 | -172.2 | 174.3 | 145.8 | 0 | 0 | 110 | L177 E178 V205 | L177-E180 WeakPolarHBondContact O-CB 3.37Å; L177-E180 PolarHBondContact O-N 2.82Å; E178-E180 VanDerWaalsContact C-N 3.31Å; E180-V205 WeakPolarHBondContact CG-O 3.35Å | ||
| 181 | G | 95.2 | Very high | 95.2 | Very high | 8 Ų | 8 | 58.3 Ų | 58.3 | 8% | 0.082 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.4 | -173.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V205 | G181-V205 PolarHBondContact N-O 2.77Å; G181-V205 PolarHBondContact O-N 2.95Å |
| 182 | R | 96.9 | Very high | 94.9 | Very high | 134 Ų | 134 | 58.8 Ų | 58.8 | 51% | 0.506 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 110.2 | 177.1 | -70.8 | -178.9 | 166.7 | -87.3 | -0.3 | 110.6 | D156 P202 T203 L204 | D156-R182 PolarHBondContact N-O 2.94Å; D156-R182 WeakPolarHBondContact OD1-CB 3.5Å; D156-R182 PolarHBondContact OD1-N 2.87Å; R182-P202 HydrophobicContact CB-CB 3.96Å; R182-T203 CarbonylContact C-O 3.47Å; R182-T203 WeakPolarHBondContact CA-O 3.03Å; R182-L204 HydrophobicContact CG-CD1 4.1Å |
| 183 | Y | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 135 | -179.6 | -72.6 | -103.9 | 0 | 0 | 0 | 111.8 | L123 L138 L153 Y154 R155 V160 D179 P202 T203 V205 | L123-Y183 VanDerWaalsContact CD2-CB 3.48Å; L123-Y183 WeakPolarHBondContact CD2-O 3.28Å; L138-Y183 HydrophobicContact CD1-CD1 3.83Å; L138-Y183 HydrophobicContact CD1-CE1 4.24Å; L138-Y183 HydrophobicContact CD1-CG 4.34Å; L153-Y183 HydrophobicContact CD1-CD1 4.06Å; L153-Y183 HydrophobicContact CD2-CD1 3.94Å; L153-Y183 HydrophobicContact CD2-CE1 4.13Å; L153-Y183 HydrophobicContact CG-CD1 4.01Å; Y154-Y183 CarbonylContact O-C 3.05Å; Y154-Y183 WeakPolarHBondContact O-CA 3.08Å; R155-Y183 HydrophobicContact CB-CD1 4.28Å; R155-Y183 HydrophobicContact CB-CE1 4.01Å; R155-Y183 VanDerWaalsContact CD-OH 3.26Å; R155-Y183 WeakPolarHBondContact CD-OH 3.39Å; R155-Y183 HydrophobicContact CG-CD2 4.41Å; R155-Y183 HydrophobicContact CG-CE1 4.23Å; R155-Y183 HydrophobicContact CG-CE2 3.95Å; V160-Y183 HydrophobicContact CG2-CE1 4.5Å; D179-Y183 VanDerWaalsContact O-CE2 3.24Å; D179-Y183 WeakPolarHBondContact O-CE2 3.26Å; D179-Y183 PolarHBondContact O-OH 3.37Å; Y183-P202 CarbonylContact O-C 3.48Å; Y183-P202 WeakPolarHBondContact O-CA 3.03Å; Y183-T203 PolarHBondContact N-O 3.45Å; Y183-T203 PolarHBondContact O-N 2.91Å; Y183-V205 HydrophobicContact CD2-CB 3.8Å; Y183-V205 HydrophobicContact CD2-CG2 3.37Å; Y183-V205 HydrophobicContact CE2-CB 3.95Å; Y183-V205 HydrophobicContact CE2-CG2 3.99Å; Y183-V205 HydrophobicContact CG-CG2 4.03Å |
| 184 | S | 97.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 75.4 Ų | 75.4 | 5% | 0.049 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 156.5 | 170.8 | 55.9 | 0 | 0 | 0 | 0 | 109.6 | Y154 | Y154-S184 PolarHBondContact N-O 2.69Å; Y154-S184 PolarHBondContact O-N 2.89Å |
| 185 | C | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 143.4 | 177.2 | 60.7 | 0 | 0 | 0 | 0 | 110.7 | L123 C140 I152 M199 S200 | L123-C185 HydrophobicContact CD1-CB 4.12Å; C140-C185 HydrophobicContact CB-CB 3.66Å; C140-C185 WeakPolarHBondContact CB-SG 3.23Å; C140-C185 WeakPolarHBondContact SG-CB 3.5Å; C140-C185 CovalentContact SG-SG 2.03Å; C140-C185 PolarHBondContact SG-SG 2.89Å; I152-C185 CarbonylContact O-C 3.54Å; I152-C185 WeakPolarHBondContact O-CA 3.17Å; C185-M199 CarbonylContact O-C 3.57Å; C185-M199 VanDerWaalsContact O-CA 3.31Å; C185-M199 WeakPolarHBondContact O-CA 2.97Å; C185-S200 PolarHBondContact N-OG 3.14Å; C185-S200 PolarHBondContact O-N 3.38Å; C185-S200 PolarHBondContact O-OG 2.78Å; C185-S200 PolarHBondContact SG-OG 2.88Å; C185-S200 VanDerWaalsContact SG-OG 3.32Å |
| 186 | R | 97.9 | Very high | 94.4 | Very high | 95 Ų | 95 | 76.6 Ų | 76.6 | 36% | 0.358 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.6 | 169.3 | -179.8 | -177.4 | -69 | 169 | 0.5 | 108.8 | T151 I152 Y154 S197 V198 M199 | T151-R186 CarbonylContact C-O 3.52Å; T151-R186 VanDerWaalsContact CA-O 3.31Å; T151-R186 WeakPolarHBondContact CA-O 3.43Å; I152-R186 HydrophobicContact CB-CB 4.39Å; I152-R186 PolarHBondContact N-O 2.84Å; I152-R186 PolarHBondContact O-N 2.82Å; Y154-R186 HydrophobicContact CE2-CB 3.79Å; Y154-R186 PolarHBondContact OH-NH1 2.85Å; R186-S197 VanDerWaalsContact CD-OG 3.31Å; R186-S197 WeakPolarHBondContact CD-OG 3.32Å; R186-S197 WeakPolarHBondContact CG-OG 3.47Å; R186-V198 CarbonylContact C-O 3.5Å; R186-V198 VanDerWaalsContact CA-O 3.29Å; R186-V198 WeakPolarHBondContact CA-O 3.49Å; R186-M199 HydrophobicContact CB-CG 4.48Å |
| 187 | V | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 131 | 176 | -170.2 | 0 | 0 | 0 | 0 | 108.2 | A121 C140 L142 V148 T151 L168 S197 V198 | A121-V187 HydrophobicContact CB-CG2 4.42Å; C140-V187 HydrophobicContact CB-CG2 4.47Å; C140-V187 WeakPolarHBondContact SG-CG2 3.32Å; L142-V187 HydrophobicContact CB-CG1 4.4Å; L142-V187 HydrophobicContact CD1-CB 4.17Å; L142-V187 HydrophobicContact CD1-CG1 4.22Å; L142-V187 HydrophobicContact CD2-CG1 4.1Å; L142-V187 HydrophobicContact CG-CG1 4.49Å; V148-V187 HydrophobicContact CB-CG1 4.21Å; V148-V187 HydrophobicContact CG1-CG1 3.62Å; V148-V187 HydrophobicContact CG2-CG1 3.47Å; V148-V187 VanDerWaalsContact CG2-CG1 3.47Å; T151-V187 HydrophobicContact CG2-CG2 4.16Å; L168-V187 HydrophobicContact CD2-CG1 4.05Å; L168-V187 HydrophobicContact CD2-CG2 4.12Å; V187-S197 VanDerWaalsContact O-CA 3.27Å; V187-S197 WeakPolarHBondContact O-CA 3.43Å; V187-S197 PolarHBondContact O-OG 3.45Å; V187-V198 PolarHBondContact N-O 3.27Å; V187-V198 PolarHBondContact O-N 2.99Å |
| 188 | S | 96.6 | Very high | 94.6 | Very high | 8 Ų | 8 | 73.9 Ų | 73.9 | 6% | 0.056 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 136.7 | 178.5 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | H149 Q150 H196 S197 | H149-S188 PolarHBondContact N-O 3.03Å; Q150-S188 PolarHBondContact N-O 2.92Å; Q150-S188 PolarHBondContact O-N 2.68Å; S188-H196 VanDerWaalsContact CA-O 3.27Å; S188-H196 WeakPolarHBondContact CA-O 3.43Å; S188-S197 PolarHBondContact OG-OG 2.83Å |
| 189 | W | 95.4 | Very high | 94.7 | Very high | 33 Ų | 33 | 71.1 Ų | 71.1 | 13% | 0.125 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 160.3 | 177.7 | 68.3 | 96.5 | 0 | 0 | 0 | 110 | L142 A146 P147 H196 V198 | L142-W189 HydrophobicContact CD1-CE3 4.31Å; L142-W189 HydrophobicContact CD1-CH2 4.08Å; L142-W189 HydrophobicContact CD1-CZ3 3.7Å; L142-W189 HydrophobicContact CD2-CD2 4.43Å; L142-W189 HydrophobicContact CD2-CE3 4.04Å; L142-W189 HydrophobicContact CD2-CZ3 4.21Å; A146-W189 HydrophobicContact CB-CB 4.27Å; A146-W189 HydrophobicContact CB-CD2 4.03Å; A146-W189 HydrophobicContact CB-CG 3.72Å; P147-W189 WeakPolarHBondContact O-CB 3.18Å; W189-H196 HydrophobicContact CD2-CB 3.88Å; W189-H196 HydrophobicContact CE3-CB 4.36Å; W189-H196 HydrophobicContact CG-CB 4.41Å; W189-H196 HydrophobicContact CH2-CB 4.08Å; W189-H196 HydrophobicContact CZ2-CB 3.53Å; W189-H196 HydrophobicContact CZ3-CB 4.43Å; W189-H196 PolarHBondContact N-O 2.85Å; W189-H196 PolarHBondContact O-N 2.88Å; W189-V198 HydrophobicContact CH2-CB 4.46Å; W189-V198 HydrophobicContact CH2-CG1 3.69Å; W189-V198 HydrophobicContact CH2-CG2 4.11Å; W189-V198 HydrophobicContact CZ3-CB 4.44Å; W189-V198 HydrophobicContact CZ3-CG1 4.12Å; W189-V198 HydrophobicContact CZ3-CG2 3.84Å |
| 190 | D | 91.8 | Very high | 94.9 | Very high | 71 Ų | 71 | 70 Ų | 70 | 38% | 0.38 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 134.5 | 175.6 | -59 | -53.1 | 0 | 0 | 0 | 110.7 | H149 R194 T195 | H149-D190 VanDerWaalsContact CE1-CG 3.49Å; H149-D190 IonicContact CE1-OD1 3.38Å; H149-D190 PolarHBondContact CE1-OD1 2.95Å; H149-D190 IonicContact CE1-OD2 3.2Å; H149-D190 PolarHBondContact CE1-OD2 2.84Å; H149-D190 IonicContact CG-OD2 3.66Å; H149-D190 IonicContact ND1-OD1 2.78Å; H149-D190 IonicContact ND1-OD2 2.69Å; H149-D190 PolarHBondContact ND1-OD2 2.78Å; D190-R194 WeakPolarHBondContact CA-O 3.5Å; D190-T195 VanDerWaalsContact OD1-CA 3.3Å; D190-T195 WeakPolarHBondContact OD1-CA 3.36Å; D190-T195 WeakPolarHBondContact OD1-CB 3.46Å; D190-T195 PolarHBondContact OD1-OG1 3.47Å |
| 191 | L | 89.4 | Confident | 94.9 | Very high | 95 Ų | 95 | 69.1 Ų | 69.1 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 129.3 | 173.8 | -172.3 | 67.3 | 0 | 0 | 0 | 108.7 | R193 R194 | L191-R193 VanDerWaalsContact C-N 3.28Å; L191-R193 PolarHBondContact O-N 3.41Å; L191-R194 PolarHBondContact N-O 2.84Å; L191-R194 PolarHBondContact O-N 2.98Å; L191-R194 VanDerWaalsContact O-O 3.12Å |
| 192 | S | 87.9 | Confident | 94.9 | Very high | 112 Ų | 112 | 71.2 Ų | 71.2 | 78% | 0.783 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 43.2 | 176.9 | -57.1 | 0 | 0 | 0 | 0 | 114.1 | R194 | S192-R194 PolarHBondContact O-N 2.82Š|
| 193 | R | 87.6 | Confident | 94.7 | Very high | 258 Ų | 258 | 66 Ų | 66 | 97% | 0.974 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 19.4 | -175.6 | -52.1 | -173.2 | -178 | -162.2 | 1 | 115.1 | L191 | L191-R193 VanDerWaalsContact C-N 3.28Å; L191-R193 PolarHBondContact O-N 3.41Å |
| 194 | R | 92.4 | Very high | 94.5 | Very high | 184 Ų | 184 | 70.1 Ų | 70.1 | 69% | 0.694 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 138.3 | 170.8 | -64.7 | -173.7 | -178.4 | -140.9 | 0.9 | 109.9 | D190 L191 S192 | D190-R194 WeakPolarHBondContact CA-O 3.5Å; L191-R194 PolarHBondContact N-O 2.84Å; L191-R194 PolarHBondContact O-N 2.98Å; L191-R194 VanDerWaalsContact O-O 3.12Å; S192-R194 PolarHBondContact O-N 2.82Å |
| 195 | T | 93.6 | Very high | 94.3 | Very high | 96 Ų | 96 | 69.9 Ų | 69.9 | 59% | 0.589 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 124.7 | 171.1 | -54.9 | 0 | 0 | 0 | 0 | 109.4 | D190 | D190-T195 VanDerWaalsContact OD1-CA 3.3Å; D190-T195 WeakPolarHBondContact OD1-CA 3.36Å; D190-T195 WeakPolarHBondContact OD1-CB 3.46Å; D190-T195 PolarHBondContact OD1-OG1 3.47Å |
| 196 | H | 94.9 | Very high | 94 | Very high | 78 Ų | 78 | 73.3 Ų | 73.3 | 36% | 0.361 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 145.9 | 171.6 | -70.3 | -91.6 | 0 | 0 | 0 | 109.1 | S188 W189 | S188-H196 VanDerWaalsContact CA-O 3.27Å; S188-H196 WeakPolarHBondContact CA-O 3.43Å; W189-H196 HydrophobicContact CD2-CB 3.88Å; W189-H196 HydrophobicContact CE3-CB 4.36Å; W189-H196 HydrophobicContact CG-CB 4.41Å; W189-H196 HydrophobicContact CH2-CB 4.08Å; W189-H196 HydrophobicContact CZ2-CB 3.53Å; W189-H196 HydrophobicContact CZ3-CB 4.43Å; W189-H196 PolarHBondContact N-O 2.85Å; W189-H196 PolarHBondContact O-N 2.88Å |
| 197 | S | 95.9 | Very high | 93.8 | Very high | 57 Ų | 57 | 69 Ų | 69 | 40% | 0.399 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 139.4 | 177.6 | -164.3 | 0 | 0 | 0 | 0 | 110.5 | R186 V187 S188 | R186-S197 VanDerWaalsContact CD-OG 3.31Å; R186-S197 WeakPolarHBondContact CD-OG 3.32Å; R186-S197 WeakPolarHBondContact CG-OG 3.47Å; V187-S197 VanDerWaalsContact O-CA 3.27Å; V187-S197 WeakPolarHBondContact O-CA 3.43Å; V187-S197 PolarHBondContact O-OG 3.45Å; S188-S197 PolarHBondContact OG-OG 2.83Å |
| 198 | V | 96.9 | Very high | 93.6 | Very high | 34 Ų | 34 | 71.4 Ų | 71.4 | 21% | 0.206 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 152.1 | 175 | -60.4 | 0 | 0 | 0 | 0 | 109.8 | F120 A121 L142 R186 V187 W189 | F120-V198 HydrophobicContact CB-CB 4.24Å; F120-V198 HydrophobicContact CB-CG1 4Å; F120-V198 HydrophobicContact CB-CG2 4.03Å; A121-V198 HydrophobicContact CB-CG2 3.72Å; L142-V198 HydrophobicContact CD1-CG2 3.57Å; R186-V198 CarbonylContact C-O 3.5Å; R186-V198 VanDerWaalsContact CA-O 3.29Å; R186-V198 WeakPolarHBondContact CA-O 3.49Å; V187-V198 PolarHBondContact N-O 3.27Å; V187-V198 PolarHBondContact O-N 2.99Å; W189-V198 HydrophobicContact CH2-CB 4.46Å; W189-V198 HydrophobicContact CH2-CG1 3.69Å; W189-V198 HydrophobicContact CH2-CG2 4.11Å; W189-V198 HydrophobicContact CZ3-CB 4.44Å; W189-V198 HydrophobicContact CZ3-CG1 4.12Å; W189-V198 HydrophobicContact CZ3-CG2 3.84Å |
| 199 | M | 96.9 | Very high | 93.4 | Very high | 106 Ų | 106 | 73.4 Ų | 73.4 | 52% | 0.522 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 140.3 | -179.6 | -161.6 | 169.2 | 75 | 0 | 0 | 109.8 | C185 R186 | C185-M199 CarbonylContact O-C 3.57Å; C185-M199 VanDerWaalsContact O-CA 3.31Å; C185-M199 WeakPolarHBondContact O-CA 2.97Å; R186-M199 HydrophobicContact CB-CG 4.48Å |
| 200 | S | 97.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 73.4 Ų | 73.4 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 155.8 | 173 | 66.8 | 0 | 0 | 0 | 0 | 111.7 | A121 C185 | A121-S200 WeakPolarHBondContact O-CA 3.4Å; A121-S200 VanDerWaalsContact O-CB 3.25Å; A121-S200 WeakPolarHBondContact O-CB 3.31Å; C185-S200 PolarHBondContact N-OG 3.14Å; C185-S200 PolarHBondContact O-N 3.38Å; C185-S200 PolarHBondContact O-OG 2.78Å; C185-S200 PolarHBondContact SG-OG 2.88Å; C185-S200 VanDerWaalsContact SG-OG 3.32Å |
| 201 | V | 94.8 | Very high | 93.4 | Very high | 72 Ų | 72 | 70.1 Ų | 70.1 | 44% | 0.436 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 137.1 | 169.8 | 176.4 | 0 | 0 | 0 | 0 | 109.3 | R39 T203 | R39-V201 PolarHBondContact NH1-O 2.78Å; V201-T203 PolarHBondContact O-N 2.93Å |
| 202 | P | 95.3 | Very high | 93.5 | Very high | 53 Ų | 53 | 66.6 Ų | 66.6 | 34% | 0.344 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 127.1 | -180 | -22.2 | 31.7 | 0 | 0 | 0 | 113.6 | R182 Y183 | R182-P202 HydrophobicContact CB-CB 3.96Å; Y183-P202 CarbonylContact O-C 3.48Å; Y183-P202 WeakPolarHBondContact O-CA 3.03Å |
| 203 | T | 93.5 | Very high | 93.9 | Very high | 25 Ų | 25 | 66.4 Ų | 66.4 | 15% | 0.153 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.7 | 172.9 | -51.6 | 0 | 0 | 0 | 0 | 109.6 | R39 L125 R182 Y183 V201 | R39-T203 PolarHBondContact NH1-OG1 2.89Å; L125-T203 HydrophobicContact CD1-CG2 3.73Å; R182-T203 CarbonylContact C-O 3.47Å; R182-T203 WeakPolarHBondContact CA-O 3.03Å; Y183-T203 PolarHBondContact N-O 3.45Å; Y183-T203 PolarHBondContact O-N 2.91Å; V201-T203 PolarHBondContact O-N 2.93Å |
| 204 | L | 93.1 | Very high | 94.3 | Very high | 85 Ų | 85 | 54.2 Ų | 54.2 | 45% | 0.445 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 128.2 | 172.8 | -178.8 | 66.3 | 0 | 0 | 0 | 110.1 | R182 N206 | R182-L204 HydrophobicContact CG-CD1 4.1Å; L204-N206 WeakPolarHBondContact CD2-OD1 3.21Å; L204-N206 VanDerWaalsContact CG-OD1 3.24Å; L204-N206 WeakPolarHBondContact CG-OD1 3.01Å |
| 205 | V | 93.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 114 | 174.6 | -175.4 | 0 | 0 | 0 | 0 | 107.7 | L125 L136 E180 G181 Y183 | L125-V205 HydrophobicContact CD2-CG1 4.39Å; L125-V205 HydrophobicContact CD2-CG2 3.96Å; L136-V205 HydrophobicContact CD1-CG1 3.99Å; L136-V205 HydrophobicContact CD2-CG1 4.04Å; E180-V205 WeakPolarHBondContact CG-O 3.35Å; G181-V205 PolarHBondContact N-O 2.77Å; G181-V205 PolarHBondContact O-N 2.95Å; Y183-V205 HydrophobicContact CD2-CB 3.8Å; Y183-V205 HydrophobicContact CD2-CG2 3.37Å; Y183-V205 HydrophobicContact CE2-CB 3.95Å; Y183-V205 HydrophobicContact CE2-CG2 3.99Å; Y183-V205 HydrophobicContact CG-CG2 4.03Å |
| 206 | N | 91.2 | Very high | 94.6 | Very high | 73 Ų | 73 | 45.7 Ų | 45.7 | 39% | 0.39 | 25% | 0.251 | S | S | . | . | trans | -97.4 | 130.1 | 178.5 | -67.5 | -8.8 | 0 | 0 | 0 | 109.7 | L204 | L204-N206 WeakPolarHBondContact CD2-OD1 3.21Å; L204-N206 VanDerWaalsContact CG-OD1 3.24Å; L204-N206 WeakPolarHBondContact CG-OD1 3.01Å | ||
| 207 | I | 93.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.9 | 177.7 | -60 | 174.2 | 0 | 0 | 0 | 108.2 | V130 V132 V175 T176 L177 D179 | V130-I207 WeakPolarHBondContact O-CA 3.48Å; V132-I207 HydrophobicContact CG2-CG2 3.88Å; V175-I207 HydrophobicContact CB-CD1 3.87Å; V175-I207 HydrophobicContact CG2-CD1 3.88Å; V175-I207 HydrophobicContact CG2-CG1 4.32Å; V175-I207 HydrophobicContact CG2-CG2 4.09Å; T176-I207 WeakPolarHBondContact O-CD1 3.15Å; L177-I207 HydrophobicContact CD2-CG2 4.31Å; L177-I207 WeakPolarHBondContact CD2-O 3.27Å; D179-I207 VanDerWaalsContact C-CD1 3.49Å; D179-I207 HydrophobicContact CB-CD1 3.64Å |
| 208 | L | 92.9 | Very high | 94.6 | Very high | 52 Ų | 52 | 43.9 Ų | 43.9 | 27% | 0.272 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 145.2 | -174.3 | -56.6 | 175.3 | 0 | 0 | 0 | 110.7 | V130 L131 V132 N239 | V130-L208 PolarHBondContact O-N 3.42Å; L131-L208 CarbonylContact C-O 3.55Å; L131-L208 VanDerWaalsContact CA-O 3.23Å; L131-L208 WeakPolarHBondContact CA-O 3.12Å; L131-L208 HydrophobicContact CD2-CB 3.93Å; V132-L208 PolarHBondContact N-O 3.18Å; L208-N239 HydrophobicContact CB-CB 4.47Å; L208-N239 HydrophobicContact CD1-CB 4.49Å |
| 209 | E | 92.6 | Very high | 94.5 | Very high | 50 Ų | 50 | 44.1 Ų | 44.1 | 23% | 0.234 | 24% | 0.237 | C | C | . | . | trans | -71.3 | 145.8 | 164.3 | -64.9 | -170.5 | 106.2 | 0 | 0 | 110.1 | V132 L177 L211 N239 R289 | V132-E209 HydrophobicContact CG2-CG 4.37Å; L177-E209 HydrophobicContact CD1-CG 4.15Å; L177-E209 HydrophobicContact CD2-CG 4.32Å; E209-L211 VanDerWaalsContact C-N 3.3Å; E209-L211 PolarHBondContact O-N 2.83Å; E209-N239 PolarHBondContact O-ND2 3.06Å; E209-R289 IonicContact OE1-CZ 3.24Å; E209-R289 IonicContact OE1-NE 3.66Å; E209-R289 IonicContact OE1-NH2 2.62Å; E209-R289 PolarHBondContact OE1-NH2 2.99Å | ||
| 210 | V | 92.8 | Very high | 94.2 | Very high | 32 Ų | 32 | 43.9 Ų | 43.9 | 19% | 0.194 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -58.4 | -46.4 | 172.5 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | L131 Y238 N239 A240 L285 I287 | L131-V210 HydrophobicContact CB-CG2 4.33Å; L131-V210 HydrophobicContact CD1-CG2 4.15Å; V210-Y238 HydrophobicContact CG1-CE2 4.13Å; V210-Y238 VanDerWaalsContact O-CD2 3.26Å; V210-Y238 WeakPolarHBondContact O-CD2 3.47Å; V210-N239 PolarHBondContact O-N 3.06Å; V210-A240 HydrophobicContact CG1-CB 4.26Å; V210-L285 HydrophobicContact CG1-CD1 4.07Å; V210-I287 HydrophobicContact CB-CD1 4.1Å; V210-I287 HydrophobicContact CG1-CD1 4.02Å |
| 211 | L | 93.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -128.3 | 109.4 | 174.8 | -171.4 | 73.4 | 0 | 0 | 0 | 108.2 | E209 V236 Y238 A280 V282 I287 R289 | E209-L211 VanDerWaalsContact C-N 3.3Å; E209-L211 PolarHBondContact O-N 2.83Å; L211-V236 HydrophobicContact CD1-CG1 4.46Å; L211-V236 HydrophobicContact CD1-CG2 3.59Å; L211-V236 HydrophobicContact CG-CG2 4Å; L211-Y238 HydrophobicContact CB-CD2 4.47Å; L211-Y238 HydrophobicContact CD1-CD2 3.74Å; L211-Y238 HydrophobicContact CD1-CG 4.2Å; L211-A280 HydrophobicContact CD2-CB 4.05Å; L211-V282 HydrophobicContact CD1-CG2 4.33Å; L211-V282 HydrophobicContact CD2-CG2 4.19Å; L211-I287 HydrophobicContact CB-CG2 3.9Å; L211-I287 HydrophobicContact CD2-CG2 3.94Å; L211-R289 HydrophobicContact CB-CG 4.45Å; L211-R289 HydrophobicContact CD2-CB 4.09Å; L211-R289 HydrophobicContact CD2-CG 3.96Å; L211-R289 HydrophobicContact CG-CG 4.21Å |
| 212 | A | 93.4 | Very high | 92.9 | Very high | 20 Ų | 20 | 48 Ų | 48 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -68 | 163.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P214 V236 Q237 | A212-P214 WeakPolarHBondContact O-CD 3.3Å; A212-V236 WeakPolarHBondContact O-CG2 3.29Å; A212-Q237 HydrophobicContact CB-CB 3.9Å; A212-Q237 PolarHBondContact N-O 3.18Å |
| 213 | K | 94.3 | Very high | 91.8 | Very high | 109 Ų | 109 | 50.4 Ų | 50.4 | 47% | 0.474 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 121.2 | 170.7 | -172.5 | 178.4 | -176.9 | 176.8 | 0 | 110.4 | E292 | K213-E292 WeakPolarHBondContact CE-OE1 3.13Å; K213-E292 IonicContact NZ-OE1 3.62Å; K213-E292 PolarHBondContact NZ-OE1 2.8Å |
| 214 | P | 96.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.013 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 152.2 | -178.6 | 27.7 | -33 | 0 | 0 | 0 | 111.9 | A212 H235 V236 R289 S291 | A212-P214 WeakPolarHBondContact O-CD 3.3Å; P214-H235 CarbonylContact C-O 3.58Å; P214-H235 WeakPolarHBondContact CA-O 3.34Å; P214-V236 HydrophobicContact CB-CB 4.04Å; P214-V236 HydrophobicContact CB-CG2 4.11Å; P214-R289 HydrophobicContact CG-CB 4.31Å; P214-S291 WeakPolarHBondContact O-CA 3.25Å; P214-S291 WeakPolarHBondContact O-CB 3.43Å |
| 215 | V | 96.5 | Very high | 90.3 | Very high | 95 Ų | 95 | 55.6 Ų | 55.6 | 58% | 0.576 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.2 | 177 | -180 | 0 | 0 | 0 | 0 | 108.8 | H235 | V215-H235 PolarHBondContact N-O 2.86Å; V215-H235 PolarHBondContact O-N 2.83Å |
| 216 | L | 96.7 | Very high | 89.7 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 122.7 | 177.6 | -177.4 | 75.2 | 0 | 0 | 0 | 111.1 | I218 L232 F251 Y276 C278 R294 | L216-I218 HydrophobicContact CD2-CD1 4.47Å; L216-I218 HydrophobicContact CD2-CG1 4.23Å; L216-I218 HydrophobicContact CG-CG1 4.45Å; L216-L232 HydrophobicContact CD1-CB 4.25Å; L216-F251 HydrophobicContact CD1-CD1 4.23Å; L216-F251 HydrophobicContact CD1-CE1 4.17Å; L216-Y276 VanDerWaalsContact CD2-O 3.27Å; L216-Y276 WeakPolarHBondContact CD2-O 3.36Å; L216-C278 HydrophobicContact CD1-CB 4.07Å; L216-R294 HydrophobicContact CD2-CB 4.25Å; L216-R294 VanDerWaalsContact O-CD 3.25Å; L216-R294 WeakPolarHBondContact O-CD 3.38Å; L216-R294 PolarHBondContact O-NH1 3.47Å |
| 217 | E | 96.4 | Very high | 89.1 | Confident | 74 Ų | 74 | 65.5 Ų | 65.5 | 35% | 0.346 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 138.5 | 165.5 | -175.6 | -179.3 | 173.8 | 0 | 0 | 111.3 | L232 I233 H235 | E217-L232 WeakPolarHBondContact O-CA 2.99Å; E217-I233 HydrophobicContact CB-CB 4.23Å; E217-I233 PolarHBondContact N-O 2.04Å; E217-I233 PolarHBondContact O-N 2.79Å; E217-H235 IonicContact OE2-CD2 2.62Å; E217-H235 IonicContact OE2-CE1 3.06Å; E217-H235 IonicContact OE2-NE2 3.88Å; E217-H235 PolarHBondContact OE2-NE2 2.87Å |
| 218 | I | 95.2 | Very high | 88.8 | Confident | 23 Ų | 23 | 71.3 Ų | 71.3 | 12% | 0.118 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 102.8 | 173.2 | -53.8 | -180 | 0 | 0 | 0 | 107.1 | L216 M230 L232 Y276 R294 F296 | L216-I218 HydrophobicContact CD2-CD1 4.47Å; L216-I218 HydrophobicContact CD2-CG1 4.23Å; L216-I218 HydrophobicContact CG-CG1 4.45Å; I218-M230 HydrophobicContact CG2-SD 3.7Å; I218-L232 HydrophobicContact CB-CD2 4.33Å; I218-L232 HydrophobicContact CD1-CD2 4.46Å; I218-L232 HydrophobicContact CG1-CD2 3.84Å; I218-L232 HydrophobicContact CG2-CD2 4.08Å; I218-Y276 HydrophobicContact CD1-CD2 4.1Å; I218-Y276 HydrophobicContact CD1-CG 4.3Å; I218-R294 HydrophobicContact CD1-CB 4.23Å; I218-R294 HydrophobicContact CD1-CG 4.27Å; I218-F296 HydrophobicContact CD1-CB 3.88Å; I218-F296 HydrophobicContact CG2-CD2 3.9Å; I218-F296 HydrophobicContact CG2-CG 4.4Å |
| 219 | D | 94.5 | Very high | 88.7 | Confident | 38 Ų | 38 | 73.6 Ų | 73.6 | 20% | 0.203 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 100.2 | 176.5 | 172.3 | 15.7 | 0 | 0 | 0 | 109.2 | D221 N222 M230 N231 I233 | D219-D221 PolarHBondContact OD1-N 2.83Å; D219-N222 PolarHBondContact OD1-N 2.74Å; D219-N222 VanDerWaalsContact OD2-CB 3.29Å; D219-N222 WeakPolarHBondContact OD2-CB 3.42Å; D219-N222 PolarHBondContact OD2-ND2 2.88Å; D219-M230 WeakPolarHBondContact O-CA 2.97Å; D219-N231 HydrophobicContact CB-CB 4.2Å; D219-N231 PolarHBondContact N-O 3.09Å; D219-N231 PolarHBondContact O-N 3.37Å; D219-I233 HydrophobicContact CB-CD1 4.41Å |
| 220 | K | 89.3 | Confident | 88.7 | Confident | 102 Ų | 102 | 71.2 Ų | 71.2 | 44% | 0.443 | 37% | 0.373 | S | S | . | . | trans | -92.8 | -15.4 | -175.3 | 68.2 | 178.1 | -174.4 | 177.5 | 0 | 113.8 | K271 F296 | K220-K271 WeakPolarHBondContact O-CE 3.49Å; K220-K271 PolarHBondContact O-NZ 2.82Å; K220-F296 HydrophobicContact CB-CE2 3.83Å; K220-F296 HydrophobicContact CD-CE2 4.11Å | ||
| 221 | D | 85.6 | Confident | 88.8 | Confident | 122 Ų | 122 | 70.3 Ų | 70.3 | 65% | 0.652 | 37% | 0.367 | S | S | * | . | trans | -113.2 | 14 | -169 | -62.5 | -42.7 | 0 | 0 | 0 | 112 | D219 A223 | D219-D221 PolarHBondContact OD1-N 2.83Å; D221-A223 PolarHBondContact O-N 2.98Å | ||
| 222 | N | 79.8 | Confident | 88.9 | Confident | 39 Ų | 39 | 70.2 Ų | 70.2 | 21% | 0.209 | 37% | 0.366 | C | S | . | . | trans | -58.9 | 108.4 | 178.4 | -162.6 | -50.5 | 0 | 0 | 0 | 111.8 | D219 Q224 L225 | D219-N222 PolarHBondContact OD1-N 2.74Å; D219-N222 VanDerWaalsContact OD2-CB 3.29Å; D219-N222 WeakPolarHBondContact OD2-CB 3.42Å; D219-N222 PolarHBondContact OD2-ND2 2.88Å; N222-Q224 PolarHBondContact O-N 3.37Å; N222-Q224 VanDerWaalsContact O-N 3.11Å; N222-Q224 WeakPolarHBondContact OD1-CB 3.48Å; N222-Q224 PolarHBondContact OD1-N 3.21Å; N222-Q224 VanDerWaalsContact OD1-N 3.08Å; N222-L225 HydrophobicContact CB-CB 4.26Å; N222-L225 HydrophobicContact CB-CD1 3.64Å; N222-L225 HydrophobicContact CB-CG 4.45Å; N222-L225 PolarHBondContact O-N 2.85Å | ||
| 223 | A | 73.2 | Confident | 89 | Confident | 104 Ų | 104 | 70.5 Ų | 70.5 | 86% | 0.86 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D221 L225 | D221-A223 PolarHBondContact O-N 2.98Å; A223-L225 VanDerWaalsContact C-N 3.32Å |
| 224 | Q | 78.1 | Confident | 89.2 | Confident | 187 Ų | 187 | 65.3 Ų | 65.3 | 87% | 0.874 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -11.5 | 177.8 | -56.6 | -179 | -0.5 | 0 | 0 | 112.4 | N222 | N222-Q224 PolarHBondContact O-N 3.37Å; N222-Q224 VanDerWaalsContact O-N 3.11Å; N222-Q224 WeakPolarHBondContact OD1-CB 3.48Å; N222-Q224 PolarHBondContact OD1-N 3.21Å; N222-Q224 VanDerWaalsContact OD1-N 3.08Å |
| 225 | L | 77.7 | Confident | 89.2 | Confident | 32 Ų | 32 | 69 Ų | 69 | 17% | 0.168 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -101.8 | 142.8 | -179.9 | -80.5 | 146.4 | 0 | 0 | 0 | 111 | N222 A223 K229 N231 H268 | N222-L225 HydrophobicContact CB-CB 4.26Å; N222-L225 HydrophobicContact CB-CD1 3.64Å; N222-L225 HydrophobicContact CB-CG 4.45Å; N222-L225 PolarHBondContact O-N 2.85Å; A223-L225 VanDerWaalsContact C-N 3.32Å; L225-K229 HydrophobicContact CB-CB 4.27Å; L225-K229 HydrophobicContact CD2-CB 3.93Å; L225-K229 HydrophobicContact CD2-CD 4.11Å; L225-N231 HydrophobicContact CD1-CB 3.78Å; L225-H268 HydrophobicContact CD2-CB 4.11Å; L225-H268 WeakPolarHBondContact CD2-CD2 3.44Å |
| 226 | G | 79.6 | Confident | 89.1 | Confident | 49 Ų | 49 | 65.9 Ų | 65.9 | 51% | 0.505 | 34% | 0.34 | S | S | . | . | trans | -57.6 | 150.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N228 K229 | G226-N228 PolarHBondContact O-N 2.89Å; G226-K229 PolarHBondContact O-N 2.93Å | ||
| 227 | R | 78.4 | Confident | 89 | Confident | 233 Ų | 233 | 70.9 Ų | 70.9 | 88% | 0.879 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.7 | -33.3 | -172.1 | -77.2 | -174.1 | -122.3 | -152.3 | -0.9 | 115.7 | K271 | R227-K271 WeakPolarHBondContact O-CE 3.21Å; R227-K271 PolarHBondContact O-NZ 3.18Å |
| 228 | N | 87.1 | Confident | 88.9 | Confident | 126 Ų | 126 | 70 Ų | 70 | 67% | 0.674 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 7 | -176.9 | -68.5 | -3.5 | 0 | 0 | 0 | 114.6 | G226 N270 K271 | G226-N228 PolarHBondContact O-N 2.89Å; N228-N270 CarbonylContact O-C 3.52Å; N228-N270 WeakPolarHBondContact O-CA 3.5Å; N228-K271 PolarHBondContact O-N 2.79Å |
| 229 | K | 91.6 | Very high | 88.7 | Confident | 99 Ų | 99 | 70.8 Ų | 70.8 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 151.1 | 179 | -66.4 | -172.5 | 177.2 | -176.3 | 0 | 111.4 | L225 G226 V269 K271 | L225-K229 HydrophobicContact CB-CB 4.27Å; L225-K229 HydrophobicContact CD2-CB 3.93Å; L225-K229 HydrophobicContact CD2-CD 4.11Å; G226-K229 PolarHBondContact O-N 2.93Å; K229-V269 CarbonylContact C-O 3.57Å; K229-V269 VanDerWaalsContact CA-O 3.26Å; K229-V269 WeakPolarHBondContact CA-O 3.08Å; K229-K271 WeakPolarHBondContact O-CE 3.4Å |
| 230 | M | 93.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 158.2 | 170.3 | 63.3 | -176.1 | -175.5 | 0 | 0 | 109.3 | I218 D219 L232 V269 K271 Y276 F296 | I218-M230 HydrophobicContact CG2-SD 3.7Å; D219-M230 WeakPolarHBondContact O-CA 2.97Å; M230-L232 HydrophobicContact CE-CD2 4.2Å; M230-V269 HydrophobicContact CE-CG2 3.47Å; M230-V269 VanDerWaalsContact CE-CG2 3.47Å; M230-V269 HydrophobicContact CG-CG2 3.53Å; M230-V269 PolarHBondContact N-O 2.81Å; M230-V269 PolarHBondContact O-N 2.86Å; M230-V269 HydrophobicContact SD-CG2 4.36Å; M230-K271 HydrophobicContact CB-CG 4.03Å; M230-K271 HydrophobicContact CG-CG 4.25Å; M230-K271 HydrophobicContact SD-CG 4.38Å; M230-Y276 HydrophobicContact CE-CD1 4.42Å; M230-Y276 HydrophobicContact CE-CD2 4.43Å; M230-Y276 HydrophobicContact CE-CE1 3.65Å; M230-Y276 HydrophobicContact CE-CE2 3.69Å; M230-Y276 WeakPolarHBondContact CE-OH 3.39Å; M230-F296 HydrophobicContact CE-CD1 4.14Å; M230-F296 HydrophobicContact CE-CG 4.42Å; M230-F296 HydrophobicContact SD-CD1 3.88Å; M230-F296 HydrophobicContact SD-CD2 4.08Å; M230-F296 HydrophobicContact SD-CE1 3.85Å; M230-F296 HydrophobicContact SD-CE2 4.06Å; M230-F296 HydrophobicContact SD-CG 3.99Å; M230-F296 HydrophobicContact SD-CZ 3.94Å |
| 231 | N | 94.4 | Very high | 88.3 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 7% | 0.07 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.2 | 177 | -167.5 | 22 | 0 | 0 | 0 | 109.7 | D219 L225 M267 | D219-N231 HydrophobicContact CB-CB 4.2Å; D219-N231 PolarHBondContact N-O 3.09Å; D219-N231 PolarHBondContact O-N 3.37Å; L225-N231 HydrophobicContact CD1-CB 3.78Å; N231-M267 PolarHBondContact OD1-O 3.35Å |
| 232 | L | 95.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 124.1 | 170.9 | -59.6 | -178.7 | 0 | 0 | 0 | 107.5 | L216 E217 I218 M230 F251 L258 H266 M267 V269 Y276 | L216-L232 HydrophobicContact CD1-CB 4.25Å; E217-L232 WeakPolarHBondContact O-CA 2.99Å; I218-L232 HydrophobicContact CB-CD2 4.33Å; I218-L232 HydrophobicContact CD1-CD2 4.46Å; I218-L232 HydrophobicContact CG1-CD2 3.84Å; I218-L232 HydrophobicContact CG2-CD2 4.08Å; M230-L232 HydrophobicContact CE-CD2 4.2Å; L232-F251 HydrophobicContact CB-CD1 3.77Å; L232-F251 HydrophobicContact CB-CE1 3.83Å; L232-F251 HydrophobicContact CD1-CB 4.49Å; L232-F251 HydrophobicContact CD1-CD1 4.18Å; L232-L258 HydrophobicContact CD1-CD1 3.93Å; L232-H266 CarbonylContact O-C 3.44Å; L232-H266 WeakPolarHBondContact O-CA 3.43Å; L232-H266 WeakPolarHBondContact O-CB 3.4Å; L232-M267 HydrophobicContact CD1-CE 4.15Å; L232-M267 PolarHBondContact N-O 2.87Å; L232-M267 PolarHBondContact O-N 3.3Å; L232-V269 HydrophobicContact CD1-CG1 4.11Å; L232-V269 HydrophobicContact CD1-CG2 3.96Å; L232-V269 HydrophobicContact CD2-CG2 4.43Å; L232-V269 HydrophobicContact CG-CG2 3.9Å; L232-Y276 HydrophobicContact CD1-CD1 3.55Å; L232-Y276 HydrophobicContact CD1-CE1 3.96Å; L232-Y276 HydrophobicContact CD1-CG 4.49Å; L232-Y276 HydrophobicContact CD2-CD1 4.01Å; L232-Y276 HydrophobicContact CD2-CE1 4.49Å; L232-Y276 HydrophobicContact CD2-CG 4.3Å; L232-Y276 HydrophobicContact CG-CD1 4.44Å |
| 233 | I | 96.6 | Very high | 88.5 | Confident | 26 Ų | 26 | 72.9 Ų | 72.9 | 13% | 0.133 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.5 | -179.9 | -50.4 | 168.6 | 0 | 0 | 0 | 108.2 | E217 D219 N265 H266 | E217-I233 HydrophobicContact CB-CB 4.23Å; E217-I233 PolarHBondContact N-O 2.04Å; E217-I233 PolarHBondContact O-N 2.79Å; D219-I233 HydrophobicContact CB-CD1 4.41Å; I233-N265 CarbonylContact C-O 3.58Å; I233-N265 WeakPolarHBondContact CA-O 3.26Å; I233-H266 HydrophobicContact CB-CB 4.5Å; I233-H266 HydrophobicContact CG1-CB 4.07Å |
| 234 | C | 96.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 95.5 | 177.3 | -166.3 | 0 | 0 | 0 | 0 | 109 | V236 Y249 F251 N265 C278 | C234-V236 PolarHBondContact O-N 2.79Å; C234-Y249 HydrophobicContact CB-CD1 3.88Å; C234-Y249 HydrophobicContact CB-CE1 4.3Å; C234-F251 HydrophobicContact CB-CE1 3.86Å; C234-F251 HydrophobicContact CB-CZ 3.91Å; C234-N265 PolarHBondContact N-O 2.03Å; C234-C278 HydrophobicContact CB-CB 3.59Å; C234-C278 WeakPolarHBondContact CB-SG 3.31Å; C234-C278 WeakPolarHBondContact SG-CB 3.44Å; C234-C278 CovalentContact SG-SG 2.04Å; C234-C278 PolarHBondContact SG-SG 2.8Å |
| 235 | H | 97 | Very high | 89.9 | Confident | 81 Ų | 81 | 62.5 Ų | 62.5 | 38% | 0.375 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 119.2 | 175.8 | -65 | -67.3 | 0 | 0 | 0 | 109.4 | P214 V215 E217 | P214-H235 CarbonylContact C-O 3.58Å; P214-H235 WeakPolarHBondContact CA-O 3.34Å; V215-H235 PolarHBondContact N-O 2.86Å; V215-H235 PolarHBondContact O-N 2.83Å; E217-H235 IonicContact OE2-CD2 2.62Å; E217-H235 IonicContact OE2-CE1 3.06Å; E217-H235 IonicContact OE2-NE2 3.88Å; E217-H235 PolarHBondContact OE2-NE2 2.87Å |
| 236 | V | 94.7 | Very high | 90.7 | Very high | 28 Ų | 28 | 65.6 Ų | 65.6 | 17% | 0.17 | 37% | 0.373 | C | S | . | . | trans | -136.8 | 133.2 | 175 | 72.4 | 0 | 0 | 0 | 0 | 109.3 | L211 A212 P214 C234 Y249 A280 | L211-V236 HydrophobicContact CD1-CG1 4.46Å; L211-V236 HydrophobicContact CD1-CG2 3.59Å; L211-V236 HydrophobicContact CG-CG2 4Å; A212-V236 WeakPolarHBondContact O-CG2 3.29Å; P214-V236 HydrophobicContact CB-CB 4.04Å; P214-V236 HydrophobicContact CB-CG2 4.11Å; C234-V236 PolarHBondContact O-N 2.79Å; V236-Y249 HydrophobicContact CB-CE1 4.45Å; V236-Y249 HydrophobicContact CG1-CE1 3.52Å; V236-Y249 WeakPolarHBondContact CG1-OH 3.25Å; V236-A280 HydrophobicContact CG1-CB 4.45Å; V236-A280 HydrophobicContact CG2-CB 4.25Å | ||
| 237 | Q | 94.1 | Very high | 91.5 | Very high | 112 Ų | 112 | 64 Ų | 64 | 52% | 0.523 | 35% | 0.354 | S | S | . | . | trans | -88.5 | 123.2 | 170.2 | -170.6 | 175.7 | -2.2 | 0 | 0 | 108.8 | A212 N239 | A212-Q237 HydrophobicContact CB-CB 3.9Å; A212-Q237 PolarHBondContact N-O 3.18Å; Q237-N239 WeakPolarHBondContact CG-OD1 3.16Å; Q237-N239 PolarHBondContact NE2-OD1 2.85Å | ||
| 238 | Y | 93.4 | Very high | 92.3 | Very high | 56 Ų | 56 | 55.1 Ų | 55.1 | 22% | 0.22 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -119.9 | 105.7 | -179.3 | -178.1 | -137.7 | 0 | 0 | 0 | 109.5 | V210 L211 A240 A244 P245 V247 V282 | V210-Y238 HydrophobicContact CG1-CE2 4.13Å; V210-Y238 VanDerWaalsContact O-CD2 3.26Å; V210-Y238 WeakPolarHBondContact O-CD2 3.47Å; L211-Y238 HydrophobicContact CB-CD2 4.47Å; L211-Y238 HydrophobicContact CD1-CD2 3.74Å; L211-Y238 HydrophobicContact CD1-CG 4.2Å; Y238-A240 HydrophobicContact CD1-CB 4.5Å; Y238-A240 HydrophobicContact CD2-CB 4.07Å; Y238-A240 HydrophobicContact CE1-CB 3.92Å; Y238-A240 HydrophobicContact CE2-CB 3.39Å; Y238-A244 HydrophobicContact CE1-CB 3.9Å; Y238-P245 WeakPolarHBondContact CE1-O 3.46Å; Y238-P245 WeakPolarHBondContact OH-CD 2.89Å; Y238-P245 PolarHBondContact OH-O 2.79Å; Y238-V247 HydrophobicContact CD1-CG2 3.52Å; Y238-V247 HydrophobicContact CD2-CG2 4.37Å; Y238-V247 HydrophobicContact CE1-CG2 3.68Å; Y238-V247 HydrophobicContact CG-CG2 3.88Å; Y238-V282 HydrophobicContact CD2-CG2 4.48Å; Y238-V282 HydrophobicContact CE2-CG2 3.84Å; Y238-V282 WeakPolarHBondContact OH-CG1 3.35Å |
| 239 | N | 92.1 | Very high | 92.8 | Very high | 39 Ų | 39 | 50.4 Ų | 50.4 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | trans | -99.4 | 22.9 | -170.9 | -57.2 | -58 | 0 | 0 | 0 | 112.5 | L131 L208 E209 V210 Q237 | L131-N239 HydrophobicContact CD2-CB 3.83Å; L208-N239 HydrophobicContact CB-CB 4.47Å; L208-N239 HydrophobicContact CD1-CB 4.49Å; E209-N239 PolarHBondContact O-ND2 3.06Å; V210-N239 PolarHBondContact O-N 3.06Å; Q237-N239 WeakPolarHBondContact CG-OD1 3.16Å; Q237-N239 PolarHBondContact NE2-OD1 2.85Å | ||
| 240 | A | 89.7 | Confident | 93 | Very high | 18 Ų | 18 | 47.5 Ų | 47.5 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 136 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V210 Y238 A244 | V210-A240 HydrophobicContact CG1-CB 4.26Å; Y238-A240 HydrophobicContact CD1-CB 4.5Å; Y238-A240 HydrophobicContact CD2-CB 4.07Å; Y238-A240 HydrophobicContact CE1-CB 3.92Å; Y238-A240 HydrophobicContact CE2-CB 3.39Å; A240-A244 HydrophobicContact CB-CB 3.97Å |
| 241 | P | 85.6 | Confident | 93.2 | Very high | 98 Ų | 98 | 47.6 Ų | 47.6 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 146.6 | 174.4 | -21.8 | 33.3 | 0 | 0 | 0 | 112.1 | L131 P243 A244 | L131-P241 HydrophobicContact CD1-CG 4.3Å; P241-P243 CarbonylContact O-C 3.37Å; P241-A244 PolarHBondContact O-N 2.75Å |
| 242 | A | 82.2 | Confident | 93.2 | Very high | 97 Ų | 97 | 47.9 Ų | 47.9 | 80% | 0.802 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -71.4 | 138.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 243 | P | 87.9 | Confident | 93.2 | Very high | 132 Ų | 132 | 50.2 Ų | 50.2 | 86% | 0.857 | 29% | 0.294 | S | S | * | . | S | Bend | cis | -77.6 | 118.3 | -0.5 | 30.3 | -32.8 | 0 | 0 | 0 | 112.6 | P241 | P241-P243 CarbonylContact O-C 3.37Š|
| 244 | A | 88.1 | Confident | 92.9 | Very high | 52 Ų | 52 | 51.9 Ų | 51.9 | 43% | 0.43 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 130.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y238 A240 P241 | Y238-A244 HydrophobicContact CE1-CB 3.9Å; A240-A244 HydrophobicContact CB-CB 3.97Å; P241-A244 PolarHBondContact O-N 2.75Å |
| 245 | P | 92.9 | Very high | 92.5 | Very high | 20 Ų | 20 | 54.4 Ų | 54.4 | 13% | 0.13 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 149.7 | 173.7 | -23.5 | 33 | 0 | 0 | 0 | 112.5 | Y238 V282 K284 L285 | Y238-P245 WeakPolarHBondContact CE1-O 3.46Å; Y238-P245 WeakPolarHBondContact OH-CD 2.89Å; Y238-P245 PolarHBondContact OH-O 2.79Å; P245-V282 HydrophobicContact CB-CG1 3.92Å; P245-K284 HydrophobicContact CB-CB 3.97Å; P245-K284 HydrophobicContact CB-CD 4.19Å; P245-K284 HydrophobicContact CG-CB 4.26Å; P245-K284 HydrophobicContact CG-CD 3.93Å; P245-L285 HydrophobicContact CG-CG 4.41Å |
| 246 | P | 93.6 | Very high | 92.3 | Very high | 98 Ų | 98 | 56 Ų | 56 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -69 | 148 | -177.9 | 28.5 | -35 | 0 | 0 | 0 | 112.7 | ||
| 247 | V | 95.6 | Very high | 92.3 | Very high | 16 Ų | 16 | 58.8 Ų | 58.8 | 10% | 0.097 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -98.6 | 130.4 | 174.4 | -171.7 | 0 | 0 | 0 | 0 | 109.1 | Y238 Y249 A280 V282 | Y238-V247 HydrophobicContact CD1-CG2 3.52Å; Y238-V247 HydrophobicContact CD2-CG2 4.37Å; Y238-V247 HydrophobicContact CE1-CG2 3.68Å; Y238-V247 HydrophobicContact CG-CG2 3.88Å; V247-Y249 HydrophobicContact CB-CE2 4.05Å; V247-Y249 HydrophobicContact CG1-CD2 4.46Å; V247-Y249 HydrophobicContact CG1-CE1 4.23Å; V247-Y249 HydrophobicContact CG1-CE2 3.96Å; V247-A280 HydrophobicContact CG1-CB 3.94Å; V247-V282 HydrophobicContact CG1-CG2 4.48Å; V247-V282 HydrophobicContact CG2-CG2 4.02Å |
| 248 | N | 96.7 | Very high | 92.3 | Very high | 46 Ų | 46 | 56.7 Ų | 56.7 | 25% | 0.246 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124.5 | 173.3 | -68.9 | -3 | 0 | 0 | 0 | 109.7 | Y250 A261 K281 | N248-Y250 HydrophobicContact CB-CE2 3.95Å; N248-A261 HydrophobicContact CB-CB 4.3Å; N248-K281 PolarHBondContact N-O 2.85Å; N248-K281 PolarHBondContact O-N 3.08Å |
| 249 | Y | 97 | Very high | 92.2 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 11% | 0.106 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 143.1 | 178.4 | -61 | -90.7 | 0 | 0 | 0 | 111 | C234 V236 V247 A261 T262 L264 N265 R279 A280 | C234-Y249 HydrophobicContact CB-CD1 3.88Å; C234-Y249 HydrophobicContact CB-CE1 4.3Å; V236-Y249 HydrophobicContact CB-CE1 4.45Å; V236-Y249 HydrophobicContact CG1-CE1 3.52Å; V236-Y249 WeakPolarHBondContact CG1-OH 3.25Å; V247-Y249 HydrophobicContact CB-CE2 4.05Å; V247-Y249 HydrophobicContact CG1-CD2 4.46Å; V247-Y249 HydrophobicContact CG1-CE1 4.23Å; V247-Y249 HydrophobicContact CG1-CE2 3.96Å; Y249-A261 WeakPolarHBondContact O-CA 3.41Å; Y249-T262 PolarHBondContact N-O 3.3Å; Y249-T262 PolarHBondContact O-N 3.4Å; Y249-L264 WeakPolarHBondContact CD2-O 3.5Å; Y249-N265 HydrophobicContact CD1-CB 4.27Å; Y249-N265 HydrophobicContact CD2-CB 4.37Å; Y249-N265 HydrophobicContact CE1-CB 3.81Å; Y249-N265 HydrophobicContact CE2-CB 3.95Å; Y249-R279 CarbonylContact C-O 3.54Å; Y249-R279 WeakPolarHBondContact CA-O 3.33Å; Y249-A280 HydrophobicContact CD1-CB 4.38Å; Y249-A280 HydrophobicContact CE1-CB 4.34Å |
| 250 | Y | 96.6 | Very high | 92.2 | Very high | 37 Ų | 37 | 58.6 Ų | 58.6 | 15% | 0.145 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 140.6 | 175.4 | -56 | -104.2 | 0 | 0 | 0 | 108.2 | N248 L257 A261 C278 R279 K281 | N248-Y250 HydrophobicContact CB-CE2 3.95Å; Y250-L257 HydrophobicContact CD1-CD1 4.01Å; Y250-L257 HydrophobicContact CG-CD1 4.49Å; Y250-A261 HydrophobicContact CD1-CB 4.13Å; Y250-A261 HydrophobicContact CE1-CB 3.51Å; Y250-A261 HydrophobicContact CE2-CB 4.14Å; Y250-A261 VanDerWaalsContact CZ-CB 3.48Å; Y250-C278 CarbonylContact O-C 3.59Å; Y250-C278 WeakPolarHBondContact O-CA 3.05Å; Y250-R279 VanDerWaalsContact CE1-NH2 3.34Å; Y250-R279 PolarHBondContact N-O 3.38Å; Y250-R279 PolarHBondContact O-N 2.82Å; Y250-K281 HydrophobicContact CE2-CB 3.99Å |
| 251 | F | 96.5 | Very high | 92.3 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 1% | 0.013 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 141 | -178 | -67.5 | -89.5 | 0 | 0 | 0 | 110.2 | L216 L232 C234 L258 M267 C278 | L216-F251 HydrophobicContact CD1-CD1 4.23Å; L216-F251 HydrophobicContact CD1-CE1 4.17Å; L232-F251 HydrophobicContact CB-CD1 3.77Å; L232-F251 HydrophobicContact CB-CE1 3.83Å; L232-F251 HydrophobicContact CD1-CB 4.49Å; L232-F251 HydrophobicContact CD1-CD1 4.18Å; C234-F251 HydrophobicContact CB-CE1 3.86Å; C234-F251 HydrophobicContact CB-CZ 3.91Å; F251-L258 HydrophobicContact CB-CD1 4.19Å; F251-L258 WeakPolarHBondContact O-CB 3.38Å; F251-L258 PolarHBondContact O-N 3.38Å; F251-M267 HydrophobicContact CB-CE 3.37Å; F251-M267 HydrophobicContact CB-SD 3.96Å; F251-M267 HydrophobicContact CD2-CB 3.65Å; F251-M267 HydrophobicContact CD2-CE 4.21Å; F251-M267 HydrophobicContact CD2-CG 4.38Å; F251-M267 HydrophobicContact CD2-SD 3.86Å; F251-M267 HydrophobicContact CE2-CB 3.71Å; F251-M267 HydrophobicContact CG-CB 4.08Å; F251-M267 HydrophobicContact CG-CE 3.88Å; F251-M267 HydrophobicContact CG-SD 4.15Å; F251-M267 HydrophobicContact CZ-CB 4.18Å; F251-C278 HydrophobicContact CD1-CB 3.96Å; F251-C278 HydrophobicContact CE1-CB 4.06Å |
| 252 | Y | 95.3 | Very high | 92.6 | Very high | 18 Ų | 18 | 56.9 Ų | 56.9 | 7% | 0.071 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 149.8 | -173.9 | -61.2 | -98.5 | 0 | 0 | 0 | 111.1 | N256 L257 Y276 S277 R279 W290 | Y252-N256 CarbonylContact C-O 3.53Å; Y252-N256 WeakPolarHBondContact CA-O 3.48Å; Y252-L257 HydrophobicContact CD1-CB 4.25Å; Y252-L257 HydrophobicContact CD1-CD1 4.35Å; Y252-L257 HydrophobicContact CE1-CB 3.98Å; Y252-L257 HydrophobicContact CE1-CD1 3.8Å; Y252-L257 HydrophobicContact CE1-CG 4.5Å; Y252-L257 HydrophobicContact CE2-CD1 4.18Å; Y252-Y276 VanDerWaalsContact O-CA 3.31Å; Y252-Y276 WeakPolarHBondContact O-CA 3.34Å; Y252-S277 PolarHBondContact N-O 3.16Å; Y252-S277 PolarHBondContact O-N 2.62Å; Y252-R279 HydrophobicContact CE2-CB 3.95Å; Y252-R279 PolarHBondContact OH-NE 2.97Å; Y252-R279 PolarHBondContact OH-NH1 3Å; Y252-R279 VanDerWaalsContact OH-NH1 3.11Å; Y252-R279 PolarHBondContact OH-NH2 3.11Å; Y252-W290 HydrophobicContact CD1-CZ3 4.45Å; Y252-W290 HydrophobicContact CD2-CH2 4.23Å; Y252-W290 AromaticContact CD2-CZ3 3.58Å; Y252-W290 HydrophobicContact CD2-CZ3 3.58Å; Y252-W290 AromaticContact CE1-CH2 3.98Å; Y252-W290 HydrophobicContact CE1-CH2 3.98Å; Y252-W290 HydrophobicContact CE1-CZ3 4.26Å; Y252-W290 HydrophobicContact CE2-CE3 4.36Å; Y252-W290 AromaticContact CE2-CH2 3.64Å; Y252-W290 HydrophobicContact CE2-CH2 3.64Å; Y252-W290 AromaticContact CE2-CZ3 3.36Å; Y252-W290 HydrophobicContact CE2-CZ3 3.36Å; Y252-W290 HydrophobicContact CG-CZ3 4.15Å; Y252-W290 AromaticContact CZ-CH2 3.51Å; Y252-W290 AromaticContact CZ-CZ3 3.74Å |
| 253 | K | 94.6 | Very high | 93 | Very high | 50 Ų | 50 | 56.9 Ų | 56.9 | 22% | 0.217 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 121.8 | 166.5 | -176.3 | -171.5 | -175.2 | -167.3 | 0 | 109 | N255 N256 L258 S273 W275 Y276 | K253-N255 PolarHBondContact O-N 2.87Å; K253-N256 PolarHBondContact N-O 2.92Å; K253-N256 WeakPolarHBondContact O-CB 3.18Å; K253-N256 PolarHBondContact O-N 3.45Å; K253-L258 HydrophobicContact CB-CD1 4.03Å; K253-L258 HydrophobicContact CB-CD2 3.71Å; K253-L258 HydrophobicContact CB-CG 4Å; K253-S273 WeakPolarHBondContact CE-O 3.15Å; K253-S273 PolarHBondContact NZ-O 2.89Å; K253-W275 CarbonylContact C-O 3.49Å; K253-W275 WeakPolarHBondContact CA-O 3.38Å; K253-Y276 HydrophobicContact CB-CD1 4.16Å; K253-Y276 HydrophobicContact CB-CE1 3.86Å; K253-Y276 HydrophobicContact CD-CE1 4.11Å; K253-Y276 WeakPolarHBondContact CD-OH 3.45Å; K253-Y276 WeakPolarHBondContact CE-OH 3.49Å; K253-Y276 HydrophobicContact CG-CD1 4.38Å; K253-Y276 HydrophobicContact CG-CE1 3.85Å; K253-Y276 HydrophobicContact CG-CE2 4.28Å |
| 254 | N | 91.1 | Very high | 93.3 | Very high | 61 Ų | 61 | 55.3 Ų | 55.3 | 33% | 0.326 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 44.9 | -176.3 | -56.1 | -25.8 | 0 | 0 | 0 | 111.4 | N256 G274 W275 | N254-N256 PolarHBondContact O-N 2.9Å; N254-N256 VanDerWaalsContact O-N 3.14Å; N254-N256 PolarHBondContact O-ND2 3.11Å; N254-G274 WeakPolarHBondContact OD1-CA 3.46Å; N254-W275 PolarHBondContact N-O 2.86Å; N254-W275 PolarHBondContact OD1-N 3.37Å |
| 255 | N | 88.9 | Confident | 93.6 | Very high | 54 Ų | 54 | 55.5 Ų | 55.5 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 3.3 | -173 | -71.1 | -8 | 0 | 0 | 0 | 117.4 | K253 L304 M305 | K253-N255 PolarHBondContact O-N 2.87Å; N255-L304 WeakPolarHBondContact ND2-CB 3.48Å; N255-L304 PolarHBondContact ND2-O 3.22Å; N255-L304 PolarHBondContact OD1-O 3.05Å; N255-M305 PolarHBondContact ND2-O 3.13Å; N255-M305 VanDerWaalsContact ND2-O 3.09Å |
| 256 | N | 92.3 | Very high | 93.7 | Very high | 113 Ų | 113 | 57.3 Ų | 57.3 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 133.6 | 172.5 | -61.1 | -60.4 | 0 | 0 | 0 | 110.7 | Y252 K253 N254 L258 | Y252-N256 CarbonylContact C-O 3.53Å; Y252-N256 WeakPolarHBondContact CA-O 3.48Å; K253-N256 PolarHBondContact N-O 2.92Å; K253-N256 WeakPolarHBondContact O-CB 3.18Å; K253-N256 PolarHBondContact O-N 3.45Å; N254-N256 PolarHBondContact O-N 2.9Å; N254-N256 VanDerWaalsContact O-N 3.14Å; N254-N256 PolarHBondContact O-ND2 3.11Å; N256-L258 PolarHBondContact O-N 3.04Å |
| 257 | L | 94.7 | Very high | 93.7 | Very high | 88 Ų | 88 | 54 Ų | 54 | 46% | 0.461 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 128.5 | 176.9 | -176 | 69.3 | 0 | 0 | 0 | 109.8 | Y250 Y252 G259 | Y250-L257 HydrophobicContact CD1-CD1 4.01Å; Y250-L257 HydrophobicContact CG-CD1 4.49Å; Y252-L257 HydrophobicContact CD1-CB 4.25Å; Y252-L257 HydrophobicContact CD1-CD1 4.35Å; Y252-L257 HydrophobicContact CE1-CB 3.98Å; Y252-L257 HydrophobicContact CE1-CD1 3.8Å; Y252-L257 HydrophobicContact CE1-CG 4.5Å; Y252-L257 HydrophobicContact CE2-CD1 4.18Å; L257-G259 WeakPolarHBondContact CD1-O 3.18Å; L257-G259 VanDerWaalsContact CD2-O 3.25Å; L257-G259 WeakPolarHBondContact CD2-O 3.44Å; L257-G259 WeakPolarHBondContact CG-O 3.38Å |
| 258 | L | 94.2 | Very high | 93.6 | Very high | 67 Ų | 67 | 57.9 Ų | 57.9 | 35% | 0.351 | 32% | 0.321 | S | S | . | . | trans | -85.1 | -16 | -176.4 | -72.7 | 167.4 | 0 | 0 | 0 | 113.7 | L232 F251 K253 N256 M267 V269 Y276 | L232-L258 HydrophobicContact CD1-CD1 3.93Å; F251-L258 HydrophobicContact CB-CD1 4.19Å; F251-L258 WeakPolarHBondContact O-CB 3.38Å; F251-L258 PolarHBondContact O-N 3.38Å; K253-L258 HydrophobicContact CB-CD1 4.03Å; K253-L258 HydrophobicContact CB-CD2 3.71Å; K253-L258 HydrophobicContact CB-CG 4Å; N256-L258 PolarHBondContact O-N 3.04Å; L258-M267 HydrophobicContact CB-CE 3.42Å; L258-M267 VanDerWaalsContact CB-CE 3.42Å; L258-M267 HydrophobicContact CB-SD 4.32Å; L258-M267 HydrophobicContact CD1-CE 3.55Å; L258-M267 HydrophobicContact CG-CE 4.12Å; L258-V269 HydrophobicContact CD1-CG1 4.25Å; L258-Y276 HydrophobicContact CD1-CD1 4.14Å; L258-Y276 HydrophobicContact CD1-CE1 4.06Å | ||
| 259 | G | 91.6 | Very high | 93.5 | Very high | 23 Ų | 23 | 56.6 Ų | 56.6 | 24% | 0.237 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -179.7 | -179.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L257 | L257-G259 WeakPolarHBondContact CD1-O 3.18Å; L257-G259 VanDerWaalsContact CD2-O 3.25Å; L257-G259 WeakPolarHBondContact CD2-O 3.44Å; L257-G259 WeakPolarHBondContact CG-O 3.38Å |
| 260 | P | 92.3 | Very high | 93.3 | Very high | 112 Ų | 112 | 60.7 Ų | 60.7 | 73% | 0.727 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -64.6 | 168.2 | 175 | 30.3 | -35.6 | 0 | 0 | 0 | 111.6 | T262 | P260-T262 PolarHBondContact O-N 3.07Š|
| 261 | A | 90.5 | Very high | 93 | Very high | 43 Ų | 43 | 62.7 Ų | 62.7 | 36% | 0.355 | 35% | 0.348 | S | S | . | . | trans | -61.5 | 135 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N248 Y249 Y250 | N248-A261 HydrophobicContact CB-CB 4.3Å; Y249-A261 WeakPolarHBondContact O-CA 3.41Å; Y250-A261 HydrophobicContact CD1-CB 4.13Å; Y250-A261 HydrophobicContact CE1-CB 3.51Å; Y250-A261 HydrophobicContact CE2-CB 4.14Å; Y250-A261 VanDerWaalsContact CZ-CB 3.48Å | ||
| 262 | T | 91.8 | Very high | 92.8 | Very high | 37 Ų | 37 | 64.1 Ų | 64.1 | 23% | 0.227 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -110.9 | 147.8 | 177.2 | 60.7 | 0 | 0 | 0 | 0 | 110.8 | Y249 P260 L264 | Y249-T262 PolarHBondContact N-O 3.3Å; Y249-T262 PolarHBondContact O-N 3.4Å; P260-T262 PolarHBondContact O-N 3.07Å; T262-L264 VanDerWaalsContact C-N 3.34Å; T262-L264 PolarHBondContact OG1-O 3.17Å |
| 263 | S | 91.4 | Very high | 92.7 | Very high | 98 Ų | 98 | 66.3 Ų | 66.3 | 69% | 0.685 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -80.1 | -21.9 | 167 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | ||
| 264 | L | 93.5 | Very high | 92.7 | Very high | 99 Ų | 99 | 64 Ų | 64 | 52% | 0.518 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -80.1 | 139.3 | 174.6 | -63.3 | 173.7 | 0 | 0 | 0 | 110.2 | Y249 T262 H266 | Y249-L264 WeakPolarHBondContact CD2-O 3.5Å; T262-L264 VanDerWaalsContact C-N 3.34Å; T262-L264 PolarHBondContact OG1-O 3.17Å; L264-H266 PolarHBondContact O-N 3.25Å; L264-H266 VanDerWaalsContact O-N 3.16Å |
| 265 | N | 94.5 | Very high | 92.8 | Very high | 56 Ų | 56 | 63.6 Ų | 63.6 | 30% | 0.299 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -76.7 | 11 | 176.8 | 75.6 | -32.3 | 0 | 0 | 0 | 113.2 | I233 C234 Y249 | I233-N265 CarbonylContact C-O 3.58Å; I233-N265 WeakPolarHBondContact CA-O 3.26Å; C234-N265 PolarHBondContact N-O 2.03Å; Y249-N265 HydrophobicContact CD1-CB 4.27Å; Y249-N265 HydrophobicContact CD2-CB 4.37Å; Y249-N265 HydrophobicContact CE1-CB 3.81Å; Y249-N265 HydrophobicContact CE2-CB 3.95Å |
| 266 | H | 94.7 | Very high | 93.1 | Very high | 57 Ų | 57 | 61.1 Ų | 61.1 | 26% | 0.264 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 158 | -179.1 | 66.8 | -87.5 | 0 | 0 | 0 | 112.1 | L232 I233 L264 | L232-H266 CarbonylContact O-C 3.44Å; L232-H266 WeakPolarHBondContact O-CA 3.43Å; L232-H266 WeakPolarHBondContact O-CB 3.4Å; I233-H266 HydrophobicContact CB-CB 4.5Å; I233-H266 HydrophobicContact CG1-CB 4.07Å; L264-H266 PolarHBondContact O-N 3.25Å; L264-H266 VanDerWaalsContact O-N 3.16Å |
| 267 | M | 94.1 | Very high | 93.3 | Very high | 29 Ų | 29 | 55.8 Ų | 55.8 | 14% | 0.143 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 133.9 | 180 | -173.2 | -179.1 | 78.2 | 0 | 0 | 111.8 | N231 L232 F251 L258 V269 | N231-M267 PolarHBondContact OD1-O 3.35Å; L232-M267 HydrophobicContact CD1-CE 4.15Å; L232-M267 PolarHBondContact N-O 2.87Å; L232-M267 PolarHBondContact O-N 3.3Å; F251-M267 HydrophobicContact CB-CE 3.37Å; F251-M267 HydrophobicContact CB-SD 3.96Å; F251-M267 HydrophobicContact CD2-CB 3.65Å; F251-M267 HydrophobicContact CD2-CE 4.21Å; F251-M267 HydrophobicContact CD2-CG 4.38Å; F251-M267 HydrophobicContact CD2-SD 3.86Å; F251-M267 HydrophobicContact CE2-CB 3.71Å; F251-M267 HydrophobicContact CG-CB 4.08Å; F251-M267 HydrophobicContact CG-CE 3.88Å; F251-M267 HydrophobicContact CG-SD 4.15Å; F251-M267 HydrophobicContact CZ-CB 4.18Å; L258-M267 HydrophobicContact CB-CE 3.42Å; L258-M267 VanDerWaalsContact CB-CE 3.42Å; L258-M267 HydrophobicContact CB-SD 4.32Å; L258-M267 HydrophobicContact CD1-CE 3.55Å; L258-M267 HydrophobicContact CG-CE 4.12Å; M267-V269 HydrophobicContact CE-CG1 3.29Å; M267-V269 HydrophobicContact CG-CG1 4.4Å |
| 268 | H | 93.8 | Very high | 93.3 | Very high | 97 Ų | 97 | 51.6 Ų | 51.6 | 45% | 0.449 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 129.5 | 177.4 | -54.7 | 115.8 | 0 | 0 | 0 | 111.3 | L225 | L225-H268 HydrophobicContact CD2-CB 4.11Å; L225-H268 WeakPolarHBondContact CD2-CD2 3.44Å |
| 269 | V | 93.4 | Very high | 93.4 | Very high | 20 Ų | 20 | 51 Ų | 51 | 12% | 0.121 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 159.2 | 179.5 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | K229 M230 L232 L258 M267 | K229-V269 CarbonylContact C-O 3.57Å; K229-V269 VanDerWaalsContact CA-O 3.26Å; K229-V269 WeakPolarHBondContact CA-O 3.08Å; M230-V269 HydrophobicContact CE-CG2 3.47Å; M230-V269 VanDerWaalsContact CE-CG2 3.47Å; M230-V269 HydrophobicContact CG-CG2 3.53Å; M230-V269 PolarHBondContact N-O 2.81Å; M230-V269 PolarHBondContact O-N 2.86Å; M230-V269 HydrophobicContact SD-CG2 4.36Å; L232-V269 HydrophobicContact CD1-CG1 4.11Å; L232-V269 HydrophobicContact CD1-CG2 3.96Å; L232-V269 HydrophobicContact CD2-CG2 4.43Å; L232-V269 HydrophobicContact CG-CG2 3.9Å; L258-V269 HydrophobicContact CD1-CG1 4.25Å; M267-V269 HydrophobicContact CE-CG1 3.29Å; M267-V269 HydrophobicContact CG-CG1 4.4Å |
| 270 | N | 93 | Very high | 93.6 | Very high | 112 Ų | 112 | 49.9 Ų | 49.9 | 60% | 0.599 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 140.5 | 169.9 | -66 | -28.9 | 0 | 0 | 0 | 110 | N228 A272 | N228-N270 CarbonylContact O-C 3.52Å; N228-N270 WeakPolarHBondContact O-CA 3.5Å; N270-A272 PolarHBondContact O-N 2.85Å |
| 271 | K | 91.9 | Very high | 93.8 | Very high | 79 Ų | 79 | 47.5 Ų | 47.5 | 34% | 0.343 | 26% | 0.259 | S | S | . | . | trans | -60.1 | 117.9 | 173.5 | -72.3 | 179.1 | 177.3 | 171.9 | 0 | 108.7 | K220 R227 N228 K229 M230 F296 | K220-K271 WeakPolarHBondContact O-CE 3.49Å; K220-K271 PolarHBondContact O-NZ 2.82Å; R227-K271 WeakPolarHBondContact O-CE 3.21Å; R227-K271 PolarHBondContact O-NZ 3.18Å; N228-K271 PolarHBondContact O-N 2.79Å; K229-K271 WeakPolarHBondContact O-CE 3.4Å; M230-K271 HydrophobicContact CB-CG 4.03Å; M230-K271 HydrophobicContact CG-CG 4.25Å; M230-K271 HydrophobicContact SD-CG 4.38Å; K271-F296 HydrophobicContact CB-CE1 4.08Å; K271-F296 HydrophobicContact CB-CZ 4.22Å; K271-F296 HydrophobicContact CD-CZ 4.48Å; K271-F296 HydrophobicContact CG-CE1 4.44Å; K271-F296 HydrophobicContact CG-CZ 4.13Å | ||
| 272 | A | 92.1 | Very high | 94 | Very high | 34 Ų | 34 | 45.5 Ų | 45.5 | 28% | 0.281 | 24% | 0.242 | S | C | . | . | trans | -155.6 | 138.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | N270 Y276 F296 | N270-A272 PolarHBondContact O-N 2.85Å; A272-Y276 WeakPolarHBondContact O-CE2 3.14Å; A272-Y276 PolarHBondContact O-OH 2.82Å; A272-F296 WeakPolarHBondContact O-CD1 3.35Å | ||
| 273 | S | 93.2 | Very high | 94 | Very high | 63 Ų | 63 | 46.7 Ų | 46.7 | 44% | 0.441 | 25% | 0.25 | S | S | . | . | trans | -62.7 | 145.7 | -179.1 | -51.2 | 0 | 0 | 0 | 0 | 112 | K253 F296 E298 | K253-S273 WeakPolarHBondContact CE-O 3.15Å; K253-S273 PolarHBondContact NZ-O 2.89Å; S273-F296 CarbonylContact C-O 3.56Å; S273-F296 WeakPolarHBondContact CA-O 3.33Å; S273-E298 WeakPolarHBondContact CB-O 3.48Å | ||
| 274 | G | 92.9 | Very high | 94 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.7 | 178.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N254 Y276 S295 F296 | N254-G274 WeakPolarHBondContact OD1-CA 3.46Å; G274-Y276 WeakPolarHBondContact O-CD2 3.17Å; G274-S295 WeakPolarHBondContact O-CA 3.37Å; G274-F296 PolarHBondContact N-O 2.94Å; G274-F296 PolarHBondContact O-N 2.93Å |
| 275 | W | 93.8 | Very high | 93.8 | Very high | 53 Ų | 53 | 49.7 Ų | 49.7 | 20% | 0.201 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 121.1 | 173.5 | -66.8 | 104.6 | 0 | 0 | 0 | 109.9 | K253 N254 P293 V299 G301 P303 | K253-W275 CarbonylContact C-O 3.49Å; K253-W275 WeakPolarHBondContact CA-O 3.38Å; N254-W275 PolarHBondContact N-O 2.86Å; N254-W275 PolarHBondContact OD1-N 3.37Å; W275-P293 HydrophobicContact CE3-CB 4.09Å; W275-V299 HydrophobicContact CG-CG1 4.31Å; W275-G301 WeakPolarHBondContact CZ2-O 3.37Å; W275-G301 PolarHBondContact NE1-O 2.87Å; W275-P303 HydrophobicContact CD2-CB 3.68Å; W275-P303 HydrophobicContact CE3-CB 3.76Å; W275-P303 HydrophobicContact CE3-CG 4.37Å; W275-P303 HydrophobicContact CG-CB 4.09Å; W275-P303 HydrophobicContact CH2-CB 4.44Å; W275-P303 HydrophobicContact CH2-CG 4.33Å; W275-P303 HydrophobicContact CZ2-CB 4.38Å; W275-P303 HydrophobicContact CZ3-CB 4.13Å; W275-P303 HydrophobicContact CZ3-CG 4.25Å |
| 276 | Y | 95.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 141.2 | 178.8 | -68.8 | -93.7 | 0 | 0 | 0 | 110.6 | L216 I218 M230 L232 Y252 K253 L258 A272 G274 P293 R294 F296 | L216-Y276 VanDerWaalsContact CD2-O 3.27Å; L216-Y276 WeakPolarHBondContact CD2-O 3.36Å; I218-Y276 HydrophobicContact CD1-CD2 4.1Å; I218-Y276 HydrophobicContact CD1-CG 4.3Å; M230-Y276 HydrophobicContact CE-CD1 4.42Å; M230-Y276 HydrophobicContact CE-CD2 4.43Å; M230-Y276 HydrophobicContact CE-CE1 3.65Å; M230-Y276 HydrophobicContact CE-CE2 3.69Å; M230-Y276 WeakPolarHBondContact CE-OH 3.39Å; L232-Y276 HydrophobicContact CD1-CD1 3.55Å; L232-Y276 HydrophobicContact CD1-CE1 3.96Å; L232-Y276 HydrophobicContact CD1-CG 4.49Å; L232-Y276 HydrophobicContact CD2-CD1 4.01Å; L232-Y276 HydrophobicContact CD2-CE1 4.49Å; L232-Y276 HydrophobicContact CD2-CG 4.3Å; L232-Y276 HydrophobicContact CG-CD1 4.44Å; Y252-Y276 VanDerWaalsContact O-CA 3.31Å; Y252-Y276 WeakPolarHBondContact O-CA 3.34Å; K253-Y276 HydrophobicContact CB-CD1 4.16Å; K253-Y276 HydrophobicContact CB-CE1 3.86Å; K253-Y276 HydrophobicContact CD-CE1 4.11Å; K253-Y276 WeakPolarHBondContact CD-OH 3.45Å; K253-Y276 WeakPolarHBondContact CE-OH 3.49Å; K253-Y276 HydrophobicContact CG-CD1 4.38Å; K253-Y276 HydrophobicContact CG-CE1 3.85Å; K253-Y276 HydrophobicContact CG-CE2 4.28Å; L258-Y276 HydrophobicContact CD1-CD1 4.14Å; L258-Y276 HydrophobicContact CD1-CE1 4.06Å; A272-Y276 WeakPolarHBondContact O-CE2 3.14Å; A272-Y276 PolarHBondContact O-OH 2.82Å; G274-Y276 WeakPolarHBondContact O-CD2 3.17Å; Y276-P293 CarbonylContact O-C 3.5Å; Y276-P293 VanDerWaalsContact O-CA 3.29Å; Y276-P293 WeakPolarHBondContact O-CA 3.37Å; Y276-R294 PolarHBondContact N-O 3.24Å; Y276-R294 PolarHBondContact O-N 2.79Å; Y276-F296 HydrophobicContact CD2-CB 4.06Å; Y276-F296 HydrophobicContact CE2-CB 3.96Å |
| 277 | S | 95.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 161.2 | 171.8 | 61.9 | 0 | 0 | 0 | 0 | 110.3 | Y252 | Y252-S277 PolarHBondContact N-O 3.16Å; Y252-S277 PolarHBondContact O-N 2.62Å |
| 278 | C | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 157.7 | 171.1 | 68.9 | 0 | 0 | 0 | 0 | 112 | L216 C234 Y250 F251 S291 | L216-C278 HydrophobicContact CD1-CB 4.07Å; C234-C278 HydrophobicContact CB-CB 3.59Å; C234-C278 WeakPolarHBondContact CB-SG 3.31Å; C234-C278 WeakPolarHBondContact SG-CB 3.44Å; C234-C278 CovalentContact SG-SG 2.04Å; C234-C278 PolarHBondContact SG-SG 2.8Å; Y250-C278 CarbonylContact O-C 3.59Å; Y250-C278 WeakPolarHBondContact O-CA 3.05Å; F251-C278 HydrophobicContact CD1-CB 3.96Å; F251-C278 HydrophobicContact CE1-CB 4.06Å; C278-S291 PolarHBondContact N-OG 2.79Å; C278-S291 PolarHBondContact O-N 2.84Å |
| 279 | R | 95.6 | Very high | 93.6 | Very high | 54 Ų | 54 | 52.7 Ų | 52.7 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 127.7 | 175.9 | 179.9 | -177.6 | 75.5 | -172.1 | -0.8 | 109.3 | Y249 Y250 Y252 V288 R289 W290 | Y249-R279 CarbonylContact C-O 3.54Å; Y249-R279 WeakPolarHBondContact CA-O 3.33Å; Y250-R279 VanDerWaalsContact CE1-NH2 3.34Å; Y250-R279 PolarHBondContact N-O 3.38Å; Y250-R279 PolarHBondContact O-N 2.82Å; Y252-R279 HydrophobicContact CE2-CB 3.95Å; Y252-R279 PolarHBondContact OH-NE 2.97Å; Y252-R279 PolarHBondContact OH-NH1 3Å; Y252-R279 VanDerWaalsContact OH-NH1 3.11Å; Y252-R279 PolarHBondContact OH-NH2 3.11Å; R279-V288 HydrophobicContact CG-CG1 3.61Å; R279-R289 CarbonylContact C-O 3.5Å; R279-R289 VanDerWaalsContact CA-O 3.32Å; R279-R289 WeakPolarHBondContact CA-O 3.43Å; R279-W290 HydrophobicContact CB-CD2 3.89Å; R279-W290 HydrophobicContact CB-CE3 3.73Å; R279-W290 HydrophobicContact CB-CH2 4.33Å; R279-W290 HydrophobicContact CB-CZ2 4.48Å; R279-W290 HydrophobicContact CB-CZ3 3.95Å; R279-W290 VanDerWaalsContact CD-CE2 3.43Å; R279-W290 HydrophobicContact CG-CD2 3.93Å; R279-W290 HydrophobicContact CG-CE3 4.29Å; R279-W290 HydrophobicContact CG-CG 4.37Å; R279-W290 HydrophobicContact CG-CZ2 4.26Å |
| 280 | A | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 130.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | L211 V236 V247 Y249 V288 R289 | L211-A280 HydrophobicContact CD2-CB 4.05Å; V236-A280 HydrophobicContact CG1-CB 4.45Å; V236-A280 HydrophobicContact CG2-CB 4.25Å; V247-A280 HydrophobicContact CG1-CB 3.94Å; Y249-A280 HydrophobicContact CD1-CB 4.38Å; Y249-A280 HydrophobicContact CE1-CB 4.34Å; A280-V288 WeakPolarHBondContact O-CA 3.15Å; A280-R289 PolarHBondContact N-O 3.32Å; A280-R289 PolarHBondContact O-N 3.29Å |
| 281 | K | 95.3 | Very high | 93.9 | Very high | 62 Ų | 62 | 48.4 Ų | 48.4 | 27% | 0.27 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 133.5 | 177 | 177 | 166.8 | -172.8 | 175.9 | 0 | 109.9 | N248 Y250 P283 I287 V288 | N248-K281 PolarHBondContact N-O 2.85Å; N248-K281 PolarHBondContact O-N 3.08Å; Y250-K281 HydrophobicContact CE2-CB 3.99Å; K281-P283 HydrophobicContact CG-CG 4.41Å; K281-P283 WeakPolarHBondContact O-CD 3.1Å; K281-I287 CarbonylContact C-O 3.53Å; K281-I287 WeakPolarHBondContact CA-O 3.28Å; K281-V288 HydrophobicContact CB-CG2 4.16Å; K281-V288 HydrophobicContact CD-CG2 3.91Å; K281-V288 HydrophobicContact CG-CG2 3.82Å |
| 282 | V | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 96.3 | 169.3 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | L211 Y238 P245 V247 K284 L285 D286 I287 | L211-V282 HydrophobicContact CD1-CG2 4.33Å; L211-V282 HydrophobicContact CD2-CG2 4.19Å; Y238-V282 HydrophobicContact CD2-CG2 4.48Å; Y238-V282 HydrophobicContact CE2-CG2 3.84Å; Y238-V282 WeakPolarHBondContact OH-CG1 3.35Å; P245-V282 HydrophobicContact CB-CG1 3.92Å; V247-V282 HydrophobicContact CG1-CG2 4.48Å; V247-V282 HydrophobicContact CG2-CG2 4.02Å; V282-K284 VanDerWaalsContact C-N 3.31Å; V282-K284 PolarHBondContact O-N 3.48Å; V282-L285 HydrophobicContact CB-CB 4.41Å; V282-L285 HydrophobicContact CG1-CB 4.02Å; V282-L285 HydrophobicContact CG1-CD1 3.91Å; V282-L285 HydrophobicContact CG1-CG 3.83Å; V282-L285 PolarHBondContact O-N 2.78Å; V282-L285 VanDerWaalsContact O-N 3.17Å; V282-D286 PolarHBondContact O-N 3.47Å; V282-D286 VanDerWaalsContact O-N 3.07Å; V282-I287 PolarHBondContact N-O 2.91Å; V282-I287 PolarHBondContact O-N 2.8Å |
| 283 | P | 92.3 | Very high | 94 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 41% | 0.409 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -59.1 | -38.8 | -169.4 | -25.6 | 34.8 | 0 | 0 | 0 | 113.9 | K281 L285 D286 | K281-P283 HydrophobicContact CG-CG 4.41Å; K281-P283 WeakPolarHBondContact O-CD 3.1Å; P283-L285 VanDerWaalsContact C-N 3.27Å; P283-L285 PolarHBondContact O-N 3.41Å; P283-D286 PolarHBondContact O-N 2.79Å |
| 284 | K | 91.9 | Very high | 94 | Very high | 180 Ų | 180 | 53.1 Ų | 53.1 | 78% | 0.783 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -67.4 | -26.5 | -177.5 | -166.6 | 177.4 | 179.7 | -176.3 | 0 | 113.3 | P245 V282 | P245-K284 HydrophobicContact CB-CB 3.97Å; P245-K284 HydrophobicContact CB-CD 4.19Å; P245-K284 HydrophobicContact CG-CB 4.26Å; P245-K284 HydrophobicContact CG-CD 3.93Å; V282-K284 VanDerWaalsContact C-N 3.31Å; V282-K284 PolarHBondContact O-N 3.48Å |
| 285 | L | 89.1 | Confident | 94 | Very high | 80 Ų | 80 | 56 Ų | 56 | 42% | 0.419 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -102.8 | -4 | -179.7 | -57 | -178.6 | 0 | 0 | 0 | 112.4 | V210 P245 V282 P283 I287 | V210-L285 HydrophobicContact CG1-CD1 4.07Å; P245-L285 HydrophobicContact CG-CG 4.41Å; V282-L285 HydrophobicContact CB-CB 4.41Å; V282-L285 HydrophobicContact CG1-CB 4.02Å; V282-L285 HydrophobicContact CG1-CD1 3.91Å; V282-L285 HydrophobicContact CG1-CG 3.83Å; V282-L285 PolarHBondContact O-N 2.78Å; V282-L285 VanDerWaalsContact O-N 3.17Å; P283-L285 VanDerWaalsContact C-N 3.27Å; P283-L285 PolarHBondContact O-N 3.41Å; L285-I287 HydrophobicContact CB-CD1 3.8Å; L285-I287 HydrophobicContact CB-CG1 3.84Å; L285-I287 HydrophobicContact CD1-CD1 4.06Å; L285-I287 WeakPolarHBondContact O-CG1 3.4Å; L285-I287 PolarHBondContact O-N 2.92Å |
| 286 | D | 91.6 | Very high | 93.9 | Very high | 125 Ų | 125 | 55.3 Ų | 55.3 | 67% | 0.668 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 31.5 | -171.1 | -157.2 | 33.3 | 0 | 0 | 0 | 114.6 | V282 P283 | V282-D286 PolarHBondContact O-N 3.47Å; V282-D286 VanDerWaalsContact O-N 3.07Å; P283-D286 PolarHBondContact O-N 2.79Å |
| 287 | I | 92.3 | Very high | 93.6 | Very high | 43 Ų | 43 | 57.6 Ų | 57.6 | 22% | 0.221 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 131.2 | 178.2 | -58.2 | 173.2 | 0 | 0 | 0 | 109.3 | V210 L211 K281 V282 L285 | V210-I287 HydrophobicContact CB-CD1 4.1Å; V210-I287 HydrophobicContact CG1-CD1 4.02Å; L211-I287 HydrophobicContact CB-CG2 3.9Å; L211-I287 HydrophobicContact CD2-CG2 3.94Å; K281-I287 CarbonylContact C-O 3.53Å; K281-I287 WeakPolarHBondContact CA-O 3.28Å; V282-I287 PolarHBondContact N-O 2.91Å; V282-I287 PolarHBondContact O-N 2.8Å; L285-I287 HydrophobicContact CB-CD1 3.8Å; L285-I287 HydrophobicContact CB-CG1 3.84Å; L285-I287 HydrophobicContact CD1-CD1 4.06Å; L285-I287 WeakPolarHBondContact O-CG1 3.4Å; L285-I287 PolarHBondContact O-N 2.92Å |
| 288 | V | 94.1 | Very high | 93.1 | Very high | 38 Ų | 38 | 66 Ų | 66 | 23% | 0.23 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 130.4 | 176.1 | -177.8 | 0 | 0 | 0 | 0 | 110 | R279 A280 K281 | R279-V288 HydrophobicContact CG-CG1 3.61Å; A280-V288 WeakPolarHBondContact O-CA 3.15Å; K281-V288 HydrophobicContact CB-CG2 4.16Å; K281-V288 HydrophobicContact CD-CG2 3.91Å; K281-V288 HydrophobicContact CG-CG2 3.82Å |
| 289 | R | 95.3 | Very high | 92.6 | Very high | 95 Ų | 95 | 68.1 Ų | 68.1 | 36% | 0.358 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 141.3 | 174.5 | -68.3 | -66.7 | -169.1 | -134 | 12.1 | 110.9 | E209 L211 P214 R279 A280 | E209-R289 IonicContact OE1-CZ 3.24Å; E209-R289 IonicContact OE1-NE 3.66Å; E209-R289 IonicContact OE1-NH2 2.62Å; E209-R289 PolarHBondContact OE1-NH2 2.99Å; L211-R289 HydrophobicContact CB-CG 4.45Å; L211-R289 HydrophobicContact CD2-CB 4.09Å; L211-R289 HydrophobicContact CD2-CG 3.96Å; L211-R289 HydrophobicContact CG-CG 4.21Å; P214-R289 HydrophobicContact CG-CB 4.31Å; R279-R289 CarbonylContact C-O 3.5Å; R279-R289 VanDerWaalsContact CA-O 3.32Å; R279-R289 WeakPolarHBondContact CA-O 3.43Å; A280-R289 PolarHBondContact N-O 3.32Å; A280-R289 PolarHBondContact O-N 3.29Å |
| 290 | W | 95.6 | Very high | 91.6 | Very high | 41 Ų | 41 | 72.1 Ų | 72.1 | 16% | 0.155 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 145.6 | -179.9 | -70.5 | 90.3 | 0 | 0 | 0 | 110.5 | Y252 R279 P306 | Y252-W290 HydrophobicContact CD1-CZ3 4.45Å; Y252-W290 HydrophobicContact CD2-CH2 4.23Å; Y252-W290 AromaticContact CD2-CZ3 3.58Å; Y252-W290 HydrophobicContact CD2-CZ3 3.58Å; Y252-W290 AromaticContact CE1-CH2 3.98Å; Y252-W290 HydrophobicContact CE1-CH2 3.98Å; Y252-W290 HydrophobicContact CE1-CZ3 4.26Å; Y252-W290 HydrophobicContact CE2-CE3 4.36Å; Y252-W290 AromaticContact CE2-CH2 3.64Å; Y252-W290 HydrophobicContact CE2-CH2 3.64Å; Y252-W290 AromaticContact CE2-CZ3 3.36Å; Y252-W290 HydrophobicContact CE2-CZ3 3.36Å; Y252-W290 HydrophobicContact CG-CZ3 4.15Å; Y252-W290 AromaticContact CZ-CH2 3.51Å; Y252-W290 AromaticContact CZ-CZ3 3.74Å; R279-W290 HydrophobicContact CB-CD2 3.89Å; R279-W290 HydrophobicContact CB-CE3 3.73Å; R279-W290 HydrophobicContact CB-CH2 4.33Å; R279-W290 HydrophobicContact CB-CZ2 4.48Å; R279-W290 HydrophobicContact CB-CZ3 3.95Å; R279-W290 VanDerWaalsContact CD-CE2 3.43Å; R279-W290 HydrophobicContact CG-CD2 3.93Å; R279-W290 HydrophobicContact CG-CE3 4.29Å; R279-W290 HydrophobicContact CG-CG 4.37Å; R279-W290 HydrophobicContact CG-CZ2 4.26Å; W290-P306 HydrophobicContact CD2-CB 4.09Å; W290-P306 HydrophobicContact CE3-CB 3.91Å; W290-P306 HydrophobicContact CE3-CG 4.44Å; W290-P306 HydrophobicContact CH2-CB 4.39Å; W290-P306 HydrophobicContact CZ3-CB 4.08Å |
| 291 | S | 96 | Very high | 90.4 | Very high | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.014 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 157.9 | 169.8 | 78.5 | 0 | 0 | 0 | 0 | 109.9 | P214 C278 | P214-S291 WeakPolarHBondContact O-CA 3.25Å; P214-S291 WeakPolarHBondContact O-CB 3.43Å; C278-S291 PolarHBondContact N-OG 2.79Å; C278-S291 PolarHBondContact O-N 2.84Å |
| 292 | E | 93.1 | Very high | 89.4 | Confident | 124 Ų | 124 | 77 Ų | 77 | 58% | 0.579 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 146.1 | 160.7 | -67 | -55.7 | 147.2 | 0 | 0 | 110 | K213 | K213-E292 WeakPolarHBondContact CE-OE1 3.13Å; K213-E292 IonicContact NZ-OE1 3.62Å; K213-E292 PolarHBondContact NZ-OE1 2.8Å |
| 293 | P | 93.3 | Very high | 88.4 | Confident | 26 Ų | 26 | 79.2 Ų | 79.2 | 17% | 0.169 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 137.8 | 173.8 | -21.4 | 34.4 | 0 | 0 | 0 | 111.8 | W275 Y276 P303 | W275-P293 HydrophobicContact CE3-CB 4.09Å; Y276-P293 CarbonylContact O-C 3.5Å; Y276-P293 VanDerWaalsContact O-CA 3.29Å; Y276-P293 WeakPolarHBondContact O-CA 3.37Å; P293-P303 HydrophobicContact CB-CB 3.72Å; P293-P303 HydrophobicContact CG-CB 3.88Å |
| 294 | R | 93.8 | Very high | 87.2 | Confident | 124 Ų | 124 | 81.4 Ų | 81.4 | 47% | 0.468 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 129.1 | 175.5 | -161.3 | 172.6 | -177.1 | -161.6 | -2.8 | 109.9 | L216 I218 Y276 | L216-R294 HydrophobicContact CD2-CB 4.25Å; L216-R294 VanDerWaalsContact O-CD 3.25Å; L216-R294 WeakPolarHBondContact O-CD 3.38Å; L216-R294 PolarHBondContact O-NH1 3.47Å; I218-R294 HydrophobicContact CD1-CB 4.23Å; I218-R294 HydrophobicContact CD1-CG 4.27Å; Y276-R294 PolarHBondContact N-O 3.24Å; Y276-R294 PolarHBondContact O-N 2.79Å |
| 295 | S | 92.9 | Very high | 85.6 | Confident | 61 Ų | 61 | 80.2 Ų | 80.2 | 43% | 0.427 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 143.1 | 178.1 | 52.6 | 0 | 0 | 0 | 0 | 111.6 | G274 | G274-S295 WeakPolarHBondContact O-CA 3.37Å |
| 296 | F | 91.9 | Very high | 84.2 | Confident | 39 Ų | 39 | 77.8 Ų | 77.8 | 17% | 0.171 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 136.8 | 164.3 | 175.8 | -96.6 | 0 | 0 | 0 | 109.2 | I218 K220 M230 K271 A272 S273 G274 Y276 | I218-F296 HydrophobicContact CD1-CB 3.88Å; I218-F296 HydrophobicContact CG2-CD2 3.9Å; I218-F296 HydrophobicContact CG2-CG 4.4Å; K220-F296 HydrophobicContact CB-CE2 3.83Å; K220-F296 HydrophobicContact CD-CE2 4.11Å; M230-F296 HydrophobicContact CE-CD1 4.14Å; M230-F296 HydrophobicContact CE-CG 4.42Å; M230-F296 HydrophobicContact SD-CD1 3.88Å; M230-F296 HydrophobicContact SD-CD2 4.08Å; M230-F296 HydrophobicContact SD-CE1 3.85Å; M230-F296 HydrophobicContact SD-CE2 4.06Å; M230-F296 HydrophobicContact SD-CG 3.99Å; M230-F296 HydrophobicContact SD-CZ 3.94Å; K271-F296 HydrophobicContact CB-CE1 4.08Å; K271-F296 HydrophobicContact CB-CZ 4.22Å; K271-F296 HydrophobicContact CD-CZ 4.48Å; K271-F296 HydrophobicContact CG-CE1 4.44Å; K271-F296 HydrophobicContact CG-CZ 4.13Å; A272-F296 WeakPolarHBondContact O-CD1 3.35Å; S273-F296 CarbonylContact C-O 3.56Å; S273-F296 WeakPolarHBondContact CA-O 3.33Å; G274-F296 PolarHBondContact N-O 2.94Å; G274-F296 PolarHBondContact O-N 2.93Å; Y276-F296 HydrophobicContact CD2-CB 4.06Å; Y276-F296 HydrophobicContact CE2-CB 3.96Å |
| 297 | G | 88.2 | Confident | 82.5 | Confident | 51 Ų | 51 | 76.3 Ų | 76.3 | 53% | 0.526 | 43% | 0.426 | S | S | . | . | S | Bend | trans | 70 | -164.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V299 | G297-V299 WeakPolarHBondContact O-CG2 3.23Š|
| 298 | E | 85 | Confident | 80.8 | Confident | 178 Ų | 178 | 84.6 Ų | 84.6 | 83% | 0.832 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -79.9 | 123.7 | 175.9 | -164.1 | 171 | -163.2 | 0 | 0 | 110 | S273 | S273-E298 WeakPolarHBondContact CB-O 3.48Š|
| 299 | V | 85.3 | Confident | 78.6 | Confident | 45 Ų | 45 | 86.5 Ų | 86.5 | 27% | 0.273 | 47% | 0.468 | S | S | . | . | trans | -134.7 | 127.3 | -174.7 | -146.1 | 0 | 0 | 0 | 0 | 109.1 | W275 G297 | W275-V299 HydrophobicContact CG-CG1 4.31Å; G297-V299 WeakPolarHBondContact O-CG2 3.23Å | ||
| 300 | T | 75.4 | Confident | 75.9 | Confident | 138 Ų | 138 | 91.1 Ų | 91.1 | 85% | 0.847 | 49% | 0.493 | S | S | * | . | trans | -97.9 | 129.4 | 178.7 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 301 | G | 71.3 | Confident | 73.5 | Confident | 50 Ų | 50 | 97.3 Ų | 97.3 | 52% | 0.515 | 52% | 0.524 | S | S | . | . | S | Bend | trans | 88.6 | 162 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | W275 | W275-G301 WeakPolarHBondContact CZ2-O 3.37Å; W275-G301 PolarHBondContact NE1-O 2.87Å |
| 302 | P | 73.9 | Confident | 70.6 | Confident | 115 Ų | 115 | 108.8 Ų | 108.8 | 75% | 0.747 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -65.1 | 155.3 | -179.9 | 27.4 | -33.6 | 0 | 0 | 0 | 111.5 | L304 | P302-L304 PolarHBondContact O-N 2.84Š|
| 303 | P | 73.8 | Confident | 67.7 | Low | 46 Ų | 46 | 110.2 Ų | 110.2 | 30% | 0.299 | 58% | 0.578 | S | S | . | * | trans | -58.5 | 135.1 | 176.6 | 22.9 | -31.1 | 0 | 0 | 0 | 110.5 | W275 P293 M305 | W275-P303 HydrophobicContact CD2-CB 3.68Å; W275-P303 HydrophobicContact CE3-CB 3.76Å; W275-P303 HydrophobicContact CE3-CG 4.37Å; W275-P303 HydrophobicContact CG-CB 4.09Å; W275-P303 HydrophobicContact CH2-CB 4.44Å; W275-P303 HydrophobicContact CH2-CG 4.33Å; W275-P303 HydrophobicContact CZ2-CB 4.38Å; W275-P303 HydrophobicContact CZ3-CB 4.13Å; W275-P303 HydrophobicContact CZ3-CG 4.25Å; P293-P303 HydrophobicContact CB-CB 3.72Å; P293-P303 HydrophobicContact CG-CB 3.88Å; P303-M305 PolarHBondContact O-N 3.13Å | ||
| 304 | L | 67.3 | Low | 64.9 | Low | 108 Ų | 108 | 118 Ų | 118 | 57% | 0.565 | 61% | 0.613 | S | S | * | * | trans | -63.2 | 112 | 167.3 | -67.6 | 170.8 | 0 | 0 | 0 | 107.4 | N255 P302 | N255-L304 WeakPolarHBondContact ND2-CB 3.48Å; N255-L304 PolarHBondContact ND2-O 3.22Å; N255-L304 PolarHBondContact OD1-O 3.05Å; P302-L304 PolarHBondContact O-N 2.84Å | ||
| 305 | M | 58.8 | Low | 61.8 | Low | 156 Ų | 156 | 121 Ų | 121 | 77% | 0.768 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 134.5 | 179.3 | -75.3 | -175 | 176.7 | 0 | 0 | 109.5 | N255 P303 | N255-M305 PolarHBondContact ND2-O 3.13Å; N255-M305 VanDerWaalsContact ND2-O 3.09Å; P303-M305 PolarHBondContact O-N 3.13Å |
| 306 | P | 59.1 | Low | 58.8 | Low | 29 Ų | 29 | 124.5 Ų | 124.5 | 19% | 0.188 | 65% | 0.653 | C | S | . | * | P | Polyproline II helix | trans | -61.3 | 147.8 | 170.2 | 23.6 | -29.4 | 0 | 0 | 0 | 109.1 | W290 R308 | W290-P306 HydrophobicContact CD2-CB 4.09Å; W290-P306 HydrophobicContact CE3-CB 3.91Å; W290-P306 HydrophobicContact CE3-CG 4.44Å; W290-P306 HydrophobicContact CH2-CB 4.39Å; W290-P306 HydrophobicContact CZ3-CB 4.08Å; P306-R308 PolarHBondContact O-N 3.04Å; P306-R308 VanDerWaalsContact O-N 3.16Å |
| 307 | P | 56.8 | Low | 55.9 | Low | 93 Ų | 93 | 127.5 Ų | 127.5 | 60% | 0.604 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 125.1 | 176.5 | 20.6 | -29.5 | 0 | 0 | 0 | 109.3 | ||
| 308 | R | 55.4 | Low | 53.3 | Low | 217 Ų | 217 | 136.7 Ų | 136.7 | 82% | 0.819 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -55 | 134.7 | 173.7 | -70.5 | -174 | -170.3 | -159.8 | 2.5 | 107.6 | P306 H310 | P306-R308 PolarHBondContact O-N 3.04Å; P306-R308 VanDerWaalsContact O-N 3.16Å; R308-H310 PolarHBondContact O-N 3.05Å |
| 309 | P | 49 | Very low | 50.8 | Low | 79 Ų | 79 | 132.6 Ų | 132.6 | 51% | 0.513 | 69% | 0.689 | S | S | . | * | P | Polyproline II helix | trans | -54.5 | 120.1 | 172.6 | -19.9 | 29.9 | 0 | 0 | 0 | 108.5 | H311 | P309-H311 VanDerWaalsContact C-N 3.34Å; P309-H311 PolarHBondContact O-N 3.22Å |
| 310 | H | 38.4 | Very low | 48.4 | Very low | 191 Ų | 191 | 135.3 Ų | 135.3 | 88% | 0.884 | 71% | 0.707 | S | S | * | * | trans | -64.2 | 101 | 166.6 | -85 | -73.2 | 0 | 0 | 0 | 106.9 | R308 R312 | R308-H310 PolarHBondContact O-N 3.05Å; H310-R312 PolarHBondContact O-N 3.12Å | ||
| 311 | H | 44.5 | Very low | 46.3 | Very low | 171 Ų | 171 | 134.9 Ų | 134.9 | 79% | 0.792 | 70% | 0.704 | S | S | * | * | trans | -59.6 | 106 | 161.3 | -94.9 | -78.9 | 0 | 0 | 0 | 106.8 | P309 N313 | P309-H311 VanDerWaalsContact C-N 3.34Å; P309-H311 PolarHBondContact O-N 3.22Å; H311-N313 PolarHBondContact O-N 2.88Å | ||
| 312 | R | 35.2 | Very low | 44.4 | Very low | 243 Ų | 243 | 139.8 Ų | 139.8 | 92% | 0.917 | 71% | 0.713 | S | S | * | * | trans | -65.1 | 108.4 | 166.8 | -171.2 | 170.3 | -175.6 | 172.2 | 0.3 | 106.2 | H310 Q314 | H310-R312 PolarHBondContact O-N 3.12Å; R312-Q314 PolarHBondContact O-N 3.02Å | ||
| 313 | N | 33.3 | Very low | 42.4 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 82% | 0.824 | 71% | 0.711 | S | S | * | * | trans | -15.6 | 107.6 | 179.5 | -65.8 | -18.9 | 0 | 0 | 0 | 114.7 | H311 | H311-N313 PolarHBondContact O-N 2.88Š| ||
| 314 | Q | 34.2 | Very low | 40.4 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 89% | 0.893 | 74% | 0.737 | S | S | * | * | trans | -84.4 | 127.4 | 147.7 | -87.3 | -174.7 | 1 | 0 | 0 | 107.6 | R312 T316 | R312-Q314 PolarHBondContact O-N 3.02Å; Q314-T316 PolarHBondContact O-N 2.96Å | ||
| 315 | M | 27.9 | Very low | 38.7 | Very low | 185 Ų | 185 | 146.3 Ų | 146.3 | 91% | 0.911 | 74% | 0.744 | S | S | * | * | trans | -44.8 | 124.4 | -177.3 | -147 | 143.9 | -178.5 | 0 | 0 | 111.5 | S317 | M315-S317 VanDerWaalsContact C-N 3.32Å; M315-S317 PolarHBondContact O-N 3.02Å | ||
| 316 | T | 30.9 | Very low | 37.5 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 83% | 0.828 | 74% | 0.744 | S | S | * | * | trans | -61.6 | 93.8 | 164.8 | 46.1 | 0 | 0 | 0 | 0 | 108.8 | Q314 R318 | Q314-T316 PolarHBondContact O-N 2.96Å; T316-R318 PolarHBondContact O-N 3.5Å | ||
| 317 | S | 30.9 | Very low | 36.2 | Very low | 102 Ų | 102 | 147.3 Ų | 147.3 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -73.8 | 100.8 | 154.6 | 176.6 | 0 | 0 | 0 | 0 | 106.9 | M315 S319 | M315-S317 VanDerWaalsContact C-N 3.32Å; M315-S317 PolarHBondContact O-N 3.02Å; S317-S319 PolarHBondContact O-N 2.77Å; S317-S319 VanDerWaalsContact O-N 3.11Å | ||
| 318 | R | 32.5 | Very low | 35 | Very low | 244 Ų | 244 | 152.2 Ų | 152.2 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -71.1 | 96.3 | 171.2 | -136.7 | 180 | -171.1 | -176.9 | 1.8 | 106.8 | T316 | T316-R318 PolarHBondContact O-N 3.5Š| ||
| 319 | S | 32.7 | Very low | 34 | Very low | 93 Ų | 93 | 148 Ų | 148 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | trans | -78.2 | 143 | 164.1 | -61.3 | 0 | 0 | 0 | 0 | 109.1 | S317 | S317-S319 PolarHBondContact O-N 2.77Å; S317-S319 VanDerWaalsContact O-N 3.11Å | ||
| 320 | P | 34.1 | Very low | 33.4 | Very low | 101 Ų | 101 | 152.6 Ų | 152.6 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | trans | -65.9 | 143.1 | -172.5 | -14.3 | 28.1 | 0 | 0 | 0 | 111.6 | H322 | P320-H322 PolarHBondContact O-N 3.07Š| ||
| 321 | V | 32.3 | Very low | 33.1 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | trans | -63.1 | 105.3 | 165.8 | 176.7 | 0 | 0 | 0 | 0 | 107.5 | T323 | V321-T323 PolarHBondContact O-N 3.46Š| ||
| 322 | H | 32.3 | Very low | 32.5 | Very low | 153 Ų | 153 | 146.3 Ų | 146.3 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | trans | -81.5 | 97.2 | 162.6 | -80.4 | -71.4 | 0 | 0 | 0 | 108.1 | P320 F324 | P320-H322 PolarHBondContact O-N 3.07Å; H322-F324 HydrophobicContact CB-CD2 4.39Å; H322-F324 HydrophobicContact CB-CE2 4.43Å; H322-F324 PolarHBondContact O-N 2.99Å | ||
| 323 | T | 30.5 | Very low | 32.4 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -67 | 94.3 | 168.7 | -40.8 | 0 | 0 | 0 | 0 | 108.5 | V321 S325 | V321-T323 PolarHBondContact O-N 3.46Å; T323-S325 PolarHBondContact O-N 3.05Å | ||
| 324 | F | 32.3 | Very low | 32.4 | Very low | 190 Ų | 190 | 137.8 Ų | 137.8 | 83% | 0.833 | 79% | 0.785 | S | S | * | * | trans | -80.5 | 102.6 | 163.6 | -91.1 | -87 | 0 | 0 | 0 | 108.2 | H322 A326 | H322-F324 HydrophobicContact CB-CD2 4.39Å; H322-F324 HydrophobicContact CB-CE2 4.43Å; H322-F324 PolarHBondContact O-N 2.99Å; F324-A326 PolarHBondContact O-N 3.01Å | ||
| 325 | S | 31.2 | Very low | 32.2 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -71.2 | 115.7 | 164.8 | -56.7 | 0 | 0 | 0 | 0 | 107.5 | T323 | T323-S325 PolarHBondContact O-N 3.05Š| ||
| 326 | A | 33 | Very low | 32.4 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -67.2 | 131.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | F324 E328 | F324-A326 PolarHBondContact O-N 3.01Å; A326-E328 PolarHBondContact O-N 3.24Å | ||
| 327 | P | 31.9 | Very low | 32.4 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -76 | 118.2 | 164 | -3.3 | 20.6 | 0 | 0 | 0 | 108.5 | T329 | P327-T329 PolarHBondContact O-N 2.94Å; P327-T329 VanDerWaalsContact O-N 3.13Å; P327-T329 PolarHBondContact O-OG1 3.03Å | ||
| 328 | E | 32.7 | Very low | 32.4 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -56.4 | 110.8 | 168.5 | -162.6 | 166.3 | -160.3 | 0 | 0 | 109 | A326 | A326-E328 PolarHBondContact O-N 3.24Š| ||
| 329 | T | 33.6 | Very low | 32.4 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -120.3 | 117.6 | 174.9 | -36.8 | 0 | 0 | 0 | 0 | 108.8 | P327 | P327-T329 PolarHBondContact O-N 2.94Å; P327-T329 VanDerWaalsContact O-N 3.13Å; P327-T329 PolarHBondContact O-OG1 3.03Å | ||
| 330 | Q | 37.8 | Very low | 32.5 | Very low | 175 Ų | 175 | 136.7 Ų | 136.7 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -58.9 | 150.9 | -178.7 | -68.4 | -179.5 | -33.1 | 0 | 0 | 112.7 | A332 | Q330-A332 PolarHBondContact O-N 3.2Š| ||
| 331 | P | 30.7 | Very low | 32.4 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -74.4 | 110 | -179.7 | 28.5 | -31.6 | 0 | 0 | 0 | 111.2 | ||||
| 332 | A | 33.2 | Very low | 32.3 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -86.3 | 123.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q330 | Q330-A332 PolarHBondContact O-N 3.2Š| ||
| 333 | S | 32.2 | Very low | 32.2 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -66.4 | 139.1 | -178.5 | -29.4 | 0 | 0 | 0 | 0 | 112.1 | K335 | S333-K335 PolarHBondContact O-N 3.21Š| ||
| 334 | P | 33.6 | Very low | 32.2 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | trans | -76.8 | 113.2 | 172.9 | 27.5 | -29.3 | 0 | 0 | 0 | 110.9 | Y336 | P334-Y336 PolarHBondContact O-N 3.06Š| ||
| 335 | K | 30.7 | Very low | 32.1 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 82% | 0.817 | 81% | 0.805 | S | S | * | * | trans | -77.2 | 105.7 | 164.4 | -75.8 | -177.3 | 178.8 | 178.2 | 0 | 108.9 | S333 F337 | S333-K335 PolarHBondContact O-N 3.21Å; K335-F337 PolarHBondContact O-N 3.38Å | ||
| 336 | Y | 31.1 | Very low | 31.9 | Very low | 216 Ų | 216 | 147.9 Ų | 147.9 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | trans | -70.3 | 115.5 | 165.5 | -79.3 | -92.2 | 0 | 0 | 0 | 109.3 | P334 | P334-Y336 PolarHBondContact O-N 3.06Š| ||
| 337 | F | 31 | Very low | 31.7 | Very low | 193 Ų | 193 | 149.6 Ų | 149.6 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -90 | 110.2 | 160.3 | -91.2 | -87.5 | 0 | 0 | 0 | 108.2 | K335 | K335-F337 PolarHBondContact O-N 3.38Š| ||
| 338 | A | 30.4 | Very low | 31.5 | Very low | 93 Ų | 93 | 153.1 Ų | 153.1 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | -78.9 | 125.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 339 | S | 33.8 | Very low | 31.4 | Very low | 114 Ų | 114 | 148.9 Ų | 148.9 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -119.7 | 100.4 | 165 | 57.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 340 | T | 33.2 | Very low | 31.4 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -75.4 | 145.1 | 168.2 | -22.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 341 | P | 34 | Very low | 30.9 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -116.6 | 117.9 | 143.3 | 19.3 | -2.1 | 0 | 0 | 0 | 109.8 | ||||
| 342 | S | 30 | Very low | 31.5 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -71.3 | 127.8 | 164.3 | -60.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 343 | F | 30.2 | Very low | 31.3 | Very low | 206 Ų | 206 | 144.4 Ų | 144.4 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | trans | -143.6 | 128.3 | 155.1 | -144.5 | -99.2 | 0 | 0 | 0 | 110.7 | ||||
| 344 | N | 29.5 | Very low | 31.2 | Very low | 150 Ų | 150 | 148 Ų | 148 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -62.8 | 135.3 | -170 | -73.2 | -40.2 | 0 | 0 | 0 | 113.2 | ||||
| 345 | Q | 30.9 | Very low | 31.3 | Very low | 202 Ų | 202 | 147.3 Ų | 147.3 | 94% | 0.944 | 81% | 0.807 | S | S | * | * | trans | -78.7 | 125.1 | 158.4 | -82.2 | 176.4 | -29 | 0 | 0 | 109.3 | ||||
| 346 | R | 26.6 | Very low | 31.4 | Very low | 235 Ų | 235 | 144.4 Ų | 144.4 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -119.6 | 122.5 | 155.6 | -173.6 | 174.4 | -70.4 | -166.5 | -1.1 | 107.7 | ||||
| 347 | T | 29.3 | Very low | 31.4 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -65 | 132.7 | 175.1 | -23 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 348 | E | 26.7 | Very low | 32.6 | Very low | 187 Ų | 187 | 136.7 Ų | 136.7 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -164.7 | 123.5 | 147 | -115.1 | 166.7 | -178.6 | 0 | 0 | 109.8 | ||||
| 349 | S | 30.9 | Very low | 32.5 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -75.2 | 159.7 | 168.2 | -54.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 350 | P | 33.3 | Very low | 32.4 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | -148.7 | 156.4 | 97.2 | 36.4 | -18.4 | 0 | 0 | 0 | 115.6 | |||||
| 351 | S | 28.2 | Very low | 32.6 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -58.8 | 177.2 | 153.4 | 48.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 352 | P | 42 | Very low | 32.7 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | cis | -148 | -166.8 | 21.9 | 35.6 | -10 | 0 | 0 | 0 | 116.4 | ||||
| 353 | S | 29.2 | Very low | 32.7 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | 68.5 | 149.7 | 143.9 | 54.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 354 | E | 30.1 | Very low | 32.9 | Very low | 183 Ų | 183 | 137.1 Ų | 137.1 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | cis | -176.5 | 147.5 | -16.5 | -165.3 | 164.2 | -160.7 | 0 | 0 | 103.2 | ||||
| 355 | A | 36.6 | Very low | 33 | Very low | 96 Ų | 96 | 137.4 Ų | 137.4 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -75 | 158.7 | -180 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 356 | P | 33 | Very low | 33 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | -143.5 | 158.4 | 121.8 | 32.4 | -15.4 | 0 | 0 | 0 | 115.2 | |||||
| 357 | D | 30.2 | Very low | 33.5 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -98.6 | -173.5 | 171.2 | -153.8 | 14.4 | 0 | 0 | 0 | 109.9 | ||||
| 358 | P | 55.8 | Low | 34.2 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | -111.7 | -176.8 | -112.7 | 36.8 | -17.8 | 0 | 0 | 0 | 113.9 | |||||
| 359 | T | 29.9 | Very low | 34.5 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | 131.1 | 134 | 145.9 | -41.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 360 | S | 31.4 | Very low | 34.6 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | 104.4 | 135 | 153.2 | 76.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 361 | L | 36.4 | Very low | 34.5 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -64.7 | 169.1 | -167.1 | -71.7 | 114.6 | 0 | 0 | 0 | 115.3 | ||||
| 362 | P | 36.8 | Very low | 34.7 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | -139.1 | 139.1 | 110.9 | 32.5 | -16.8 | 0 | 0 | 0 | 116.4 | |||||
| 363 | T | 30.5 | Very low | 34.4 | Very low | 133 Ų | 133 | 138 Ų | 138 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | trans | 19.2 | 125.1 | 134.7 | -12.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 364 | S | 33.5 | Very low | 35.1 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 125.6 | 171.2 | 175 | 0 | 0 | 0 | 0 | 111.5 | ||
| 365 | D | 32.8 | Very low | 35.3 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 149.4 | 167.7 | -107.3 | -34.5 | 0 | 0 | 0 | 112.6 | ||
| 366 | R | 30.9 | Very low | 35.6 | Very low | 238 Ų | 238 | 138.9 Ų | 138.9 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 147 | -168.7 | -73.5 | 165.2 | 163.2 | 179.6 | -5 | 115.9 | ||
| 367 | L | 36.8 | Very low | 35.6 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 140.8 | 152.2 | -105.5 | 98.5 | 0 | 0 | 0 | 110.5 | ||
| 368 | P | 42.8 | Very low | 35.8 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 153.3 | 166.1 | 35.8 | -27 | 0 | 0 | 0 | 112.9 | ||
| 369 | G | 33.3 | Very low | 34.9 | Very low | 81 Ų | 81 | 139.3 Ų | 139.3 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | 128.5 | 84.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 370 | Q | 33.4 | Very low | 35.1 | Very low | 173 Ų | 173 | 138 Ų | 138 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -81.8 | 146.1 | 162.5 | -70.9 | -178.5 | -15 | 0 | 0 | 110.9 | ||||
| 371 | T | 30.8 | Very low | 35.3 | Very low | 152 Ų | 152 | 144 Ų | 144 | 93% | 0.933 | 81% | 0.811 | S | S | * | * | trans | -129.7 | 132 | 152.2 | -34.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 372 | Q | 33.6 | Very low | 35.3 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | -107.2 | 132.7 | -163.5 | -126.9 | 173.1 | 28.4 | 0 | 0 | 111.8 | ||||
| 373 | T | 34.8 | Very low | 35.4 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | 63.6 | 164.9 | 137.9 | 43.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 374 | P | 43 | Very low | 36.4 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | cis | -133.3 | 168.4 | 5.9 | 26.7 | -2.7 | 0 | 0 | 0 | 117.1 | ||||
| 375 | E | 35.6 | Very low | 36.5 | Very low | 170 Ų | 170 | 150.8 Ų | 150.8 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -67.1 | 160.2 | 162.8 | -150.4 | -178.7 | 165.5 | 0 | 0 | 111.5 | ||||
| 376 | P | 42 | Very low | 36.7 | Very low | 109 Ų | 109 | 150.6 Ų | 150.6 | 71% | 0.708 | 83% | 0.83 | S | S | * | * | -150.8 | 155.3 | 100.1 | 34.6 | -15.4 | 0 | 0 | 0 | 117.5 | |||||
| 377 | Q | 33.1 | Very low | 37 | Very low | 182 Ų | 182 | 145.7 Ų | 145.7 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | trans | 79.4 | 122.5 | 142.7 | -74.3 | 179.2 | -0.5 | 0 | 0 | 121 | ||||
| 378 | G | 34 | Very low | 37 | Very low | 74 Ų | 74 | 144.3 Ų | 144.3 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | trans | -82.7 | 171.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 379 | V | 38 | Very low | 36.7 | Very low | 128 Ų | 128 | 145.4 Ų | 145.4 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -142.7 | 130.9 | 165.1 | -178 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 380 | S | 32.9 | Very low | 36.9 | Very low | 103 Ų | 103 | 149.7 Ų | 149.7 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | trans | -88.5 | 138.5 | 171.5 | 148.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 381 | W | 37.1 | Very low | 37.2 | Very low | 240 Ų | 240 | 148 Ų | 148 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | -149.2 | 130.4 | 149.8 | -65.1 | 101 | 0 | 0 | 0 | 105.5 | ||||
| 382 | G | 35.1 | Very low | 37.6 | Very low | 67 Ų | 67 | 147.7 Ų | 147.7 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | cis | 111.5 | 94.8 | 33.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 383 | L | 40.3 | Very low | 38 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 89% | 0.885 | 82% | 0.824 | S | S | * | * | trans | -58.6 | 131.8 | 171.5 | -76.6 | 156.1 | 0 | 0 | 0 | 110.8 | ||||
| 384 | F | 50.1 | Low | 38.3 | Very low | 287 Ų | 287 | 149.9 Ų | 149.9 | 100% | 1.259 | 83% | 0.83 | S | S | * | * | trans | -158.7 | 0 | 138.2 | -94.5 | -70.4 | 0 | 0 | 0 | 109.6 |
Retrieved 384 of 384 residues in 554 ms
(Link to these results)