| 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 | 37.6 | Very low | 34.8 | Very low | 229 Ų | 229 | 155.4 Ų | 155.4 | 100% | 1.128 | 81% | 0.808 | S | S | * | * | 0 | 131.2 | 0 | -118.4 | 172 | 171.7 | 0 | 0 | 107.4 | F3 | M1-F3 PolarHBondContact O-N 3.49Š| |||
| 2 | L | 35.1 | Very low | 34.6 | Very low | 178 Ų | 178 | 156.3 Ų | 156.3 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | trans | -48.7 | 122.8 | -162.3 | -70.6 | 94 | 0 | 0 | 0 | 114.2 | ||||
| 3 | F | 37.5 | Very low | 34.3 | Very low | 201 Ų | 201 | 157.6 Ų | 157.6 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | trans | -104.9 | 111.7 | 161 | -90.1 | -84.7 | 0 | 0 | 0 | 108.9 | M1 V5 | M1-F3 PolarHBondContact O-N 3.49Å; F3-V5 PolarHBondContact O-N 2.96Å | ||
| 4 | S | 37.7 | Very low | 34.1 | Very low | 113 Ų | 113 | 152.6 Ų | 152.6 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -63.2 | 123.2 | 178 | -171.3 | 0 | 0 | 0 | 0 | 110.6 | Q6 | S4-Q6 PolarHBondContact O-N 3.21Š| ||
| 5 | V | 37.2 | Very low | 33.7 | Very low | 121 Ų | 121 | 150.3 Ų | 150.3 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | trans | -81.2 | 98.7 | 175.4 | 175.9 | 0 | 0 | 0 | 0 | 108 | F3 L7 | F3-V5 PolarHBondContact O-N 2.96Å; V5-L7 HydrophobicContact CG1-CD1 3.88Å; V5-L7 PolarHBondContact O-N 3.37Å | ||
| 6 | Q | 38.8 | Very low | 33.4 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | -84.6 | 99.2 | 165.6 | -85.1 | -176.3 | -28.5 | 0 | 0 | 109.4 | S4 F8 | S4-Q6 PolarHBondContact O-N 3.21Å; Q6-F8 PolarHBondContact O-N 2.94Å; Q6-F8 VanDerWaalsContact O-N 3.13Å | ||
| 7 | L | 32.6 | Very low | 33 | Very low | 144 Ų | 144 | 148.6 Ų | 148.6 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | -66.7 | 99.6 | 168 | -122.8 | 92.9 | 0 | 0 | 0 | 108.9 | V5 V9 | V5-L7 HydrophobicContact CG1-CD1 3.88Å; V5-L7 PolarHBondContact O-N 3.37Å; L7-V9 HydrophobicContact CD2-CG2 4.25Å; L7-V9 PolarHBondContact O-N 3.35Å | ||
| 8 | F | 35 | Very low | 32.7 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | trans | -78.1 | 94.6 | 164.5 | -94.7 | -89.4 | 0 | 0 | 0 | 108.9 | Q6 F10 | Q6-F8 PolarHBondContact O-N 2.94Å; Q6-F8 VanDerWaalsContact O-N 3.13Å; F8-F10 HydrophobicContact CB-CD2 4.35Å; F8-F10 HydrophobicContact CB-CE2 4.42Å; F8-F10 PolarHBondContact O-N 3.45Å; F8-F10 VanDerWaalsContact O-N 3.08Å | ||
| 9 | V | 32.2 | Very low | 32.4 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | trans | -72.7 | 93.5 | 166.7 | 178.1 | 0 | 0 | 0 | 0 | 107.6 | L7 C11 | L7-V9 HydrophobicContact CD2-CG2 4.25Å; L7-V9 PolarHBondContact O-N 3.35Å; V9-C11 PolarHBondContact O-N 3.38Å | ||
| 10 | F | 30.9 | Very low | 32 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 77% | 0.768 | 76% | 0.761 | S | S | * | * | trans | -68.7 | 107.7 | 168 | -95.3 | -90.8 | 0 | 0 | 0 | 109 | F8 L12 | F8-F10 HydrophobicContact CB-CD2 4.35Å; F8-F10 HydrophobicContact CB-CE2 4.42Å; F8-F10 PolarHBondContact O-N 3.45Å; F8-F10 VanDerWaalsContact O-N 3.08Å; F10-L12 PolarHBondContact O-N 2.85Å | ||
| 11 | C | 28.3 | Very low | 31.8 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | trans | -62.5 | 100.2 | 165.1 | -81.2 | 0 | 0 | 0 | 0 | 109.2 | V9 L13 | V9-C11 PolarHBondContact O-N 3.38Å; C11-L13 PolarHBondContact O-N 3.4Å; C11-L13 VanDerWaalsContact O-N 3.11Å | ||
| 12 | L | 32.3 | Very low | 31.1 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | trans | -67.1 | 101.8 | 162.7 | -79.9 | 158 | 0 | 0 | 0 | 108.1 | F10 A14 | F10-L12 PolarHBondContact O-N 2.85Å; L12-A14 PolarHBondContact O-N 2.89Å | ||
| 13 | L | 31.2 | Very low | 30.8 | Very low | 173 Ų | 173 | 131.4 Ų | 131.4 | 91% | 0.906 | 71% | 0.708 | S | S | * | * | trans | -64.6 | 89.4 | 162.8 | -76.1 | 161.9 | 0 | 0 | 0 | 107.9 | C11 S15 | C11-L13 PolarHBondContact O-N 3.4Å; C11-L13 VanDerWaalsContact O-N 3.11Å; L13-S15 PolarHBondContact O-N 2.79Å; L13-S15 VanDerWaalsContact O-N 3.12Å | ||
| 14 | A | 30.9 | Very low | 30.2 | Very low | 88 Ų | 88 | 130.1 Ų | 130.1 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | -65.2 | 107.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | L12 S16 | L12-A14 PolarHBondContact O-N 2.89Å; A14-S16 VanDerWaalsContact C-N 3.26Å; A14-S16 PolarHBondContact O-N 2.72Å | ||
| 15 | S | 29 | Very low | 30 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | trans | -62.9 | 90.9 | 164 | 58.3 | 0 | 0 | 0 | 0 | 108.2 | L13 R17 | L13-S15 PolarHBondContact O-N 2.79Å; L13-S15 VanDerWaalsContact O-N 3.12Å; S15-R17 PolarHBondContact O-N 2.76Å; S15-R17 VanDerWaalsContact O-N 3.12Å | ||
| 16 | S | 28 | Very low | 29.4 | Very low | 86 Ų | 86 | 127.1 Ų | 127.1 | 60% | 0.601 | 68% | 0.675 | S | S | * | * | trans | -72.1 | 103.6 | 177 | 46.6 | 0 | 0 | 0 | 0 | 108.8 | A14 | A14-S16 VanDerWaalsContact C-N 3.26Å; A14-S16 PolarHBondContact O-N 2.72Å | ||
| 17 | R | 26.3 | Very low | 28.9 | Very low | 187 Ų | 187 | 126.1 Ų | 126.1 | 71% | 0.706 | 67% | 0.674 | S | S | * | * | trans | -62.2 | 137.3 | 158.9 | -72.4 | -175.4 | 176.6 | -170.7 | -2.1 | 107.8 | S15 T19 | S15-R17 PolarHBondContact O-N 2.76Å; S15-R17 VanDerWaalsContact O-N 3.12Å; R17-T19 PolarHBondContact O-N 2.86Å; R17-T19 VanDerWaalsContact O-N 3.15Å | ||
| 18 | P | 29 | Very low | 28.6 | Very low | 48 Ų | 48 | 123.2 Ų | 123.2 | 31% | 0.312 | 67% | 0.667 | S | S | . | * | trans | -63.2 | 120 | -179.8 | 22.4 | -29.6 | 0 | 0 | 0 | 110 | I20 I262 | P18-I20 PolarHBondContact O-N 2.85Å; P18-I262 HydrophobicContact CB-CD1 4Å; P18-I262 HydrophobicContact CB-CG1 4.45Å; P18-I262 HydrophobicContact CG-CG1 4.48Å | ||
| 19 | T | 25.8 | Very low | 28.3 | Very low | 110 Ų | 110 | 119.6 Ų | 119.6 | 68% | 0.675 | 68% | 0.675 | S | S | * | * | trans | -70.7 | 112.9 | 175.2 | -21 | 0 | 0 | 0 | 0 | 108.4 | R17 A21 | R17-T19 PolarHBondContact O-N 2.86Å; R17-T19 VanDerWaalsContact O-N 3.15Å; T19-A21 VanDerWaalsContact C-N 3.26Å; T19-A21 PolarHBondContact O-N 2.9Å | ||
| 20 | I | 25.8 | Very low | 28.3 | Very low | 138 Ų | 138 | 119.5 Ų | 119.5 | 71% | 0.708 | 67% | 0.67 | S | S | * | * | trans | -70.3 | 89.5 | 166.5 | -59.8 | 172.7 | 0 | 0 | 0 | 106.7 | P18 R22 | P18-I20 PolarHBondContact O-N 2.85Å; I20-R22 PolarHBondContact O-N 3.06Å | ||
| 21 | A | 26.1 | Very low | 29 | Very low | 46 Ų | 46 | 114 Ų | 114 | 38% | 0.38 | 65% | 0.654 | S | S | . | * | trans | -74.2 | 105 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | T19 S23 | T19-A21 VanDerWaalsContact C-N 3.26Å; T19-A21 PolarHBondContact O-N 2.9Å; A21-S23 PolarHBondContact O-N 2.88Å | ||
| 22 | R | 23.7 | Very low | 30.5 | Very low | 235 Ų | 235 | 115.7 Ų | 115.7 | 89% | 0.887 | 66% | 0.655 | S | S | * | * | trans | -73 | 77.3 | 161.5 | -76.2 | -177.5 | 176.8 | 170.4 | -1.5 | 108.2 | I20 K24 | I20-R22 PolarHBondContact O-N 3.06Å; R22-K24 PolarHBondContact O-N 3.46Å | ||
| 23 | S | 28 | Very low | 32.5 | Very low | 62 Ų | 62 | 111 Ų | 111 | 43% | 0.434 | 63% | 0.628 | S | S | . | * | trans | -76.6 | 111.4 | 166.6 | 166.4 | 0 | 0 | 0 | 0 | 107.7 | A21 V25 | A21-S23 PolarHBondContact O-N 2.88Å; S23-V25 PolarHBondContact O-N 3.19Å | ||
| 24 | K | 25.9 | Very low | 35 | Very low | 175 Ų | 175 | 104.5 Ų | 104.5 | 76% | 0.761 | 59% | 0.594 | S | S | * | * | trans | -78.9 | 107.1 | 162.8 | -158.6 | -178.7 | -176.4 | -169.9 | 0 | 105.2 | R22 D26 | R22-K24 PolarHBondContact O-N 3.46Å; K24-D26 VanDerWaalsContact C-N 3.3Å; K24-D26 PolarHBondContact O-N 2.84Å | ||
| 25 | V | 33.1 | Very low | 37.5 | Very low | 62 Ų | 62 | 102.9 Ų | 102.9 | 38% | 0.376 | 58% | 0.575 | S | S | . | * | trans | -76.1 | 88.6 | 177.7 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | S23 R53 | S23-V25 PolarHBondContact O-N 3.19Å; V25-R53 PolarHBondContact O-NH1 2.85Å | ||
| 26 | D | 25.1 | Very low | 40.1 | Very low | 109 Ų | 109 | 97.4 Ų | 97.4 | 58% | 0.583 | 54% | 0.537 | S | S | * | . | trans | -74.5 | 139.8 | 170.6 | -79.2 | -29.1 | 0 | 0 | 0 | 109.8 | K24 S28 | K24-D26 VanDerWaalsContact C-N 3.3Å; K24-D26 PolarHBondContact O-N 2.84Å; D26-S28 PolarHBondContact O-N 3.44Å | ||
| 27 | N | 28.5 | Very low | 42.9 | Very low | 137 Ų | 137 | 98 Ų | 98 | 73% | 0.733 | 53% | 0.53 | S | S | * | . | trans | -79.8 | 41.6 | -173.6 | -124.9 | 22.6 | 0 | 0 | 0 | 111.8 | R53 | N27-R53 PolarHBondContact OD1-NH1 2.85Š| ||
| 28 | S | 25.6 | Very low | 45.6 | Very low | 84 Ų | 84 | 93 Ų | 93 | 59% | 0.587 | 52% | 0.517 | S | S | * | . | trans | -87.8 | 130.5 | 169.3 | 53.3 | 0 | 0 | 0 | 0 | 108.8 | D26 D30 | D26-S28 PolarHBondContact O-N 3.44Å; S28-D30 PolarHBondContact O-N 2.88Å | ||
| 29 | G | 28.3 | Very low | 48.2 | Very low | 86 Ų | 86 | 92.6 Ų | 92.6 | 89% | 0.887 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -63.9 | 26.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 30 | D | 32.4 | Very low | 51.2 | Low | 112 Ų | 112 | 88.2 Ų | 88.2 | 60% | 0.599 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -90.3 | 114.4 | 164.4 | -126.8 | -9.3 | 0 | 0 | 0 | 107.5 | S28 D32 | S28-D30 PolarHBondContact O-N 2.88Å; D30-D32 PolarHBondContact O-N 3.45Å |
| 31 | S | 46.1 | Very low | 54.3 | Low | 61 Ų | 61 | 83.8 Ų | 83.8 | 43% | 0.427 | 46% | 0.464 | S | S | . | . | trans | -71 | 78.2 | -177 | 54.7 | 0 | 0 | 0 | 0 | 110.3 | F33 | S31-F33 VanDerWaalsContact O-CD2 3.25Å; S31-F33 WeakPolarHBondContact O-CD2 3.42Å; S31-F33 PolarHBondContact O-N 3.14Å | ||
| 32 | D | 60.2 | Low | 57.3 | Low | 147 Ų | 147 | 83.6 Ų | 83.6 | 79% | 0.786 | 46% | 0.457 | S | S | * | . | trans | -70.7 | 96.4 | 170.4 | -86.1 | -14.3 | 0 | 0 | 0 | 108.7 | D30 L34 | D30-D32 PolarHBondContact O-N 3.45Å; D32-L34 PolarHBondContact O-N 2.77Å | ||
| 33 | F | 73.1 | Confident | 60.6 | Low | 67 Ų | 67 | 72.8 Ų | 72.8 | 29% | 0.294 | 42% | 0.417 | S | S | . | . | trans | -71.7 | 124.5 | 173 | -72.9 | -91.8 | 0 | 0 | 0 | 109.9 | S31 T35 D56 L58 M141 | S31-F33 VanDerWaalsContact O-CD2 3.25Å; S31-F33 WeakPolarHBondContact O-CD2 3.42Å; S31-F33 PolarHBondContact O-N 3.14Å; F33-T35 PolarHBondContact O-N 3.06Å; F33-D56 HydrophobicContact CD1-CB 3.78Å; F33-D56 HydrophobicContact CE1-CB 3.83Å; F33-D56 HydrophobicContact CG-CB 4.5Å; F33-L58 HydrophobicContact CB-CB 4.35Å; F33-M141 HydrophobicContact CE1-CG 4.36Å; F33-M141 HydrophobicContact CE1-SD 4.3Å; F33-M141 HydrophobicContact CZ-SD 4.38Å | ||
| 34 | L | 83.8 | Confident | 63.6 | Low | 37 Ų | 37 | 74.1 Ų | 74.1 | 19% | 0.194 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 115.2 | 166.5 | 178.6 | 69.8 | 0 | 0 | 0 | 109.3 | D32 L36 K41 L43 D56 F57 L58 L160 | D32-L34 PolarHBondContact O-N 2.77Å; L34-L36 HydrophobicContact CD2-CD2 3.97Å; L34-L36 HydrophobicContact CG-CD2 4.23Å; L34-K41 HydrophobicContact CD1-CG 4.43Å; L34-K41 HydrophobicContact CD2-CB 4.02Å; L34-K41 HydrophobicContact CD2-CG 4.23Å; L34-L43 HydrophobicContact CD2-CD1 3.68Å; L34-L43 HydrophobicContact CD2-CD2 4.25Å; L34-L43 HydrophobicContact CD2-CG 4.18Å; L34-D56 PolarHBondContact N-O 3.47Å; L34-F57 HydrophobicContact CB-CB 4.16Å; L34-F57 CarbonylContact O-C 3.5Å; L34-F57 WeakPolarHBondContact O-CA 2.99Å; L34-F57 VanDerWaalsContact O-CB 3.29Å; L34-F57 WeakPolarHBondContact O-CB 3.33Å; L34-L58 PolarHBondContact O-N 3.33Å; L34-L160 HydrophobicContact CD2-CD1 4.03Å |
| 35 | T | 83.7 | Confident | 66.7 | Low | 54 Ų | 54 | 66.3 Ų | 66.3 | 33% | 0.331 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 122.1 | 177.5 | -59.1 | 0 | 0 | 0 | 0 | 110.7 | F33 V60 | F33-T35 PolarHBondContact O-N 3.06Å; T35-V60 HydrophobicContact CG2-CG2 3.33Å |
| 36 | L | 84.1 | Confident | 69.4 | Low | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.01 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 114.3 | 179.8 | -60.4 | -179.3 | 0 | 0 | 0 | 110.8 | L34 K41 F57 L58 L59 V60 F66 L160 | L34-L36 HydrophobicContact CD2-CD2 3.97Å; L34-L36 HydrophobicContact CG-CD2 4.23Å; L36-K41 HydrophobicContact CD2-CB 4.05Å; L36-K41 HydrophobicContact CD2-CG 3.68Å; L36-F57 HydrophobicContact CD1-CB 4.37Å; L36-F57 HydrophobicContact CD1-CD2 3.54Å; L36-F57 HydrophobicContact CD1-CE2 4.13Å; L36-F57 HydrophobicContact CD1-CG 4.16Å; L36-F57 HydrophobicContact CG-CB 4.37Å; L36-F57 HydrophobicContact CG-CD2 4.33Å; L36-L58 PolarHBondContact N-O 2.95Å; L36-L59 HydrophobicContact CD1-CD1 4.29Å; L36-V60 WeakPolarHBondContact O-CB 3.22Å; L36-V60 VanDerWaalsContact O-CG2 3.24Å; L36-V60 WeakPolarHBondContact O-CG2 3.25Å; L36-V60 PolarHBondContact O-N 2.78Å; L36-F66 HydrophobicContact CD1-CE2 3.96Å; L36-L160 HydrophobicContact CD1-CB 3.96Å; L36-L160 HydrophobicContact CD1-CD1 4.2Å; L36-L160 HydrophobicContact CD2-CB 3.71Å; L36-L160 HydrophobicContact CD2-CD1 4.08Å |
| 37 | H | 86.2 | Confident | 72.4 | Confident | 99 Ų | 99 | 63.3 Ų | 63.3 | 46% | 0.458 | 36% | 0.364 | S | S | . | . | trans | -99.9 | -171.7 | 169.9 | -62.1 | -92.6 | 0 | 0 | 0 | 110 | S39 I162 | H37-S39 PolarHBondContact O-N 3.39Å; H37-I162 WeakPolarHBondContact O-CD1 3.31Å; H37-I162 VanDerWaalsContact O-CG1 3.24Å; H37-I162 WeakPolarHBondContact O-CG1 3.42Å | ||
| 38 | D | 82.4 | Confident | 75.1 | Confident | 82 Ų | 82 | 59.2 Ų | 59.2 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -64.4 | -21.5 | -179.4 | -68.2 | 4.4 | 0 | 0 | 0 | 113 | Q61 K163 | D38-Q61 PolarHBondContact OD1-NE2 2.88Å; D38-K163 VanDerWaalsContact CG-NZ 3.34Å; D38-K163 WeakPolarHBondContact OD1-CE 3.41Å; D38-K163 IonicContact OD1-NZ 3.79Å; D38-K163 PolarHBondContact OD1-NZ 2.78Å; D38-K163 VanDerWaalsContact OD1-NZ 3.14Å; D38-K163 IonicContact OD2-NZ 2.86Å; D38-K163 PolarHBondContact OD2-NZ 2.79Å |
| 39 | S | 84.2 | Confident | 77.8 | Confident | 40 Ų | 40 | 60.7 Ų | 60.7 | 28% | 0.28 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -81.8 | 133.7 | 172.8 | -51.1 | 0 | 0 | 0 | 0 | 111.5 | H37 | H37-S39 PolarHBondContact O-N 3.39Š|
| 40 | P | 89 | Confident | 80.1 | Confident | 18 Ų | 18 | 59.8 Ų | 59.8 | 12% | 0.117 | 33% | 0.331 | C | S | . | . | trans | -63.1 | 149.5 | 178.2 | 24.4 | -30.5 | 0 | 0 | 0 | 111.7 | L160 A161 T261 I262 | P40-L160 WeakPolarHBondContact CA-O 3.5Å; P40-A161 HydrophobicContact CB-CB 4.14Å; P40-T261 WeakPolarHBondContact CB-O 3.36Å; P40-T261 WeakPolarHBondContact CG-O 3.2Å; P40-I262 HydrophobicContact CG-CD1 4.35Å; P40-I262 HydrophobicContact CG-CG1 4.37Å | ||
| 41 | K | 90.3 | Very high | 82.6 | Confident | 44 Ų | 44 | 58.2 Ų | 58.2 | 19% | 0.191 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.1 | 174.8 | -62.5 | -61.4 | -176.3 | -179.9 | 0 | 109.8 | L34 L36 R159 L160 | L34-K41 HydrophobicContact CD1-CG 4.43Å; L34-K41 HydrophobicContact CD2-CB 4.02Å; L34-K41 HydrophobicContact CD2-CG 4.23Å; L36-K41 HydrophobicContact CD2-CB 4.05Å; L36-K41 HydrophobicContact CD2-CG 3.68Å; K41-R159 CarbonylContact O-C 3.59Å; K41-R159 WeakPolarHBondContact O-CA 3.41Å; K41-L160 PolarHBondContact N-O 3.18Å; K41-L160 PolarHBondContact O-N 3.1Å |
| 42 | L | 90.6 | Very high | 84.5 | Confident | 43 Ų | 43 | 58.7 Ų | 58.7 | 23% | 0.225 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.6 | 172.1 | -174.1 | 71.7 | 0 | 0 | 0 | 108.5 | Q157 I158 R159 I262 | L42-Q157 HydrophobicContact CD1-CB 4.1Å; L42-Q157 HydrophobicContact CD1-CG 4.4Å; L42-I158 CarbonylContact C-O 3.56Å; L42-I158 WeakPolarHBondContact CA-O 3.46Å; L42-R159 HydrophobicContact CD1-CB 4.04Å; L42-I262 HydrophobicContact CB-CD1 4.42Å; L42-I262 HydrophobicContact CB-CG2 4.3Å; L42-I262 HydrophobicContact CD2-CG2 3.84Å; L42-I262 HydrophobicContact CG-CG2 4.5Å |
| 43 | L | 91.9 | Very high | 86 | Confident | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 136.7 | 178.3 | -60.1 | 169.6 | 0 | 0 | 0 | 109 | L34 V45 V55 Q157 I158 | L34-L43 HydrophobicContact CD2-CD1 3.68Å; L34-L43 HydrophobicContact CD2-CD2 4.25Å; L34-L43 HydrophobicContact CD2-CG 4.18Å; L43-V45 HydrophobicContact CB-CG2 4.4Å; L43-V55 HydrophobicContact CD1-CG1 3.56Å; L43-V55 HydrophobicContact CD1-CG2 4.31Å; L43-Q157 CarbonylContact O-C 3.56Å; L43-Q157 VanDerWaalsContact O-CA 3.32Å; L43-Q157 WeakPolarHBondContact O-CA 3.39Å; L43-I158 HydrophobicContact CB-CB 4.34Å; L43-I158 PolarHBondContact N-O 3.28Å; L43-I158 PolarHBondContact O-N 3.03Å |
| 44 | N | 91.1 | Very high | 86.8 | Confident | 90 Ų | 90 | 53.4 Ų | 53.4 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 122.3 | 165.9 | -63.5 | -60.1 | 0 | 0 | 0 | 107.8 | Q157 | N44-Q157 WeakPolarHBondContact OD1-CG 3.13Å; N44-Q157 PolarHBondContact OD1-NE2 2.86Å; N44-Q157 VanDerWaalsContact OD1-NE2 3.09Å |
| 45 | V | 91.2 | Very high | 87.2 | Confident | 10 Ų | 10 | 52 Ų | 52 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123 | 179.3 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | L43 V47 R53 V55 V155 S156 I158 | L43-V45 HydrophobicContact CB-CG2 4.4Å; V45-V47 HydrophobicContact CG1-CG2 4.08Å; V45-R53 HydrophobicContact CG1-CB 3.76Å; V45-R53 HydrophobicContact CG1-CG 4.18Å; V45-V55 HydrophobicContact CG2-CG2 4.08Å; V45-V155 WeakPolarHBondContact O-CA 3.48Å; V45-S156 PolarHBondContact N-O 3.13Å; V45-S156 PolarHBondContact O-N 3.4Å; V45-I158 HydrophobicContact CB-CD1 4.37Å; V45-I158 HydrophobicContact CG2-CD1 3.55Å; V45-I158 HydrophobicContact CG2-CG1 4.11Å |
| 46 | Q | 89.8 | Confident | 87.5 | Confident | 108 Ų | 108 | 50.5 Ų | 50.5 | 51% | 0.505 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.8 | 171.1 | -176.5 | 176.9 | -29.5 | 0 | 0 | 109.1 | N48 C154 V155 | Q46-N48 PolarHBondContact NE2-OD1 3.08Å; Q46-C154 CarbonylContact C-O 3.58Å; Q46-C154 WeakPolarHBondContact CA-O 3.39Å; Q46-V155 HydrophobicContact CB-CG2 4.34Å; Q46-V155 HydrophobicContact CG-CG2 4.24Å |
| 47 | V | 88.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 117.6 | 177.9 | -170.5 | 0 | 0 | 0 | 0 | 108.1 | V45 E51 R53 L146 P153 C154 | V45-V47 HydrophobicContact CG1-CG2 4.08Å; V47-E51 WeakPolarHBondContact CG1-O 3.29Å; V47-R53 HydrophobicContact CG2-CB 4.14Å; V47-R53 HydrophobicContact CG2-CG 4.1Å; V47-L146 HydrophobicContact CG2-CB 3.92Å; V47-P153 WeakPolarHBondContact O-CA 3.43Å; V47-C154 PolarHBondContact N-O 3.43Å; V47-C154 PolarHBondContact O-N 2.56Å |
| 48 | N | 86 | Confident | 87.9 | Confident | 52 Ų | 52 | 48.3 Ų | 48.3 | 28% | 0.278 | 27% | 0.273 | S | S | . | . | trans | -79.2 | 166.8 | 176 | -57.6 | -45.7 | 0 | 0 | 0 | 110.7 | Q46 G50 E51 | Q46-N48 PolarHBondContact NE2-OD1 3.08Å; N48-G50 PolarHBondContact O-N 2.91Å; N48-E51 HydrophobicContact CB-CG 4.23Å; N48-E51 WeakPolarHBondContact CB-OE2 3.47Å; N48-E51 PolarHBondContact ND2-OE2 2.88Å; N48-E51 PolarHBondContact O-N 2.92Å; N48-E51 VanDerWaalsContact O-N 3.16Å | ||
| 49 | Q | 80.9 | Confident | 88.1 | Confident | 114 Ų | 114 | 44.5 Ų | 44.5 | 53% | 0.533 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 128.5 | 179 | -176.9 | -177.6 | 12.4 | 0 | 0 | 111.4 | E51 N151 | Q49-E51 PolarHBondContact O-N 3.04Å; Q49-E51 VanDerWaalsContact O-N 3.14Å; Q49-N151 VanDerWaalsContact NE2-CG 3.27Å; Q49-N151 PolarHBondContact NE2-OD1 3.34Å |
| 50 | G | 76.2 | Confident | 88.1 | Confident | 68 Ų | 68 | 45.9 Ų | 45.9 | 70% | 0.701 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | -9.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N48 | N48-G50 PolarHBondContact O-N 2.91Š|
| 51 | E | 85.2 | Confident | 87.8 | Confident | 79 Ų | 79 | 48.3 Ų | 48.3 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | trans | -84.6 | 150.4 | 176.1 | -66.3 | -176 | 173.8 | 0 | 0 | 111.2 | V47 N48 Q49 R53 | V47-E51 WeakPolarHBondContact CG1-O 3.29Å; N48-E51 HydrophobicContact CB-CG 4.23Å; N48-E51 WeakPolarHBondContact CB-OE2 3.47Å; N48-E51 PolarHBondContact ND2-OE2 2.88Å; N48-E51 PolarHBondContact O-N 2.92Å; N48-E51 VanDerWaalsContact O-N 3.16Å; Q49-E51 PolarHBondContact O-N 3.04Å; Q49-E51 VanDerWaalsContact O-N 3.14Å; E51-R53 IonicContact OE2-NE 3.55Å; E51-R53 IonicContact OE2-NH2 3.58Å | ||
| 52 | S | 87.4 | Confident | 87.2 | Confident | 70 Ų | 70 | 48.3 Ų | 48.3 | 49% | 0.49 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 137.1 | 164.4 | -63.6 | 0 | 0 | 0 | 0 | 108.5 | L146 | S52-L146 CarbonylContact C-O 3.5Å; S52-L146 VanDerWaalsContact CA-O 3.27Å; S52-L146 WeakPolarHBondContact CA-O 3.1Å |
| 53 | R | 90.9 | Very high | 86.8 | Confident | 48 Ų | 48 | 50.7 Ų | 50.7 | 18% | 0.181 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 133 | 172.7 | -69.7 | -65.9 | -176.7 | 149.9 | 1.4 | 109.6 | V25 N27 V45 V47 E51 V145 L146 | V25-R53 PolarHBondContact O-NH1 2.85Å; N27-R53 PolarHBondContact OD1-NH1 2.85Å; V45-R53 HydrophobicContact CG1-CB 3.76Å; V45-R53 HydrophobicContact CG1-CG 4.18Å; V47-R53 HydrophobicContact CG2-CB 4.14Å; V47-R53 HydrophobicContact CG2-CG 4.1Å; E51-R53 IonicContact OE2-NE 3.55Å; E51-R53 IonicContact OE2-NH2 3.58Å; R53-V145 CarbonylContact O-C 3.57Å; R53-V145 WeakPolarHBondContact O-CA 3.22Å; R53-L146 PolarHBondContact N-O 3.18Å; R53-L146 PolarHBondContact O-N 3.06Å |
| 54 | S | 90.7 | Very high | 86.6 | Confident | 55 Ų | 55 | 51 Ų | 51 | 39% | 0.385 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 138.9 | 175.4 | 57.1 | 0 | 0 | 0 | 0 | 111.1 | I144 | S54-I144 CarbonylContact C-O 3.53Å; S54-I144 WeakPolarHBondContact CA-O 3.2Å |
| 55 | V | 91.2 | Very high | 86.5 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 111.3 | 169.8 | 177.8 | 0 | 0 | 0 | 0 | 107.7 | L43 V45 R143 I144 I158 | L43-V55 HydrophobicContact CD1-CG1 3.56Å; L43-V55 HydrophobicContact CD1-CG2 4.31Å; V45-V55 HydrophobicContact CG2-CG2 4.08Å; V55-R143 CarbonylContact O-C 3.51Å; V55-R143 WeakPolarHBondContact O-CA 3.35Å; V55-I144 PolarHBondContact N-O 2.88Å; V55-I144 PolarHBondContact O-N 2.96Å; V55-I158 HydrophobicContact CB-CD1 4.33Å; V55-I158 HydrophobicContact CG2-CD1 3.71Å |
| 56 | D | 90.1 | Very high | 86.6 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 12% | 0.118 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 136.9 | 171.8 | -78.4 | -57.8 | 0 | 0 | 0 | 109.8 | F33 L34 R84 R143 | F33-D56 HydrophobicContact CD1-CB 3.78Å; F33-D56 HydrophobicContact CE1-CB 3.83Å; F33-D56 HydrophobicContact CG-CB 4.5Å; L34-D56 PolarHBondContact N-O 3.47Å; D56-R84 IonicContact OD1-CZ 3.14Å; D56-R84 IonicContact OD1-NH1 2.8Å; D56-R84 PolarHBondContact OD1-NH1 2.89Å; D56-R84 IonicContact OD2-NH1 3.99Å; D56-R143 WeakPolarHBondContact OD1-CB 3.08Å; D56-R143 IonicContact OD1-CZ 3.22Å; D56-R143 IonicContact OD1-NE 3.27Å; D56-R143 PolarHBondContact OD1-NE 2.81Å; D56-R143 IonicContact OD1-NH2 3.15Å; D56-R143 PolarHBondContact OD1-NH2 3.37Å; D56-R143 IonicContact OD2-CZ 2.79Å; D56-R143 IonicContact OD2-NE 2.77Å; D56-R143 PolarHBondContact OD2-NE 2.81Å; D56-R143 IonicContact OD2-NH2 3.45Å; D56-R143 PolarHBondContact OD2-NH2 2.79Å |
| 57 | F | 90.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 154.6 | -179.3 | 63.7 | -91.4 | 0 | 0 | 0 | 112.8 | L34 L36 L59 F66 L81 M141 G142 I144 L160 | L34-F57 HydrophobicContact CB-CB 4.16Å; L34-F57 CarbonylContact O-C 3.5Å; L34-F57 WeakPolarHBondContact O-CA 2.99Å; L34-F57 VanDerWaalsContact O-CB 3.29Å; L34-F57 WeakPolarHBondContact O-CB 3.33Å; L36-F57 HydrophobicContact CD1-CB 4.37Å; L36-F57 HydrophobicContact CD1-CD2 3.54Å; L36-F57 HydrophobicContact CD1-CE2 4.13Å; L36-F57 HydrophobicContact CD1-CG 4.16Å; L36-F57 HydrophobicContact CG-CB 4.37Å; L36-F57 HydrophobicContact CG-CD2 4.33Å; F57-L59 HydrophobicContact CD2-CD1 3.69Å; F57-L59 HydrophobicContact CE2-CD1 3.49Å; F57-L59 VanDerWaalsContact CE2-CD1 3.49Å; F57-F66 HydrophobicContact CD2-CE2 4.49Å; F57-F66 AromaticContact CE2-CE2 3.69Å; F57-F66 HydrophobicContact CE2-CE2 3.69Å; F57-F66 AromaticContact CE2-CZ 3.83Å; F57-F66 HydrophobicContact CE2-CZ 3.83Å; F57-F66 AromaticContact CZ-CE2 3.97Å; F57-F66 HydrophobicContact CZ-CE2 3.97Å; F57-F66 AromaticContact CZ-CZ 3.6Å; F57-F66 HydrophobicContact CZ-CZ 3.6Å; F57-L81 HydrophobicContact CE1-CD1 3.96Å; F57-L81 HydrophobicContact CZ-CD1 3.85Å; F57-M141 WeakPolarHBondContact O-CA 3.36Å; F57-G142 WeakPolarHBondContact CD1-O 3.22Å; F57-G142 VanDerWaalsContact CZ-CA 3.49Å; F57-G142 PolarHBondContact N-O 2.82Å; F57-G142 PolarHBondContact O-N 3.41Å; F57-I144 HydrophobicContact CE1-CD1 4.45Å; F57-I144 HydrophobicContact CE1-CG1 4.12Å; F57-L160 HydrophobicContact CB-CD1 4.25Å; F57-L160 HydrophobicContact CD1-CD1 3.99Å; F57-L160 HydrophobicContact CG-CD1 4.06Å |
| 58 | L | 88 | Confident | 87 | Confident | 55 Ų | 55 | 43.2 Ų | 43.2 | 29% | 0.288 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 126.1 | -180 | -174.1 | 79.7 | 0 | 0 | 0 | 110.3 | F33 L34 L36 R140 M141 | F33-L58 HydrophobicContact CB-CB 4.35Å; L34-L58 PolarHBondContact O-N 3.33Å; L36-L58 PolarHBondContact N-O 2.95Å; L58-R140 CarbonylContact C-O 3.57Å; L58-R140 VanDerWaalsContact CA-O 3.31Å; L58-R140 WeakPolarHBondContact CA-O 3.35Å; L58-R140 HydrophobicContact CD1-CB 4.03Å; L58-R140 WeakPolarHBondContact CD1-O 3.43Å; L58-M141 HydrophobicContact CD1-CG 3.78Å |
| 59 | L | 86.3 | Confident | 87.3 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 120.7 | 170.9 | -79.4 | 77.2 | 0 | 0 | 0 | 109.8 | L36 F57 Q61 F66 F137 R140 I162 | L36-L59 HydrophobicContact CD1-CD1 4.29Å; F57-L59 HydrophobicContact CD2-CD1 3.69Å; F57-L59 HydrophobicContact CE2-CD1 3.49Å; F57-L59 VanDerWaalsContact CE2-CD1 3.49Å; L59-Q61 PolarHBondContact O-N 2.77Å; L59-F66 HydrophobicContact CD1-CD2 4.46Å; L59-F66 HydrophobicContact CD2-CD2 4.32Å; L59-F137 HydrophobicContact CD1-CD1 4.05Å; L59-F137 HydrophobicContact CD1-CE1 4.12Å; L59-F137 HydrophobicContact CD2-CB 3.88Å; L59-F137 HydrophobicContact CD2-CD1 3.86Å; L59-F137 HydrophobicContact CD2-CG 4.04Å; L59-R140 PolarHBondContact N-O 3.18Å; L59-I162 HydrophobicContact CD2-CG2 3.91Å; L59-I162 HydrophobicContact CG-CG2 4.09Å |
| 60 | V | 84 | Confident | 88 | Confident | 68 Ų | 68 | 35.4 Ų | 35.4 | 41% | 0.412 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -64.2 | -33.9 | 172.7 | 176.8 | 0 | 0 | 0 | 0 | 111 | T35 L36 P62 | T35-V60 HydrophobicContact CG2-CG2 3.33Å; L36-V60 WeakPolarHBondContact O-CB 3.22Å; L36-V60 VanDerWaalsContact O-CG2 3.24Å; L36-V60 WeakPolarHBondContact O-CG2 3.25Å; L36-V60 PolarHBondContact O-N 2.78Å; V60-P62 WeakPolarHBondContact O-CD 3.22Å |
| 61 | Q | 82.8 | Confident | 88.9 | Confident | 70 Ų | 70 | 32.5 Ų | 32.5 | 33% | 0.327 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -117.1 | 91 | 179.3 | -68.9 | 176.2 | 43.7 | 0 | 0 | 110.3 | D38 L59 S64 K163 | D38-Q61 PolarHBondContact OD1-NE2 2.88Å; L59-Q61 PolarHBondContact O-N 2.77Å; Q61-S64 WeakPolarHBondContact O-CB 3.42Å; Q61-S64 PolarHBondContact O-OG 3.16Å; Q61-K163 VanDerWaalsContact CD-CE 3.48Å; Q61-K163 VanDerWaalsContact CD-NZ 3.34Å |
| 62 | P | 78.4 | Confident | 89.3 | Confident | 43 Ų | 43 | 28.8 Ų | 28.8 | 28% | 0.279 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 153.8 | 173.7 | 24.1 | -31.9 | 0 | 0 | 0 | 110.4 | V60 S64 R140 | V60-P62 WeakPolarHBondContact O-CD 3.22Å; P62-S64 PolarHBondContact O-N 2.88Å; P62-R140 HydrophobicContact CB-CG 3.95Å; P62-R140 HydrophobicContact CG-CG 4.11Å |
| 63 | T | 82.9 | Confident | 89.5 | Confident | 94 Ų | 94 | 26.5 Ų | 26.5 | 58% | 0.577 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69 | 0.1 | -178.7 | 73.8 | 0 | 0 | 0 | 0 | 116.7 | S136 F137 | T63-S136 WeakPolarHBondContact CA-OG 3.42Å; T63-S136 PolarHBondContact O-OG 3.09Å; T63-F137 WeakPolarHBondContact CA-O 3.48Å; T63-F137 PolarHBondContact N-O 2.82Å |
| 64 | S | 86.7 | Confident | 89.2 | Confident | 15 Ų | 15 | 26.1 Ų | 26.1 | 11% | 0.105 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -66.6 | 160.1 | 169.5 | 57.3 | 0 | 0 | 0 | 0 | 112 | Q61 P62 F137 | Q61-S64 WeakPolarHBondContact O-CB 3.42Å; Q61-S64 PolarHBondContact O-OG 3.16Å; P62-S64 PolarHBondContact O-N 2.88Å; S64-F137 PolarHBondContact O-N 2.94Å |
| 65 | S | 90 | Very high | 89.1 | Confident | 22 Ų | 22 | 23.9 Ų | 23.9 | 15% | 0.154 | 15% | 0.147 | C | C | . | . | trans | -61 | 139.8 | 168 | 65 | 0 | 0 | 0 | 0 | 108.9 | T134 N135 I162 K163 E164 | S65-T134 CarbonylContact C-O 3.57Å; S65-T134 VanDerWaalsContact CA-O 3.28Å; S65-T134 WeakPolarHBondContact CA-O 3.4Å; S65-N135 WeakPolarHBondContact CA-O 3.49Å; S65-N135 PolarHBondContact N-O 2.86Å; S65-I162 CarbonylContact O-C 3.6Å; S65-I162 WeakPolarHBondContact O-CA 3.26Å; S65-K163 PolarHBondContact O-N 2.87Å; S65-K163 WeakPolarHBondContact OG-CA 3.44Å; S65-K163 PolarHBondContact OG-N 2.85Å; S65-E164 PolarHBondContact OG-N 3.21Å; S65-E164 PolarHBondContact OG-O 2.8Å | ||
| 66 | F | 92.1 | Very high | 89 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 1% | 0.013 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 138.1 | -175.9 | 171 | -96.5 | 0 | 0 | 0 | 109.7 | L36 F57 L59 A68 L81 Y132 S133 T134 F137 L160 A161 I162 | L36-F66 HydrophobicContact CD1-CE2 3.96Å; F57-F66 HydrophobicContact CD2-CE2 4.49Å; F57-F66 AromaticContact CE2-CE2 3.69Å; F57-F66 HydrophobicContact CE2-CE2 3.69Å; F57-F66 AromaticContact CE2-CZ 3.83Å; F57-F66 HydrophobicContact CE2-CZ 3.83Å; F57-F66 AromaticContact CZ-CE2 3.97Å; F57-F66 HydrophobicContact CZ-CE2 3.97Å; F57-F66 AromaticContact CZ-CZ 3.6Å; F57-F66 HydrophobicContact CZ-CZ 3.6Å; L59-F66 HydrophobicContact CD1-CD2 4.46Å; L59-F66 HydrophobicContact CD2-CD2 4.32Å; F66-A68 HydrophobicContact CE1-CB 3.79Å; F66-A68 HydrophobicContact CZ-CB 3.85Å; F66-L81 HydrophobicContact CE1-CD2 3.83Å; F66-Y132 HydrophobicContact CD1-CD1 4.1Å; F66-Y132 HydrophobicContact CD1-CE1 4.22Å; F66-Y132 HydrophobicContact CE1-CD1 4.14Å; F66-S133 WeakPolarHBondContact O-CA 3.31Å; F66-T134 HydrophobicContact CB-CG2 3.95Å; F66-T134 HydrophobicContact CD1-CG2 4.41Å; F66-T134 PolarHBondContact N-O 2.84Å; F66-T134 PolarHBondContact O-N 3.11Å; F66-F137 HydrophobicContact CB-CB 3.73Å; F66-F137 HydrophobicContact CB-CD2 4.1Å; F66-F137 HydrophobicContact CB-CG 4.22Å; F66-F137 AromaticContact CD1-CD2 3.68Å; F66-F137 HydrophobicContact CD1-CD2 3.68Å; F66-F137 HydrophobicContact CD1-CE2 4.11Å; F66-F137 HydrophobicContact CE1-CD2 4.25Å; F66-F137 HydrophobicContact CE1-CE2 4.22Å; F66-F137 HydrophobicContact CG-CB 4.35Å; F66-F137 AromaticContact CG-CD2 3.88Å; F66-F137 HydrophobicContact CG-CD2 3.88Å; F66-F137 HydrophobicContact CG-CG 4.31Å; F66-L160 HydrophobicContact CE2-CD2 4.05Å; F66-L160 HydrophobicContact CZ-CD2 3.77Å; F66-A161 WeakPolarHBondContact CA-O 3.43Å; F66-I162 HydrophobicContact CD2-CG2 4.1Å |
| 67 | R | 92.3 | Very high | 89.1 | Confident | 18 Ų | 18 | 25.6 Ų | 25.6 | 7% | 0.068 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 128.2 | 176.8 | -171 | 160 | -178.7 | -135.5 | 0.5 | 110.6 | V69 Y132 S133 A161 E164 S167 E263 | R67-V69 HydrophobicContact CG-CG2 4.08Å; R67-Y132 WeakPolarHBondContact CA-O 3.37Å; R67-S133 WeakPolarHBondContact CD-OG 3.45Å; R67-S133 WeakPolarHBondContact CG-OG 3.32Å; R67-S133 PolarHBondContact NE-OG 3.26Å; R67-A161 PolarHBondContact N-O 3.1Å; R67-A161 PolarHBondContact O-N 3.33Å; R67-E164 WeakPolarHBondContact CD-OE2 3.38Å; R67-E164 IonicContact NH1-OE2 3.43Å; R67-E164 PolarHBondContact NH1-OE2 2.94Å; R67-S167 VanDerWaalsContact CZ-CB 3.44Å; R67-S167 VanDerWaalsContact NH1-CB 3.29Å; R67-S167 VanDerWaalsContact NH2-CB 3.35Å; R67-S167 PolarHBondContact NH2-OG 3.46Å; R67-E263 IonicContact CZ-OE1 3.54Å; R67-E263 IonicContact NH1-OE1 3.09Å; R67-E263 PolarHBondContact NH1-OE1 2.81Å; R67-E263 IonicContact NH1-OE2 2.87Å; R67-E263 PolarHBondContact NH1-OE2 3.37Å; R67-E263 IonicContact NH2-OE1 2.83Å; R67-E263 PolarHBondContact NH2-OE1 3.06Å |
| 68 | A | 94.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 131.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | F66 W79 S131 Y132 I144 R159 L160 | F66-A68 HydrophobicContact CE1-CB 3.79Å; F66-A68 HydrophobicContact CZ-CB 3.85Å; A68-W79 HydrophobicContact CB-CH2 4.39Å; A68-W79 HydrophobicContact CB-CZ3 4.43Å; A68-S131 CarbonylContact O-C 3.4Å; A68-S131 VanDerWaalsContact O-CA 3.24Å; A68-S131 WeakPolarHBondContact O-CA 3.23Å; A68-Y132 PolarHBondContact N-O 2.79Å; A68-Y132 PolarHBondContact O-N 2.93Å; A68-I144 HydrophobicContact CB-CD1 4.07Å; A68-R159 CarbonylContact C-O 3.53Å; A68-R159 WeakPolarHBondContact CA-O 3.46Å; A68-L160 HydrophobicContact CB-CD2 3.78Å |
| 69 | V | 93.8 | Very high | 89.6 | Confident | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 123.6 | 175.5 | -173.7 | 0 | 0 | 0 | 0 | 108.3 | R67 Q129 M130 R159 | R67-V69 HydrophobicContact CG-CG2 4.08Å; V69-Q129 HydrophobicContact CG1-CG 3.32Å; V69-M130 CarbonylContact C-O 3.57Å; V69-M130 WeakPolarHBondContact CA-O 3.22Å; V69-R159 HydrophobicContact CB-CB 4.1Å; V69-R159 HydrophobicContact CB-CG 4.3Å; V69-R159 HydrophobicContact CG2-CG 4.46Å; V69-R159 PolarHBondContact N-O 2.83Å; V69-R159 PolarHBondContact O-N 3.39Å |
| 70 | V | 94.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 121 | 174.2 | 177.2 | 0 | 0 | 0 | 0 | 108 | V77 W79 M130 L146 Q157 | V70-V77 HydrophobicContact CG1-CG2 4.24Å; V70-W79 HydrophobicContact CB-CD2 4.03Å; V70-W79 HydrophobicContact CB-CG 4.04Å; V70-W79 HydrophobicContact CG1-CB 4.44Å; V70-W79 HydrophobicContact CG1-CG 4.16Å; V70-W79 HydrophobicContact CG2-CB 4.38Å; V70-W79 HydrophobicContact CG2-CD2 3.49Å; V70-W79 VanDerWaalsContact CG2-CD2 3.49Å; V70-W79 HydrophobicContact CG2-CE3 3.64Å; V70-W79 HydrophobicContact CG2-CG 3.82Å; V70-W79 HydrophobicContact CG2-CH2 4.43Å; V70-W79 HydrophobicContact CG2-CZ2 4.34Å; V70-W79 HydrophobicContact CG2-CZ3 4.09Å; V70-M130 PolarHBondContact N-O 2.77Å; V70-M130 PolarHBondContact O-N 3.15Å; V70-L146 HydrophobicContact CG1-CD2 3.74Å; V70-Q157 CarbonylContact C-O 3.51Å; V70-Q157 WeakPolarHBondContact CA-O 3.4Å |
| 71 | T | 94.5 | Very high | 90.7 | Very high | 7 Ų | 7 | 21.7 Ų | 21.7 | 4% | 0.043 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 104.8 | -179.2 | -52.5 | 0 | 0 | 0 | 0 | 109.1 | Q129 S156 Q157 A218 | T71-Q129 HydrophobicContact CG2-CB 4.48Å; T71-Q129 PolarHBondContact OG1-NE2 2.53Å; T71-S156 WeakPolarHBondContact O-CA 3.37Å; T71-Q157 PolarHBondContact N-O 3.5Å; T71-Q157 PolarHBondContact O-N 2.9Å; T71-A218 HydrophobicContact CG2-CB 3.53Å |
| 72 | P | 93.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 134.3 | 177.1 | -14.7 | 31.1 | 0 | 0 | 0 | 111 | G74 C75 V77 N128 M130 A218 | P72-G74 PolarHBondContact O-N 3.34Å; P72-C75 WeakPolarHBondContact CB-O 3.44Å; P72-V77 HydrophobicContact CB-CG2 4.06Å; P72-V77 HydrophobicContact CG-CG2 3.59Å; P72-N128 WeakPolarHBondContact CD-O 3.2Å; P72-M130 HydrophobicContact CG-CE 3.76Å; P72-A218 WeakPolarHBondContact O-CB 3.47Å |
| 73 | C | 91.5 | Very high | 91.8 | Very high | 23 Ų | 23 | 19.9 Ų | 19.9 | 16% | 0.155 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -98 | 61.6 | -176.1 | -50.2 | 0 | 0 | 0 | 0 | 111 | V155 C220 | C73-V155 WeakPolarHBondContact CA-O 3.36Å; C73-V155 HydrophobicContact CB-CB 4.46Å; C73-V155 WeakPolarHBondContact CB-O 3.48Å; C73-V155 PolarHBondContact N-O 2.73Å; C73-C220 VanDerWaalsContact CA-SG 3.56Å; C73-C220 HydrophobicContact CB-CB 3.98Å; C73-C220 WeakPolarHBondContact CB-SG 3.5Å; C73-C220 WeakPolarHBondContact SG-CB 3.48Å; C73-C220 CovalentContact SG-SG 2.04Å; C73-C220 PolarHBondContact SG-SG 2.8Å |
| 74 | G | 85.4 | Confident | 92 | Very high | 39 Ų | 39 | 17.2 Ų | 17.2 | 40% | 0.402 | 10% | 0.096 | S | C | . | . | S | Bend | trans | 95.6 | 22.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | P72 R152 | P72-G74 PolarHBondContact O-N 3.34Å; G74-R152 PolarHBondContact O-NH2 3.47Å |
| 75 | C | 88.3 | Confident | 91.7 | Very high | 8 Ų | 8 | 19.6 Ų | 19.6 | 5% | 0.054 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -154.4 | 158.8 | 179.3 | 36.2 | 0 | 0 | 0 | 0 | 110.4 | P72 T150 C154 | P72-C75 WeakPolarHBondContact CB-O 3.44Å; C75-T150 HydrophobicContact CB-CG2 4.35Å; C75-C154 HydrophobicContact CB-CB 3.78Å; C75-C154 WeakPolarHBondContact CB-SG 3.09Å; C75-C154 WeakPolarHBondContact SG-CA 3.5Å; C75-C154 WeakPolarHBondContact SG-CB 3.19Å; C75-C154 CovalentContact SG-SG 2.01Å; C75-C154 PolarHBondContact SG-SG 2.67Å |
| 76 | D | 90.3 | Very high | 90.7 | Very high | 68 Ų | 68 | 21 Ų | 21 | 36% | 0.364 | 12% | 0.122 | S | C | . | . | trans | -83.5 | 132.4 | 177.9 | -61.5 | -7.1 | 0 | 0 | 0 | 110.1 | S127 V149 T150 | D76-S127 VanDerWaalsContact OD1-CB 3.25Å; D76-S127 WeakPolarHBondContact OD1-CB 3.48Å; D76-V149 HydrophobicContact CB-CB 3.97Å; D76-V149 PolarHBondContact O-N 2.63Å; D76-T150 HydrophobicContact CB-CG2 3.99Å | ||
| 77 | V | 92.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.5 | 173.4 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | V70 P72 I125 G126 M130 K147 C154 S156 | V70-V77 HydrophobicContact CG1-CG2 4.24Å; P72-V77 HydrophobicContact CB-CG2 4.06Å; P72-V77 HydrophobicContact CG-CG2 3.59Å; V77-I125 WeakPolarHBondContact O-CA 3.45Å; V77-G126 PolarHBondContact N-O 3.17Å; V77-G126 VanDerWaalsContact N-O 3.15Å; V77-G126 PolarHBondContact O-N 3.2Å; V77-G126 VanDerWaalsContact O-N 3.1Å; V77-M130 HydrophobicContact CG2-CE 3.9Å; V77-K147 WeakPolarHBondContact CA-O 3.27Å; V77-C154 HydrophobicContact CG1-CB 4.31Å; V77-C154 WeakPolarHBondContact CG1-SG 3.49Å; V77-S156 WeakPolarHBondContact CG1-OG 3.35Å |
| 78 | E | 93.7 | Very high | 87.1 | Confident | 39 Ų | 39 | 25.9 Ų | 25.9 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 129.2 | 161.7 | 177.4 | -178.9 | -174.4 | 0 | 0 | 106.9 | R123 H124 I125 L146 K147 V149 | E78-R123 IonicContact OE1-CZ 3.88Å; E78-R123 IonicContact OE1-NH1 3.84Å; E78-R123 PolarHBondContact OE1-NH1 2.79Å; E78-H124 WeakPolarHBondContact CA-O 3.34Å; E78-I125 HydrophobicContact CB-CG1 3.91Å; E78-I125 HydrophobicContact CG-CD1 4.3Å; E78-I125 HydrophobicContact CG-CG1 3.8Å; E78-L146 CarbonylContact O-C 3.58Å; E78-L146 WeakPolarHBondContact O-CA 3.1Å; E78-K147 HydrophobicContact CB-CB 4.36Å; E78-K147 PolarHBondContact N-O 2.89Å; E78-K147 PolarHBondContact O-N 2.8Å; E78-V149 HydrophobicContact CB-CG2 3.95Å |
| 79 | W | 95 | Very high | 84.7 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 147.3 | 170.6 | 78.6 | -76.3 | 0 | 0 | 0 | 111.7 | A68 V70 L81 T122 R123 H124 M130 I144 V145 L146 | A68-W79 HydrophobicContact CB-CH2 4.39Å; A68-W79 HydrophobicContact CB-CZ3 4.43Å; V70-W79 HydrophobicContact CB-CD2 4.03Å; V70-W79 HydrophobicContact CB-CG 4.04Å; V70-W79 HydrophobicContact CG1-CB 4.44Å; V70-W79 HydrophobicContact CG1-CG 4.16Å; V70-W79 HydrophobicContact CG2-CB 4.38Å; V70-W79 HydrophobicContact CG2-CD2 3.49Å; V70-W79 VanDerWaalsContact CG2-CD2 3.49Å; V70-W79 HydrophobicContact CG2-CE3 3.64Å; V70-W79 HydrophobicContact CG2-CG 3.82Å; V70-W79 HydrophobicContact CG2-CH2 4.43Å; V70-W79 HydrophobicContact CG2-CZ2 4.34Å; V70-W79 HydrophobicContact CG2-CZ3 4.09Å; W79-L81 HydrophobicContact CE3-CB 4.49Å; W79-L81 HydrophobicContact CZ3-CB 3.84Å; W79-T122 HydrophobicContact CH2-CG2 3.77Å; W79-T122 HydrophobicContact CZ2-CG2 4.18Å; W79-T122 HydrophobicContact CZ3-CG2 4.19Å; W79-R123 WeakPolarHBondContact O-CA 3.3Å; W79-H124 AromaticContact CE2-CD2 3.78Å; W79-H124 AromaticContact CZ2-CD2 3.58Å; W79-H124 PolarHBondContact N-O 2.64Å; W79-H124 AromaticContact NE1-CD2 3.81Å; W79-H124 PolarHBondContact O-N 2.9Å; W79-M130 HydrophobicContact CZ2-CB 4.26Å; W79-M130 VanDerWaalsContact NE1-CB 3.27Å; W79-I144 HydrophobicContact CE3-CG2 4.13Å; W79-I144 HydrophobicContact CZ3-CD1 4.46Å; W79-I144 HydrophobicContact CZ3-CG1 4.47Å; W79-V145 CarbonylContact C-O 3.58Å; W79-V145 WeakPolarHBondContact CA-O 3.21Å; W79-L146 HydrophobicContact CB-CG 4.07Å |
| 80 | A | 95.9 | Very high | 82.4 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 2% | 0.017 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 142 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y82 T122 R123 I144 V145 | A80-Y82 HydrophobicContact CB-CD2 4.45Å; A80-Y82 HydrophobicContact CB-CE2 3.54Å; A80-T122 CarbonylContact C-O 3.6Å; A80-T122 VanDerWaalsContact CA-O 3.27Å; A80-T122 WeakPolarHBondContact CA-O 3.33Å; A80-R123 HydrophobicContact CB-CB 4.26Å; A80-R123 HydrophobicContact CB-CG 4.36Å; A80-I144 WeakPolarHBondContact O-CA 3.34Å; A80-V145 PolarHBondContact N-O 2.91Å; A80-V145 PolarHBondContact O-N 3Å |
| 81 | L | 96 | Very high | 79.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 128.4 | 175.1 | 176.4 | 64.8 | 0 | 0 | 0 | 109.3 | F57 F66 W79 L121 T122 Y132 I144 | F57-L81 HydrophobicContact CE1-CD1 3.96Å; F57-L81 HydrophobicContact CZ-CD1 3.85Å; F66-L81 HydrophobicContact CE1-CD2 3.83Å; W79-L81 HydrophobicContact CE3-CB 4.49Å; W79-L81 HydrophobicContact CZ3-CB 3.84Å; L81-L121 HydrophobicContact CB-CB 4.49Å; L81-L121 HydrophobicContact CD2-CB 4.18Å; L81-L121 HydrophobicContact CD2-CD1 3.88Å; L81-L121 HydrophobicContact CG-CB 4.24Å; L81-L121 HydrophobicContact CG-CD1 4.08Å; L81-L121 PolarHBondContact O-N 3.18Å; L81-T122 HydrophobicContact CB-CG2 3.98Å; L81-T122 PolarHBondContact N-O 3.06Å; L81-Y132 HydrophobicContact CD2-CD1 3.39Å; L81-Y132 HydrophobicContact CD2-CE1 3.77Å; L81-Y132 HydrophobicContact CD2-CG 3.8Å; L81-I144 HydrophobicContact CD1-CD1 4.34Å; L81-I144 HydrophobicContact CD1-CG1 3.61Å |
| 82 | Y | 94.1 | Very high | 77 | Confident | 39 Ų | 39 | 51.9 Ų | 51.9 | 15% | 0.153 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.3 | 176.1 | -54.9 | -91.7 | 0 | 0 | 0 | 110.4 | A80 E119 E120 R123 G142 R143 V145 | A80-Y82 HydrophobicContact CB-CD2 4.45Å; A80-Y82 HydrophobicContact CB-CE2 3.54Å; Y82-E119 CarbonylContact C-O 3.49Å; Y82-E119 VanDerWaalsContact CA-O 3.26Å; Y82-E119 WeakPolarHBondContact CA-O 3.5Å; Y82-E120 HydrophobicContact CD1-CB 3.89Å; Y82-E120 HydrophobicContact CD1-CG 4.34Å; Y82-E120 HydrophobicContact CE1-CB 3.79Å; Y82-E120 HydrophobicContact CE1-CG 3.98Å; Y82-R123 PolarHBondContact OH-NH2 2.91Å; Y82-G142 CarbonylContact O-C 3.52Å; Y82-G142 WeakPolarHBondContact O-CA 3.28Å; Y82-R143 PolarHBondContact N-O 2.79Å; Y82-R143 PolarHBondContact O-N 3.02Å; Y82-V145 HydrophobicContact CD2-CG2 4.03Å; Y82-V145 HydrophobicContact CE2-CB 4.13Å; Y82-V145 HydrophobicContact CE2-CG2 3.66Å |
| 83 | R | 92.1 | Very high | 74.1 | Confident | 37 Ų | 37 | 63 Ų | 63 | 14% | 0.14 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 133.8 | 161.3 | 165 | 169 | 58 | -142 | 9.6 | 108.6 | V85 E118 E119 L121 F137 S138 | R83-V85 HydrophobicContact CG-CG2 4.06Å; R83-E118 WeakPolarHBondContact O-CA 3.3Å; R83-E119 HydrophobicContact CB-CB 4.48Å; R83-E119 IonicContact CZ-OE1 2.78Å; R83-E119 IonicContact CZ-OE2 2.66Å; R83-E119 PolarHBondContact N-O 3.35Å; R83-E119 IonicContact NE-OE2 3.79Å; R83-E119 PolarHBondContact NE-OE2 3.47Å; R83-E119 IonicContact NH2-OE1 3.59Å; R83-E119 PolarHBondContact NH2-OE1 3Å; R83-E119 IonicContact NH2-OE2 2.91Å; R83-E119 PolarHBondContact NH2-OE2 2.79Å; R83-E119 PolarHBondContact O-N 3.26Å; R83-L121 HydrophobicContact CB-CD1 4.03Å; R83-L121 HydrophobicContact CB-CD2 4.16Å; R83-L121 HydrophobicContact CB-CG 4.1Å; R83-F137 HydrophobicContact CB-CZ 4.27Å; R83-S138 WeakPolarHBondContact CD-O 3.2Å; R83-S138 PolarHBondContact NH1-OG 2.98Å |
| 84 | R | 86.6 | Confident | 71.6 | Confident | 37 Ų | 37 | 70.8 Ų | 70.8 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 119.4 | 176.9 | -59.9 | -174.3 | 78.1 | -156.2 | -9.1 | 109.4 | D56 V116 E118 M141 R143 | D56-R84 IonicContact OD1-CZ 3.14Å; D56-R84 IonicContact OD1-NH1 2.8Å; D56-R84 PolarHBondContact OD1-NH1 2.89Å; D56-R84 IonicContact OD2-NH1 3.99Å; R84-V116 HydrophobicContact CB-CG1 3.75Å; R84-V116 HydrophobicContact CG-CG1 4.26Å; R84-E118 WeakPolarHBondContact CD-OE1 3.42Å; R84-E118 HydrophobicContact CG-CG 4.16Å; R84-E118 IonicContact CZ-OE1 3.85Å; R84-E118 IonicContact NE-OE1 3.62Å; R84-E118 PolarHBondContact NE-OE1 3.46Å; R84-E118 IonicContact NH2-OE1 2.84Å; R84-M141 HydrophobicContact CB-CB 3.89Å; R84-M141 PolarHBondContact N-O 3.17Å; R84-R143 HydrophobicContact CG-CB 4.38Å |
| 85 | V | 80.2 | Confident | 69.2 | Low | 65 Ų | 65 | 78.6 Ų | 78.6 | 39% | 0.394 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 119.9 | 176.5 | -172.8 | 0 | 0 | 0 | 0 | 107.9 | R83 V87 R117 | R83-V85 HydrophobicContact CG-CG2 4.06Å; V85-V87 PolarHBondContact O-N 3.17Å; V85-V87 VanDerWaalsContact O-N 3.1Å; V85-R117 PolarHBondContact N-O 2.64Å; V85-R117 PolarHBondContact O-N 2.68Å |
| 86 | A | 68.5 | Low | 66.5 | Low | 51 Ų | 51 | 85.4 Ų | 85.4 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 107.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||
| 87 | V | 57.8 | Low | 63.8 | Low | 51 Ų | 51 | 87.4 Ų | 87.4 | 31% | 0.309 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 110.8 | 172.7 | -176.3 | 0 | 0 | 0 | 0 | 106.1 | V85 P89 T115 R117 | V85-V87 PolarHBondContact O-N 3.17Å; V85-V87 VanDerWaalsContact O-N 3.1Å; V87-P89 WeakPolarHBondContact O-CD 3.49Å; V87-T115 PolarHBondContact N-O 3.04Å; V87-T115 PolarHBondContact O-OG1 3.21Å; V87-R117 HydrophobicContact CG2-CB 3.69Å |
| 88 | A | 52 | Low | 61.3 | Low | 73 Ų | 73 | 96.8 Ų | 96.8 | 60% | 0.603 | 47% | 0.471 | S | S | * | . | trans | -56.7 | 123.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107 | K90 | A88-K90 PolarHBondContact O-N 3.27Š| ||
| 89 | P | 43.7 | Very low | 58.4 | Low | 62 Ų | 62 | 101.9 Ų | 101.9 | 40% | 0.403 | 50% | 0.499 | S | S | . | . | trans | -53.9 | 128.9 | -179.6 | 18.2 | -29 | 0 | 0 | 0 | 108.7 | V87 S91 | V87-P89 WeakPolarHBondContact O-CD 3.49Å; P89-S91 PolarHBondContact O-N 3.28Å | ||
| 90 | K | 44.5 | Very low | 55.2 | Low | 206 Ų | 206 | 107.7 Ų | 107.7 | 90% | 0.896 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -4.5 | -178.8 | -76.6 | -175.5 | 176.4 | -179.4 | 0 | 113.3 | A88 | A88-K90 PolarHBondContact O-N 3.27Š|
| 91 | S | 42.3 | Very low | 52.2 | Low | 86 Ų | 86 | 113.4 Ų | 113.4 | 60% | 0.601 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 37.9 | -170.9 | 65.2 | 0 | 0 | 0 | 0 | 114.4 | P89 | P89-S91 PolarHBondContact O-N 3.28Š|
| 92 | Y | 33.2 | Very low | 49.1 | Very low | 201 Ų | 201 | 120.1 Ų | 120.1 | 79% | 0.788 | 61% | 0.606 | S | S | * | * | trans | -146.7 | 56.9 | 158 | -79.6 | -78.9 | 0 | 0 | 0 | 109.4 | Y94 | Y92-Y94 VanDerWaalsContact C-N 3.34Š| ||
| 93 | R | 33.2 | Very low | 46.4 | Very low | 236 Ų | 236 | 125.5 Ų | 125.5 | 89% | 0.891 | 64% | 0.637 | S | S | * | * | trans | -88.4 | -4.2 | 165.2 | -109.1 | -171.5 | -170.3 | -177.7 | 2.3 | 113.2 | ||||
| 94 | Y | 39.2 | Very low | 43.8 | Very low | 185 Ų | 185 | 134.3 Ų | 134.3 | 73% | 0.725 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -113.8 | 125.6 | 174.3 | -77 | -87.2 | 0 | 0 | 0 | 108 | Y92 | Y92-Y94 VanDerWaalsContact C-N 3.34Š|
| 95 | Y | 33.7 | Very low | 41.3 | Very low | 204 Ų | 204 | 139.6 Ų | 139.6 | 80% | 0.8 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 72.8 | 88.2 | 178.6 | -45 | -76.2 | 0 | 0 | 0 | 114.5 | ||
| 96 | L | 32.6 | Very low | 39.1 | Very low | 151 Ų | 151 | 147.1 Ų | 147.1 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | -163.1 | 108.9 | 124.5 | -94.6 | 166.6 | 0 | 0 | 0 | 106.8 | |||||
| 97 | P | 32.7 | Very low | 37.4 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | trans | -60.3 | 139.7 | 174.1 | -16.7 | 29.6 | 0 | 0 | 0 | 109.8 | N99 | P97-N99 PolarHBondContact O-N 2.87Š| ||
| 98 | E | 39.8 | Very low | 36 | Very low | 197 Ų | 197 | 153.1 Ų | 153.1 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -59.7 | 9 | -171.3 | -111.8 | 171 | 176.5 | 0 | 0 | 116.9 | ||
| 99 | N | 32.9 | Very low | 35 | Very low | 147 Ų | 147 | 159.8 Ų | 159.8 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -139.7 | 86.4 | 180 | -75.4 | -35.3 | 0 | 0 | 0 | 110 | P97 | P97-N99 PolarHBondContact O-N 2.87Š|
| 100 | T | 28.8 | Very low | 34.5 | Very low | 122 Ų | 122 | 163.1 Ų | 163.1 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | 167 | 97.5 | 147.8 | 30.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 101 | V | 33.5 | Very low | 34 | Very low | 123 Ų | 123 | 161.7 Ų | 161.7 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | trans | -146.2 | 86.8 | 133.6 | -173.5 | 0 | 0 | 0 | 0 | 106.9 | N103 | V101-N103 PolarHBondContact O-N 2.77Š| ||
| 102 | D | 30.7 | Very low | 33.9 | Very low | 141 Ų | 141 | 165.5 Ų | 165.5 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | -66.1 | 124.5 | 160.7 | -166.9 | -5.7 | 0 | 0 | 0 | 108.1 | R104 | D102-R104 VanDerWaalsContact C-N 3.32Å; D102-R104 PolarHBondContact O-N 2.8Å; D102-R104 VanDerWaalsContact O-N 3.08Å | ||
| 103 | N | 37 | Very low | 34.1 | Very low | 151 Ų | 151 | 162.9 Ų | 162.9 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -91.9 | 48.7 | -155.3 | -126.8 | -8.9 | 0 | 0 | 0 | 112.1 | V101 | V101-N103 PolarHBondContact O-N 2.77Š|
| 104 | R | 36.5 | Very low | 34.9 | Very low | 223 Ų | 223 | 155.8 Ų | 155.8 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | trans | -125.6 | -2.2 | -168.4 | -84.3 | -172.9 | 172.8 | 170 | 0 | 119.4 | D102 | D102-R104 VanDerWaalsContact C-N 3.32Å; D102-R104 PolarHBondContact O-N 2.8Å; D102-R104 VanDerWaalsContact O-N 3.08Å | ||
| 105 | L | 35.5 | Very low | 35.6 | Very low | 147 Ų | 147 | 151.1 Ų | 151.1 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -124.5 | -5.4 | -168.8 | -90.5 | 157.6 | 0 | 0 | 0 | 120.2 | ||
| 106 | Y | 32.8 | Very low | 37.2 | Very low | 224 Ų | 224 | 144 Ų | 144 | 88% | 0.878 | 75% | 0.745 | S | S | * | * | trans | -138.1 | 103.9 | 176.1 | -70.2 | -78.9 | 0 | 0 | 0 | 113.2 | N108 | Y106-N108 PolarHBondContact O-N 2.85Š| ||
| 107 | G | 32.7 | Very low | 39.4 | Very low | 82 Ų | 82 | 145.6 Ų | 145.6 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | trans | -74.8 | 45.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 108 | N | 28.6 | Very low | 42 | Very low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 72% | 0.723 | S | S | * | * | trans | -140 | 106.9 | 164.6 | -83.6 | -35.1 | 0 | 0 | 0 | 108.3 | Y106 V110 | Y106-N108 PolarHBondContact O-N 2.85Å; N108-V110 VanDerWaalsContact C-N 3.32Å; N108-V110 PolarHBondContact O-N 2.86Å | ||
| 109 | K | 31.7 | Very low | 44.4 | Very low | 213 Ų | 213 | 138.7 Ų | 138.7 | 93% | 0.926 | 70% | 0.699 | S | S | * | * | trans | -62.3 | 95.9 | 169.8 | -73.5 | -179.7 | 178.8 | 176.4 | 0 | 107.8 | R111 | K109-R111 VanDerWaalsContact C-N 3.32Å; K109-R111 PolarHBondContact O-N 2.86Å | ||
| 110 | V | 32.3 | Very low | 47.3 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 80% | 0.8 | 68% | 0.681 | S | S | * | * | trans | -63.4 | 102.2 | 159 | 179.9 | 0 | 0 | 0 | 0 | 105.2 | N108 Q112 | N108-V110 VanDerWaalsContact C-N 3.32Å; N108-V110 PolarHBondContact O-N 2.86Å; V110-Q112 PolarHBondContact O-N 3.26Å | ||
| 111 | R | 34.6 | Very low | 50.4 | Low | 177 Ų | 177 | 131.8 Ų | 131.8 | 67% | 0.668 | 65% | 0.654 | S | S | * | * | trans | -54.4 | 112.7 | 169.3 | -97.1 | -179 | 169.5 | 167.2 | -0.6 | 106.1 | K109 D113 | K109-R111 VanDerWaalsContact C-N 3.32Å; K109-R111 PolarHBondContact O-N 2.86Å; R111-D113 PolarHBondContact O-N 2.82Å; R111-D113 VanDerWaalsContact O-N 3.17Å | ||
| 112 | Q | 39.3 | Very low | 53.3 | Low | 165 Ų | 165 | 127 Ų | 127 | 77% | 0.771 | 63% | 0.625 | S | S | * | * | trans | -61.4 | 116.9 | 161.6 | -79.4 | 176.1 | -19.6 | 0 | 0 | 106.4 | V110 L114 | V110-Q112 PolarHBondContact O-N 3.26Å; Q112-L114 PolarHBondContact O-N 3.31Å | ||
| 113 | D | 38.9 | Very low | 56.5 | Low | 147 Ų | 147 | 125 Ų | 125 | 79% | 0.786 | 61% | 0.607 | S | S | * | * | trans | -65.4 | 82.1 | 168.7 | -79.3 | -28 | 0 | 0 | 0 | 108.3 | R111 T115 | R111-D113 PolarHBondContact O-N 2.82Å; R111-D113 VanDerWaalsContact O-N 3.17Å; D113-T115 PolarHBondContact O-N 3.05Å; D113-T115 VanDerWaalsContact O-N 3.08Å | ||
| 114 | L | 48.8 | Very low | 59.2 | Low | 86 Ų | 86 | 121.2 Ų | 121.2 | 45% | 0.45 | 58% | 0.584 | S | S | . | * | trans | -61.8 | 110.6 | 166.5 | -76.4 | 158.9 | 0 | 0 | 0 | 106.8 | Q112 V116 | Q112-L114 PolarHBondContact O-N 3.31Å; L114-V116 PolarHBondContact O-N 3.04Å | ||
| 115 | T | 54.7 | Low | 61.9 | Low | 87 Ų | 87 | 116 Ų | 116 | 53% | 0.534 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -59.9 | 104.5 | 165.3 | 36 | 0 | 0 | 0 | 0 | 108.3 | V87 D113 | V87-T115 PolarHBondContact N-O 3.04Å; V87-T115 PolarHBondContact O-OG1 3.21Å; D113-T115 PolarHBondContact O-N 3.05Å; D113-T115 VanDerWaalsContact O-N 3.08Å |
| 116 | V | 66.7 | Low | 64.5 | Low | 56 Ų | 56 | 109.9 Ų | 109.9 | 34% | 0.339 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 117.3 | 175.9 | -177.3 | 0 | 0 | 0 | 0 | 108 | R84 L114 E118 | R84-V116 HydrophobicContact CB-CG1 3.75Å; R84-V116 HydrophobicContact CG-CG1 4.26Å; L114-V116 PolarHBondContact O-N 3.04Å; V116-E118 HydrophobicContact CG1-CG 4.42Å |
| 117 | R | 79.9 | Confident | 67.1 | Low | 183 Ų | 183 | 101.5 Ų | 101.5 | 69% | 0.691 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 127.5 | 169.3 | -173.5 | 177.4 | 177.6 | -175.5 | -1.2 | 108.3 | V85 V87 | V85-R117 PolarHBondContact N-O 2.64Å; V85-R117 PolarHBondContact O-N 2.68Å; V87-R117 HydrophobicContact CG2-CB 3.69Å |
| 118 | E | 86.8 | Confident | 69.7 | Low | 76 Ų | 76 | 101.4 Ų | 101.4 | 36% | 0.355 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 138.5 | 174.8 | -54.4 | -163.1 | 153.5 | 0 | 0 | 109.8 | R83 R84 V116 R143 | R83-E118 WeakPolarHBondContact O-CA 3.3Å; R84-E118 WeakPolarHBondContact CD-OE1 3.42Å; R84-E118 HydrophobicContact CG-CG 4.16Å; R84-E118 IonicContact CZ-OE1 3.85Å; R84-E118 IonicContact NE-OE1 3.62Å; R84-E118 PolarHBondContact NE-OE1 3.46Å; R84-E118 IonicContact NH2-OE1 2.84Å; V116-E118 HydrophobicContact CG1-CG 4.42Å; E118-R143 IonicContact OE1-CZ 3.4Å; E118-R143 IonicContact OE1-NE 3.61Å; E118-R143 IonicContact OE1-NH1 3.82Å; E118-R143 PolarHBondContact OE1-NH1 2.93Å; E118-R143 IonicContact OE2-NH1 2.81Å |
| 119 | E | 90.5 | Very high | 72.6 | Confident | 85 Ų | 85 | 97.2 Ų | 97.2 | 40% | 0.397 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 120.5 | 175.6 | -178.7 | -174.8 | 168.8 | 0 | 0 | 108.5 | Y82 R83 L121 | Y82-E119 CarbonylContact C-O 3.49Å; Y82-E119 VanDerWaalsContact CA-O 3.26Å; Y82-E119 WeakPolarHBondContact CA-O 3.5Å; R83-E119 HydrophobicContact CB-CB 4.48Å; R83-E119 IonicContact CZ-OE1 2.78Å; R83-E119 IonicContact CZ-OE2 2.66Å; R83-E119 PolarHBondContact N-O 3.35Å; R83-E119 IonicContact NE-OE2 3.79Å; R83-E119 PolarHBondContact NE-OE2 3.47Å; R83-E119 IonicContact NH2-OE1 3.59Å; R83-E119 PolarHBondContact NH2-OE1 3Å; R83-E119 IonicContact NH2-OE2 2.91Å; R83-E119 PolarHBondContact NH2-OE2 2.79Å; R83-E119 PolarHBondContact O-N 3.26Å; E119-L121 PolarHBondContact O-N 3.44Å |
| 120 | E | 94.1 | Very high | 75.5 | Confident | 89 Ų | 89 | 88 Ų | 88 | 42% | 0.416 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 121.7 | 176.4 | -172.1 | 170.1 | 140.4 | 0 | 0 | 109.9 | Y82 R123 | Y82-E120 HydrophobicContact CD1-CB 3.89Å; Y82-E120 HydrophobicContact CD1-CG 4.34Å; Y82-E120 HydrophobicContact CE1-CB 3.79Å; Y82-E120 HydrophobicContact CE1-CG 3.98Å; E120-R123 VanDerWaalsContact OE1-CB 3.27Å; E120-R123 WeakPolarHBondContact OE1-CB 3.42Å; E120-R123 IonicContact OE1-CZ 2.93Å; E120-R123 IonicContact OE1-NE 2.8Å; E120-R123 PolarHBondContact OE1-NE 2.78Å; E120-R123 IonicContact OE1-NH2 3.36Å; E120-R123 IonicContact OE2-CZ 2.6Å; E120-R123 IonicContact OE2-NE 3.24Å; E120-R123 IonicContact OE2-NH2 3.21Å; E120-R123 PolarHBondContact OE2-NH2 2.81Å |
| 121 | L | 93.3 | Very high | 78.4 | Confident | 35 Ų | 35 | 84.5 Ų | 84.5 | 18% | 0.183 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -36.4 | 177.7 | -62 | -177.4 | 0 | 0 | 0 | 111.9 | L81 R83 E119 Y132 F137 | L81-L121 HydrophobicContact CB-CB 4.49Å; L81-L121 HydrophobicContact CD2-CB 4.18Å; L81-L121 HydrophobicContact CD2-CD1 3.88Å; L81-L121 HydrophobicContact CG-CB 4.24Å; L81-L121 HydrophobicContact CG-CD1 4.08Å; L81-L121 PolarHBondContact O-N 3.18Å; R83-L121 HydrophobicContact CB-CD1 4.03Å; R83-L121 HydrophobicContact CB-CD2 4.16Å; R83-L121 HydrophobicContact CB-CG 4.1Å; E119-L121 PolarHBondContact O-N 3.44Å; L121-Y132 HydrophobicContact CB-CE2 4.09Å; L121-Y132 HydrophobicContact CD1-CE1 4.23Å; L121-F137 HydrophobicContact CD1-CD2 4.27Å; L121-F137 HydrophobicContact CD1-CE2 3.48Å; L121-F137 VanDerWaalsContact CD1-CE2 3.48Å; L121-F137 HydrophobicContact CD1-CZ 4.15Å |
| 122 | T | 95 | Very high | 81.2 | Confident | 23 Ų | 23 | 78.3 Ų | 78.3 | 14% | 0.141 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 159.5 | 174.3 | -165.4 | 0 | 0 | 0 | 0 | 111.5 | W79 A80 L81 H124 Y132 | W79-T122 HydrophobicContact CH2-CG2 3.77Å; W79-T122 HydrophobicContact CZ2-CG2 4.18Å; W79-T122 HydrophobicContact CZ3-CG2 4.19Å; A80-T122 CarbonylContact C-O 3.6Å; A80-T122 VanDerWaalsContact CA-O 3.27Å; A80-T122 WeakPolarHBondContact CA-O 3.33Å; L81-T122 HydrophobicContact CB-CG2 3.98Å; L81-T122 PolarHBondContact N-O 3.06Å; T122-H124 PolarHBondContact OG1-CD2 2.88Å; T122-H124 PolarHBondContact OG1-CE1 3.15Å; T122-H124 PolarHBondContact OG1-NE2 3.06Å; T122-Y132 HydrophobicContact CG2-CD2 3.78Å; T122-Y132 HydrophobicContact CG2-CG 4.08Å |
| 123 | R | 95.9 | Very high | 83.7 | Confident | 100 Ų | 100 | 73.9 Ų | 73.9 | 38% | 0.377 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 134.2 | 169.3 | 179 | -178.2 | -57.5 | -89.4 | -3.4 | 109.6 | E78 W79 A80 Y82 E120 | E78-R123 IonicContact OE1-CZ 3.88Å; E78-R123 IonicContact OE1-NH1 3.84Å; E78-R123 PolarHBondContact OE1-NH1 2.79Å; W79-R123 WeakPolarHBondContact O-CA 3.3Å; A80-R123 HydrophobicContact CB-CB 4.26Å; A80-R123 HydrophobicContact CB-CG 4.36Å; Y82-R123 PolarHBondContact OH-NH2 2.91Å; E120-R123 VanDerWaalsContact OE1-CB 3.27Å; E120-R123 WeakPolarHBondContact OE1-CB 3.42Å; E120-R123 IonicContact OE1-CZ 2.93Å; E120-R123 IonicContact OE1-NE 2.8Å; E120-R123 PolarHBondContact OE1-NE 2.78Å; E120-R123 IonicContact OE1-NH2 3.36Å; E120-R123 IonicContact OE2-CZ 2.6Å; E120-R123 IonicContact OE2-NE 3.24Å; E120-R123 IonicContact OE2-NH2 3.21Å; E120-R123 PolarHBondContact OE2-NH2 2.81Å |
| 124 | H | 94.5 | Very high | 86.2 | Confident | 71 Ų | 71 | 68.6 Ų | 68.6 | 33% | 0.329 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 154.3 | 176.6 | -57.3 | -81 | 0 | 0 | 0 | 110.9 | E78 W79 T122 M130 | E78-H124 WeakPolarHBondContact CA-O 3.34Å; W79-H124 AromaticContact CE2-CD2 3.78Å; W79-H124 AromaticContact CZ2-CD2 3.58Å; W79-H124 PolarHBondContact N-O 2.64Å; W79-H124 AromaticContact NE1-CD2 3.81Å; W79-H124 PolarHBondContact O-N 2.9Å; T122-H124 PolarHBondContact OG1-CD2 2.88Å; T122-H124 PolarHBondContact OG1-CE1 3.15Å; T122-H124 PolarHBondContact OG1-NE2 3.06Å; H124-M130 HydrophobicContact CB-CB 4.38Å; H124-M130 HydrophobicContact CB-CG 4.16Å; H124-M130 HydrophobicContact CB-SD 3.43Å; H124-M130 WeakPolarHBondContact CB-SD 3.23Å |
| 125 | I | 92.7 | Very high | 88.1 | Confident | 112 Ų | 112 | 71.8 Ų | 71.8 | 57% | 0.574 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 129.7 | 175.3 | -60.3 | 174.7 | 0 | 0 | 0 | 107.5 | V77 E78 V149 | V77-I125 WeakPolarHBondContact O-CA 3.45Å; E78-I125 HydrophobicContact CB-CG1 3.91Å; E78-I125 HydrophobicContact CG-CD1 4.3Å; E78-I125 HydrophobicContact CG-CG1 3.8Å; I125-V149 HydrophobicContact CG2-CG2 4.08Å |
| 126 | G | 90.6 | Very high | 89.7 | Confident | 19 Ų | 19 | 70.2 Ų | 70.2 | 20% | 0.196 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.3 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V77 | V77-G126 PolarHBondContact N-O 3.17Å; V77-G126 VanDerWaalsContact N-O 3.15Å; V77-G126 PolarHBondContact O-N 3.2Å; V77-G126 VanDerWaalsContact O-N 3.1Å |
| 127 | S | 87.7 | Confident | 90.6 | Very high | 49 Ų | 49 | 67.7 Ų | 67.7 | 34% | 0.343 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -89.1 | -20.6 | 175.5 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | D76 | D76-S127 VanDerWaalsContact OD1-CB 3.25Å; D76-S127 WeakPolarHBondContact OD1-CB 3.48Å |
| 128 | N | 88.2 | Confident | 90.7 | Very high | 79 Ų | 79 | 62.1 Ų | 62.1 | 42% | 0.422 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -95.9 | 168.5 | -168.9 | -64.3 | -5.8 | 0 | 0 | 0 | 111.1 | P72 M130 | P72-N128 WeakPolarHBondContact CD-O 3.2Å; N128-M130 WeakPolarHBondContact O-CG 2.98Å; N128-M130 PolarHBondContact O-N 3.45Å |
| 129 | Q | 89.4 | Confident | 90.5 | Very high | 57 Ų | 57 | 59.5 Ų | 59.5 | 27% | 0.266 | 33% | 0.331 | S | S | . | . | trans | -59.8 | 123.6 | 174.2 | -175.1 | 178.6 | 80.8 | 0 | 0 | 110.5 | V69 T71 T264 | V69-Q129 HydrophobicContact CG1-CG 3.32Å; T71-Q129 HydrophobicContact CG2-CB 4.48Å; T71-Q129 PolarHBondContact OG1-NE2 2.53Å; Q129-T264 PolarHBondContact NE2-O 3.36Å; Q129-T264 PolarHBondContact OE1-O 3.23Å | ||
| 130 | M | 92.3 | Very high | 90.2 | Very high | 21 Ų | 21 | 63.3 Ų | 63.3 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 140.7 | 179.3 | -66.8 | 166.9 | -76.7 | 0 | 0 | 109.1 | V69 V70 P72 V77 W79 H124 N128 | V69-M130 CarbonylContact C-O 3.57Å; V69-M130 WeakPolarHBondContact CA-O 3.22Å; V70-M130 PolarHBondContact N-O 2.77Å; V70-M130 PolarHBondContact O-N 3.15Å; P72-M130 HydrophobicContact CG-CE 3.76Å; V77-M130 HydrophobicContact CG2-CE 3.9Å; W79-M130 HydrophobicContact CZ2-CB 4.26Å; W79-M130 VanDerWaalsContact NE1-CB 3.27Å; H124-M130 HydrophobicContact CB-CB 4.38Å; H124-M130 HydrophobicContact CB-CG 4.16Å; H124-M130 HydrophobicContact CB-SD 3.43Å; H124-M130 WeakPolarHBondContact CB-SD 3.23Å; N128-M130 WeakPolarHBondContact O-CG 2.98Å; N128-M130 PolarHBondContact O-N 3.45Å |
| 131 | S | 92.5 | Very high | 89.9 | Confident | 58 Ų | 58 | 61.9 Ų | 61.9 | 41% | 0.406 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 145.5 | -176.7 | 69.2 | 0 | 0 | 0 | 0 | 113.6 | A68 | A68-S131 CarbonylContact O-C 3.4Å; A68-S131 VanDerWaalsContact O-CA 3.24Å; A68-S131 WeakPolarHBondContact O-CA 3.23Å |
| 132 | Y | 93.2 | Very high | 89.8 | Confident | 47 Ų | 47 | 60.2 Ų | 60.2 | 18% | 0.184 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 134.4 | 165.7 | 176.9 | -94.4 | 0 | 0 | 0 | 109.1 | F66 R67 A68 L81 L121 T122 T134 | F66-Y132 HydrophobicContact CD1-CD1 4.1Å; F66-Y132 HydrophobicContact CD1-CE1 4.22Å; F66-Y132 HydrophobicContact CE1-CD1 4.14Å; R67-Y132 WeakPolarHBondContact CA-O 3.37Å; A68-Y132 PolarHBondContact N-O 2.79Å; A68-Y132 PolarHBondContact O-N 2.93Å; L81-Y132 HydrophobicContact CD2-CD1 3.39Å; L81-Y132 HydrophobicContact CD2-CE1 3.77Å; L81-Y132 HydrophobicContact CD2-CG 3.8Å; L121-Y132 HydrophobicContact CB-CE2 4.09Å; L121-Y132 HydrophobicContact CD1-CE1 4.23Å; T122-Y132 HydrophobicContact CG2-CD2 3.78Å; T122-Y132 HydrophobicContact CG2-CG 4.08Å; Y132-T134 HydrophobicContact CE1-CG2 3.83Å |
| 133 | S | 91.7 | Very high | 89.7 | Confident | 72 Ų | 72 | 61.7 Ų | 61.7 | 50% | 0.503 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 135 | 177.5 | -60.7 | 0 | 0 | 0 | 0 | 109.9 | F66 R67 | F66-S133 WeakPolarHBondContact O-CA 3.31Å; R67-S133 WeakPolarHBondContact CD-OG 3.45Å; R67-S133 WeakPolarHBondContact CG-OG 3.32Å; R67-S133 PolarHBondContact NE-OG 3.26Å |
| 134 | T | 91.2 | Very high | 89.6 | Confident | 35 Ų | 35 | 56.9 Ų | 56.9 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 144.7 | 171.9 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | S65 F66 Y132 S136 F137 | S65-T134 CarbonylContact C-O 3.57Å; S65-T134 VanDerWaalsContact CA-O 3.28Å; S65-T134 WeakPolarHBondContact CA-O 3.4Å; F66-T134 HydrophobicContact CB-CG2 3.95Å; F66-T134 HydrophobicContact CD1-CG2 4.41Å; F66-T134 PolarHBondContact N-O 2.84Å; F66-T134 PolarHBondContact O-N 3.11Å; Y132-T134 HydrophobicContact CE1-CG2 3.83Å; T134-S136 PolarHBondContact O-N 3.06Å; T134-S136 PolarHBondContact OG1-N 2.79Å; T134-S136 PolarHBondContact OG1-O 2.9Å; T134-S136 VanDerWaalsContact OG1-O 3.07Å; T134-F137 HydrophobicContact CG2-CB 4.18Å; T134-F137 HydrophobicContact CG2-CD2 4.27Å |
| 135 | N | 88.9 | Confident | 89.6 | Confident | 153 Ų | 153 | 55.1 Ų | 55.1 | 82% | 0.818 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -73.3 | -19.5 | 174.3 | -67.9 | -23.4 | 0 | 0 | 0 | 112.4 | S65 | S65-N135 WeakPolarHBondContact CA-O 3.49Å; S65-N135 PolarHBondContact N-O 2.86Å |
| 136 | S | 87.9 | Confident | 89.6 | Confident | 55 Ų | 55 | 49.8 Ų | 49.8 | 39% | 0.385 | 28% | 0.279 | S | S | . | . | trans | -149.9 | 113.6 | 176.9 | -166.5 | 0 | 0 | 0 | 0 | 111 | T63 T134 S138 | T63-S136 WeakPolarHBondContact CA-OG 3.42Å; T63-S136 PolarHBondContact O-OG 3.09Å; T134-S136 PolarHBondContact O-N 3.06Å; T134-S136 PolarHBondContact OG1-N 2.79Å; T134-S136 PolarHBondContact OG1-O 2.9Å; T134-S136 VanDerWaalsContact OG1-O 3.07Å; S136-S138 PolarHBondContact O-N 2.82Å | ||
| 137 | F | 86.5 | Confident | 89.7 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | trans | -84.5 | 102.5 | 171.9 | -165.9 | -90.5 | 0 | 0 | 0 | 110 | L59 T63 S64 F66 R83 L121 T134 G139 | L59-F137 HydrophobicContact CD1-CD1 4.05Å; L59-F137 HydrophobicContact CD1-CE1 4.12Å; L59-F137 HydrophobicContact CD2-CB 3.88Å; L59-F137 HydrophobicContact CD2-CD1 3.86Å; L59-F137 HydrophobicContact CD2-CG 4.04Å; T63-F137 WeakPolarHBondContact CA-O 3.48Å; T63-F137 PolarHBondContact N-O 2.82Å; S64-F137 PolarHBondContact O-N 2.94Å; F66-F137 HydrophobicContact CB-CB 3.73Å; F66-F137 HydrophobicContact CB-CD2 4.1Å; F66-F137 HydrophobicContact CB-CG 4.22Å; F66-F137 AromaticContact CD1-CD2 3.68Å; F66-F137 HydrophobicContact CD1-CD2 3.68Å; F66-F137 HydrophobicContact CD1-CE2 4.11Å; F66-F137 HydrophobicContact CE1-CD2 4.25Å; F66-F137 HydrophobicContact CE1-CE2 4.22Å; F66-F137 HydrophobicContact CG-CB 4.35Å; F66-F137 AromaticContact CG-CD2 3.88Å; F66-F137 HydrophobicContact CG-CD2 3.88Å; F66-F137 HydrophobicContact CG-CG 4.31Å; R83-F137 HydrophobicContact CB-CZ 4.27Å; L121-F137 HydrophobicContact CD1-CD2 4.27Å; L121-F137 HydrophobicContact CD1-CE2 3.48Å; L121-F137 VanDerWaalsContact CD1-CE2 3.48Å; L121-F137 HydrophobicContact CD1-CZ 4.15Å; T134-F137 HydrophobicContact CG2-CB 4.18Å; T134-F137 HydrophobicContact CG2-CD2 4.27Å; F137-G139 PolarHBondContact O-N 2.65Å | ||
| 138 | S | 82.7 | Confident | 89.8 | Confident | 67 Ų | 67 | 51.1 Ų | 51.1 | 47% | 0.469 | 27% | 0.274 | S | S | . | . | trans | -76.4 | 85.4 | 178.1 | 46.6 | 0 | 0 | 0 | 0 | 111 | R83 S136 | R83-S138 WeakPolarHBondContact CD-O 3.2Å; R83-S138 PolarHBondContact NH1-OG 2.98Å; S136-S138 PolarHBondContact O-N 2.82Å | ||
| 139 | G | 81 | Confident | 89.8 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 22% | 0.216 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 158.7 | 169.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F137 | F137-G139 PolarHBondContact O-N 2.65Š|
| 140 | R | 84.8 | Confident | 89.5 | Confident | 165 Ų | 165 | 49.6 Ų | 49.6 | 62% | 0.623 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -104.6 | -27.3 | 172.2 | -72.4 | -172.1 | -177.8 | -168.4 | -0.1 | 113 | L58 L59 P62 | L58-R140 CarbonylContact C-O 3.57Å; L58-R140 VanDerWaalsContact CA-O 3.31Å; L58-R140 WeakPolarHBondContact CA-O 3.35Å; L58-R140 HydrophobicContact CD1-CB 4.03Å; L58-R140 WeakPolarHBondContact CD1-O 3.43Å; L59-R140 PolarHBondContact N-O 3.18Å; P62-R140 HydrophobicContact CB-CG 3.95Å; P62-R140 HydrophobicContact CG-CG 4.11Å |
| 141 | M | 88.8 | Confident | 89.1 | Confident | 58 Ų | 58 | 55 Ų | 55 | 29% | 0.286 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.9 | -174 | -61.2 | 173.7 | -143.7 | 0 | 0 | 110.7 | F33 F57 L58 R84 | F33-M141 HydrophobicContact CE1-CG 4.36Å; F33-M141 HydrophobicContact CE1-SD 4.3Å; F33-M141 HydrophobicContact CZ-SD 4.38Å; F57-M141 WeakPolarHBondContact O-CA 3.36Å; L58-M141 HydrophobicContact CD1-CG 3.78Å; R84-M141 HydrophobicContact CB-CB 3.89Å; R84-M141 PolarHBondContact N-O 3.17Å |
| 142 | G | 90.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 164.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F57 Y82 | F57-G142 WeakPolarHBondContact CD1-O 3.22Å; F57-G142 VanDerWaalsContact CZ-CA 3.49Å; F57-G142 PolarHBondContact N-O 2.82Å; F57-G142 PolarHBondContact O-N 3.41Å; Y82-G142 CarbonylContact O-C 3.52Å; Y82-G142 WeakPolarHBondContact O-CA 3.28Å |
| 143 | R | 92.8 | Very high | 88.3 | Confident | 54 Ų | 54 | 60.8 Ų | 60.8 | 20% | 0.204 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 129.3 | 178.5 | 174 | 177.7 | -74.4 | -175 | -19.2 | 109.4 | V55 D56 Y82 R84 E118 V145 | V55-R143 CarbonylContact O-C 3.51Å; V55-R143 WeakPolarHBondContact O-CA 3.35Å; D56-R143 WeakPolarHBondContact OD1-CB 3.08Å; D56-R143 IonicContact OD1-CZ 3.22Å; D56-R143 IonicContact OD1-NE 3.27Å; D56-R143 PolarHBondContact OD1-NE 2.81Å; D56-R143 IonicContact OD1-NH2 3.15Å; D56-R143 PolarHBondContact OD1-NH2 3.37Å; D56-R143 IonicContact OD2-CZ 2.79Å; D56-R143 IonicContact OD2-NE 2.77Å; D56-R143 PolarHBondContact OD2-NE 2.81Å; D56-R143 IonicContact OD2-NH2 3.45Å; D56-R143 PolarHBondContact OD2-NH2 2.79Å; Y82-R143 PolarHBondContact N-O 2.79Å; Y82-R143 PolarHBondContact O-N 3.02Å; R84-R143 HydrophobicContact CG-CB 4.38Å; E118-R143 IonicContact OE1-CZ 3.4Å; E118-R143 IonicContact OE1-NE 3.61Å; E118-R143 IonicContact OE1-NH1 3.82Å; E118-R143 PolarHBondContact OE1-NH1 2.93Å; E118-R143 IonicContact OE2-NH1 2.81Å; R143-V145 HydrophobicContact CG-CG2 3.97Å |
| 144 | I | 94.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.5 | 165.7 | -71.3 | 173.4 | 0 | 0 | 0 | 107.6 | S54 V55 F57 A68 W79 A80 L81 L146 I158 L160 | S54-I144 CarbonylContact C-O 3.53Å; S54-I144 WeakPolarHBondContact CA-O 3.2Å; V55-I144 PolarHBondContact N-O 2.88Å; V55-I144 PolarHBondContact O-N 2.96Å; F57-I144 HydrophobicContact CE1-CD1 4.45Å; F57-I144 HydrophobicContact CE1-CG1 4.12Å; A68-I144 HydrophobicContact CB-CD1 4.07Å; W79-I144 HydrophobicContact CE3-CG2 4.13Å; W79-I144 HydrophobicContact CZ3-CD1 4.46Å; W79-I144 HydrophobicContact CZ3-CG1 4.47Å; A80-I144 WeakPolarHBondContact O-CA 3.34Å; L81-I144 HydrophobicContact CD1-CD1 4.34Å; L81-I144 HydrophobicContact CD1-CG1 3.61Å; I144-L146 HydrophobicContact CG2-CD1 3.58Å; I144-L146 HydrophobicContact CG2-CG 4.34Å; I144-I158 HydrophobicContact CD1-CG2 3.6Å; I144-I158 HydrophobicContact CG2-CD1 4.17Å; I144-L160 HydrophobicContact CD1-CD2 3.6Å |
| 145 | V | 94 | Very high | 88.1 | Confident | 34 Ų | 34 | 58.4 Ų | 58.4 | 21% | 0.206 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.4 | 170.8 | -177 | 0 | 0 | 0 | 0 | 107.8 | R53 W79 A80 Y82 R143 | R53-V145 CarbonylContact O-C 3.57Å; R53-V145 WeakPolarHBondContact O-CA 3.22Å; W79-V145 CarbonylContact C-O 3.58Å; W79-V145 WeakPolarHBondContact CA-O 3.21Å; A80-V145 PolarHBondContact N-O 2.91Å; A80-V145 PolarHBondContact O-N 3Å; Y82-V145 HydrophobicContact CD2-CG2 4.03Å; Y82-V145 HydrophobicContact CE2-CB 4.13Å; Y82-V145 HydrophobicContact CE2-CG2 3.66Å; R143-V145 HydrophobicContact CG-CG2 3.97Å |
| 146 | L | 93.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 142.7 | 170.2 | -68.6 | 97.2 | 0 | 0 | 0 | 110.4 | V47 S52 R53 V70 E78 W79 I144 I158 | V47-L146 HydrophobicContact CG2-CB 3.92Å; S52-L146 CarbonylContact C-O 3.5Å; S52-L146 VanDerWaalsContact CA-O 3.27Å; S52-L146 WeakPolarHBondContact CA-O 3.1Å; R53-L146 PolarHBondContact N-O 3.18Å; R53-L146 PolarHBondContact O-N 3.06Å; V70-L146 HydrophobicContact CG1-CD2 3.74Å; E78-L146 CarbonylContact O-C 3.58Å; E78-L146 WeakPolarHBondContact O-CA 3.1Å; W79-L146 HydrophobicContact CB-CG 4.07Å; I144-L146 HydrophobicContact CG2-CD1 3.58Å; I144-L146 HydrophobicContact CG2-CG 4.34Å; L146-I158 HydrophobicContact CD1-CD1 3.28Å; L146-I158 HydrophobicContact CD1-CG1 3.85Å; L146-I158 HydrophobicContact CD2-CG1 4.46Å |
| 147 | K | 91.3 | Very high | 88.6 | Confident | 89 Ų | 89 | 50.2 Ų | 50.2 | 39% | 0.387 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 133 | 175.4 | -176.6 | -178.5 | 175.4 | -169.3 | 0 | 108.9 | V77 E78 V149 | V77-K147 WeakPolarHBondContact CA-O 3.27Å; E78-K147 HydrophobicContact CB-CB 4.36Å; E78-K147 PolarHBondContact N-O 2.89Å; E78-K147 PolarHBondContact O-N 2.8Å; K147-V149 PolarHBondContact O-N 3.26Å |
| 148 | S | 89.8 | Confident | 88.9 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 129.3 | 172.3 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | T150 R152 | S148-T150 PolarHBondContact OG-N 3.18Å; S148-T150 PolarHBondContact OG-O 2.84Å; S148-T150 PolarHBondContact OG-OG1 3.05Å; S148-R152 PolarHBondContact OG-O 2.89Å |
| 149 | V | 88.3 | Confident | 89.4 | Confident | 73 Ų | 73 | 47.3 Ų | 47.3 | 44% | 0.442 | 24% | 0.235 | S | C | . | . | trans | -86.1 | -20.4 | 171.7 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | D76 E78 I125 K147 | D76-V149 HydrophobicContact CB-CB 3.97Å; D76-V149 PolarHBondContact O-N 2.63Å; E78-V149 HydrophobicContact CB-CG2 3.95Å; I125-V149 HydrophobicContact CG2-CG2 4.08Å; K147-V149 PolarHBondContact O-N 3.26Å | ||
| 150 | T | 84.5 | Confident | 90 | Very high | 30 Ų | 30 | 46.4 Ų | 46.4 | 18% | 0.184 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -92.4 | 152.8 | -177.6 | 66 | 0 | 0 | 0 | 0 | 112.3 | C75 D76 S148 R152 | C75-T150 HydrophobicContact CB-CG2 4.35Å; D76-T150 HydrophobicContact CB-CG2 3.99Å; S148-T150 PolarHBondContact OG-N 3.18Å; S148-T150 PolarHBondContact OG-O 2.84Å; S148-T150 PolarHBondContact OG-OG1 3.05Å; T150-R152 PolarHBondContact O-N 3.2Å; T150-R152 WeakPolarHBondContact OG1-CG 3.34Å; T150-R152 PolarHBondContact OG1-O 3.36Å |
| 151 | N | 82.8 | Confident | 90.3 | Very high | 136 Ų | 136 | 38.8 Ų | 38.8 | 73% | 0.727 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -74.9 | 24.1 | 175.8 | -76.5 | -18.5 | 0 | 0 | 0 | 114.1 | Q49 | Q49-N151 VanDerWaalsContact NE2-CG 3.27Å; Q49-N151 PolarHBondContact NE2-OD1 3.34Å |
| 152 | R | 84.6 | Confident | 90.5 | Very high | 145 Ų | 145 | 36.3 Ų | 36.3 | 55% | 0.547 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -135 | 154.3 | 178.2 | 62.8 | -178.7 | -178.7 | -165 | 1.4 | 110.7 | G74 S148 T150 C154 | G74-R152 PolarHBondContact O-NH2 3.47Å; S148-R152 PolarHBondContact OG-O 2.89Å; T150-R152 PolarHBondContact O-N 3.2Å; T150-R152 WeakPolarHBondContact OG1-CG 3.34Å; T150-R152 PolarHBondContact OG1-O 3.36Å; R152-C154 PolarHBondContact O-N 2.92Å |
| 153 | P | 84.9 | Confident | 90.3 | Very high | 80 Ų | 80 | 40.7 Ų | 40.7 | 52% | 0.519 | 21% | 0.205 | S | C | . | . | trans | -54.2 | 131.2 | 170.2 | -23.7 | 33.6 | 0 | 0 | 0 | 110.3 | V47 | V47-P153 WeakPolarHBondContact O-CA 3.43Š| ||
| 154 | C | 87.5 | Confident | 89.7 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131.5 | -177.1 | -176 | 0 | 0 | 0 | 0 | 109.7 | Q46 V47 C75 V77 R152 | Q46-C154 CarbonylContact C-O 3.58Å; Q46-C154 WeakPolarHBondContact CA-O 3.39Å; V47-C154 PolarHBondContact N-O 3.43Å; V47-C154 PolarHBondContact O-N 2.56Å; C75-C154 HydrophobicContact CB-CB 3.78Å; C75-C154 WeakPolarHBondContact CB-SG 3.09Å; C75-C154 WeakPolarHBondContact SG-CA 3.5Å; C75-C154 WeakPolarHBondContact SG-CB 3.19Å; C75-C154 CovalentContact SG-SG 2.01Å; C75-C154 PolarHBondContact SG-SG 2.67Å; V77-C154 HydrophobicContact CG1-CB 4.31Å; V77-C154 WeakPolarHBondContact CG1-SG 3.49Å; R152-C154 PolarHBondContact O-N 2.92Å |
| 155 | V | 91.2 | Very high | 88.7 | Confident | 58 Ų | 58 | 48.2 Ų | 48.2 | 35% | 0.352 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 133.2 | 171.9 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | V45 Q46 C73 | V45-V155 WeakPolarHBondContact O-CA 3.48Å; Q46-V155 HydrophobicContact CB-CG2 4.34Å; Q46-V155 HydrophobicContact CG-CG2 4.24Å; C73-V155 WeakPolarHBondContact CA-O 3.36Å; C73-V155 HydrophobicContact CB-CB 4.46Å; C73-V155 WeakPolarHBondContact CB-O 3.48Å; C73-V155 PolarHBondContact N-O 2.73Å |
| 156 | S | 92.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 145.6 | 176.7 | -68.5 | 0 | 0 | 0 | 0 | 110.6 | V45 T71 V77 | V45-S156 PolarHBondContact N-O 3.13Å; V45-S156 PolarHBondContact O-N 3.4Å; T71-S156 WeakPolarHBondContact O-CA 3.37Å; V77-S156 WeakPolarHBondContact CG1-OG 3.35Å |
| 157 | Q | 93.7 | Very high | 87.4 | Confident | 36 Ų | 36 | 52.9 Ų | 52.9 | 17% | 0.168 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.9 | 172.7 | -80.6 | -178 | -9.7 | 0 | 0 | 110.5 | L42 L43 N44 V70 T71 C220 | L42-Q157 HydrophobicContact CD1-CB 4.1Å; L42-Q157 HydrophobicContact CD1-CG 4.4Å; L43-Q157 CarbonylContact O-C 3.56Å; L43-Q157 VanDerWaalsContact O-CA 3.32Å; L43-Q157 WeakPolarHBondContact O-CA 3.39Å; N44-Q157 WeakPolarHBondContact OD1-CG 3.13Å; N44-Q157 PolarHBondContact OD1-NE2 2.86Å; N44-Q157 VanDerWaalsContact OD1-NE2 3.09Å; V70-Q157 CarbonylContact C-O 3.51Å; V70-Q157 WeakPolarHBondContact CA-O 3.4Å; T71-Q157 PolarHBondContact N-O 3.5Å; T71-Q157 PolarHBondContact O-N 2.9Å; Q157-C220 HydrophobicContact CG-CB 4.26Å |
| 158 | I | 93.9 | Very high | 87 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 118.9 | 170.2 | -48.7 | 172.2 | 0 | 0 | 0 | 108 | L42 L43 V45 V55 I144 L146 L160 | L42-I158 CarbonylContact C-O 3.56Å; L42-I158 WeakPolarHBondContact CA-O 3.46Å; L43-I158 HydrophobicContact CB-CB 4.34Å; L43-I158 PolarHBondContact N-O 3.28Å; L43-I158 PolarHBondContact O-N 3.03Å; V45-I158 HydrophobicContact CB-CD1 4.37Å; V45-I158 HydrophobicContact CG2-CD1 3.55Å; V45-I158 HydrophobicContact CG2-CG1 4.11Å; V55-I158 HydrophobicContact CB-CD1 4.33Å; V55-I158 HydrophobicContact CG2-CD1 3.71Å; I144-I158 HydrophobicContact CD1-CG2 3.6Å; I144-I158 HydrophobicContact CG2-CD1 4.17Å; L146-I158 HydrophobicContact CD1-CD1 3.28Å; L146-I158 HydrophobicContact CD1-CG1 3.85Å; L146-I158 HydrophobicContact CD2-CG1 4.46Å; I158-L160 HydrophobicContact CG2-CD2 4.25Å; I158-L160 HydrophobicContact CG2-CG 4.11Å |
| 159 | R | 93.6 | Very high | 86.8 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 3% | 0.03 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128.8 | 172.1 | 158.8 | 179.5 | -175 | 66.7 | 4.6 | 109.1 | K41 L42 A68 V69 E164 T261 I262 | K41-R159 CarbonylContact O-C 3.59Å; K41-R159 WeakPolarHBondContact O-CA 3.41Å; L42-R159 HydrophobicContact CD1-CB 4.04Å; A68-R159 CarbonylContact C-O 3.53Å; A68-R159 WeakPolarHBondContact CA-O 3.46Å; V69-R159 HydrophobicContact CB-CB 4.1Å; V69-R159 HydrophobicContact CB-CG 4.3Å; V69-R159 HydrophobicContact CG2-CG 4.46Å; V69-R159 PolarHBondContact N-O 2.83Å; V69-R159 PolarHBondContact O-N 3.39Å; R159-E164 IonicContact CZ-OE1 2.78Å; R159-E164 IonicContact NH2-OE1 3.38Å; R159-E164 PolarHBondContact NH2-OE1 2.76Å; R159-E164 IonicContact NH2-OE2 2.91Å; R159-T261 PolarHBondContact NH1-O 2.87Å; R159-T261 PolarHBondContact NH2-O 3.05Å; R159-I262 PolarHBondContact NH1-O 3.1Å; R159-I262 VanDerWaalsContact NH1-O 3.13Å |
| 160 | L | 93.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.7 | 176.6 | -65.1 | 177.1 | 0 | 0 | 0 | 109.7 | L34 L36 P40 K41 F57 F66 A68 I144 I158 | L34-L160 HydrophobicContact CD2-CD1 4.03Å; L36-L160 HydrophobicContact CD1-CB 3.96Å; L36-L160 HydrophobicContact CD1-CD1 4.2Å; L36-L160 HydrophobicContact CD2-CB 3.71Å; L36-L160 HydrophobicContact CD2-CD1 4.08Å; P40-L160 WeakPolarHBondContact CA-O 3.5Å; K41-L160 PolarHBondContact N-O 3.18Å; K41-L160 PolarHBondContact O-N 3.1Å; F57-L160 HydrophobicContact CB-CD1 4.25Å; F57-L160 HydrophobicContact CD1-CD1 3.99Å; F57-L160 HydrophobicContact CG-CD1 4.06Å; F66-L160 HydrophobicContact CE2-CD2 4.05Å; F66-L160 HydrophobicContact CZ-CD2 3.77Å; A68-L160 HydrophobicContact CB-CD2 3.78Å; I144-L160 HydrophobicContact CD1-CD2 3.6Å; I158-L160 HydrophobicContact CG2-CD2 4.25Å; I158-L160 HydrophobicContact CG2-CG 4.11Å |
| 161 | A | 91.5 | Very high | 86.4 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 147.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | P40 F66 R67 E164 | P40-A161 HydrophobicContact CB-CB 4.14Å; F66-A161 WeakPolarHBondContact CA-O 3.43Å; R67-A161 PolarHBondContact N-O 3.1Å; R67-A161 PolarHBondContact O-N 3.33Å; A161-E164 HydrophobicContact CB-CB 4.37Å |
| 162 | I | 91.1 | Very high | 86.3 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 157.6 | 168.6 | 61.5 | 172.1 | 0 | 0 | 0 | 110.3 | H37 L59 S65 F66 E164 | H37-I162 WeakPolarHBondContact O-CD1 3.31Å; H37-I162 VanDerWaalsContact O-CG1 3.24Å; H37-I162 WeakPolarHBondContact O-CG1 3.42Å; L59-I162 HydrophobicContact CD2-CG2 3.91Å; L59-I162 HydrophobicContact CG-CG2 4.09Å; S65-I162 CarbonylContact O-C 3.6Å; S65-I162 WeakPolarHBondContact O-CA 3.26Å; F66-I162 HydrophobicContact CD2-CG2 4.1Å; I162-E164 PolarHBondContact O-N 3.28Å |
| 163 | K | 86.8 | Confident | 86.1 | Confident | 93 Ų | 93 | 44 Ų | 44 | 40% | 0.404 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 58.9 | 12.3 | -177.2 | -60.8 | -176.7 | -179.2 | 167.7 | 0 | 115.8 | D38 Q61 S65 K165 | D38-K163 VanDerWaalsContact CG-NZ 3.34Å; D38-K163 WeakPolarHBondContact OD1-CE 3.41Å; D38-K163 IonicContact OD1-NZ 3.79Å; D38-K163 PolarHBondContact OD1-NZ 2.78Å; D38-K163 VanDerWaalsContact OD1-NZ 3.14Å; D38-K163 IonicContact OD2-NZ 2.86Å; D38-K163 PolarHBondContact OD2-NZ 2.79Å; Q61-K163 VanDerWaalsContact CD-CE 3.48Å; Q61-K163 VanDerWaalsContact CD-NZ 3.34Å; S65-K163 PolarHBondContact O-N 2.87Å; S65-K163 WeakPolarHBondContact OG-CA 3.44Å; S65-K163 PolarHBondContact OG-N 2.85Å; K163-K165 PolarHBondContact O-N 3.1Å |
| 164 | E | 81.5 | Confident | 86 | Confident | 32 Ų | 32 | 44.8 Ų | 44.8 | 15% | 0.15 | 23% | 0.226 | C | C | . | . | trans | -76.4 | 116.2 | 172.4 | -164.5 | 171.2 | -132.5 | 0 | 0 | 108 | S65 R67 R159 A161 I162 | S65-E164 PolarHBondContact OG-N 3.21Å; S65-E164 PolarHBondContact OG-O 2.8Å; R67-E164 WeakPolarHBondContact CD-OE2 3.38Å; R67-E164 IonicContact NH1-OE2 3.43Å; R67-E164 PolarHBondContact NH1-OE2 2.94Å; R159-E164 IonicContact CZ-OE1 2.78Å; R159-E164 IonicContact NH2-OE1 3.38Å; R159-E164 PolarHBondContact NH2-OE1 2.76Å; R159-E164 IonicContact NH2-OE2 2.91Å; A161-E164 HydrophobicContact CB-CB 4.37Å; I162-E164 PolarHBondContact O-N 3.28Å | ||
| 165 | K | 71.6 | Confident | 86 | Confident | 180 Ų | 180 | 48.2 Ų | 48.2 | 78% | 0.783 | 24% | 0.239 | S | C | * | . | trans | -91.8 | -37.7 | -178.5 | -71.5 | -174.1 | 178.6 | -178.7 | 0 | 113.1 | K163 | K163-K165 PolarHBondContact O-N 3.1Š| ||
| 166 | H | 77.8 | Confident | 86 | Confident | 122 Ų | 122 | 46.2 Ų | 46.2 | 57% | 0.565 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -126 | 129.4 | -177 | -61.6 | -61.3 | 0 | 0 | 0 | 110 | L171 | H166-L171 HydrophobicContact CB-CD1 4.38Å; H166-L171 HydrophobicContact CB-CD2 4.38Å; H166-L171 HydrophobicContact CB-CG 4.4Å |
| 167 | S | 82.9 | Confident | 86.1 | Confident | 9 Ų | 9 | 47.1 Ų | 47.1 | 6% | 0.063 | 24% | 0.236 | C | C | . | . | trans | -79.7 | 139.5 | 174.8 | 147.2 | 0 | 0 | 0 | 0 | 110.2 | R67 A169 Q170 L171 E263 | R67-S167 VanDerWaalsContact CZ-CB 3.44Å; R67-S167 VanDerWaalsContact NH1-CB 3.29Å; R67-S167 VanDerWaalsContact NH2-CB 3.35Å; R67-S167 PolarHBondContact NH2-OG 3.46Å; S167-A169 PolarHBondContact O-N 3.04Å; S167-A169 VanDerWaalsContact OG-CB 3.32Å; S167-A169 WeakPolarHBondContact OG-CB 3.41Å; S167-A169 PolarHBondContact OG-N 2.76Å; S167-Q170 WeakPolarHBondContact O-CB 3.38Å; S167-Q170 PolarHBondContact O-N 2.86Å; S167-Q170 PolarHBondContact OG-N 2.88Å; S167-L171 WeakPolarHBondContact O-CG 3.43Å; S167-L171 PolarHBondContact O-N 2.82Å; S167-E263 PolarHBondContact OG-OE1 2.82Å | ||
| 168 | L | 83.7 | Confident | 86 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.7 | -35.8 | 170.4 | -173.5 | 62.2 | 0 | 0 | 0 | 111 | Q170 L171 L172 I201 L204 A256 R258 E263 V265 | L168-Q170 VanDerWaalsContact C-N 3.27Å; L168-Q170 PolarHBondContact O-N 2.03Å; L168-L171 CarbonylContact O-C 3.57Å; L168-L171 PolarHBondContact O-N 2.8Å; L168-L171 VanDerWaalsContact O-N 3.14Å; L168-L172 HydrophobicContact CD1-CD1 3.82Å; L168-L172 HydrophobicContact CD1-CG 4.15Å; L168-L172 HydrophobicContact CD2-CD1 4.46Å; L168-L172 HydrophobicContact CG-CD1 3.86Å; L168-L172 HydrophobicContact CG-CG 4.44Å; L168-L172 PolarHBondContact O-N 2.78Å; L168-I201 HydrophobicContact CD1-CD1 4.13Å; L168-L204 HydrophobicContact CD1-CD1 3.81Å; L168-L204 HydrophobicContact CD2-CD1 4.06Å; L168-A256 HydrophobicContact CD2-CB 4.11Å; L168-R258 HydrophobicContact CD2-CB 3.94Å; L168-E263 HydrophobicContact CB-CB 4.29Å; L168-E263 VanDerWaalsContact CB-CD 3.41Å; L168-E263 HydrophobicContact CB-CG 3.9Å; L168-E263 VanDerWaalsContact CB-OE2 3.25Å; L168-E263 WeakPolarHBondContact CB-OE2 3.49Å; L168-E263 VanDerWaalsContact N-CD 3.26Å; L168-E263 PolarHBondContact N-OE1 3.22Å; L168-E263 PolarHBondContact N-OE2 3.44Å; L168-V265 HydrophobicContact CB-CG2 3.79Å; L168-V265 HydrophobicContact CD2-CB 4.45Å; L168-V265 HydrophobicContact CD2-CG2 3.88Å; L168-V265 HydrophobicContact CG-CG2 3.79Å |
| 169 | A | 84.2 | Confident | 86 | Confident | 24 Ų | 24 | 54.6 Ų | 54.6 | 20% | 0.198 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.8 | -29.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | S167 R175 V265 | S167-A169 PolarHBondContact O-N 3.04Å; S167-A169 VanDerWaalsContact OG-CB 3.32Å; S167-A169 WeakPolarHBondContact OG-CB 3.41Å; S167-A169 PolarHBondContact OG-N 2.76Å; A169-R175 PolarHBondContact O-NH2 3.13Å; A169-R175 VanDerWaalsContact O-NH2 3.13Å; A169-V265 HydrophobicContact CB-CG1 4.27Å; A169-V265 HydrophobicContact CB-CG2 3.91Å |
| 170 | Q | 83.6 | Confident | 85.8 | Confident | 131 Ų | 131 | 61.8 Ų | 61.8 | 61% | 0.612 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -78.3 | -32.7 | 172.9 | -69.5 | 171.6 | -23.8 | 0 | 0 | 112.1 | S167 L168 L172 | S167-Q170 WeakPolarHBondContact O-CB 3.38Å; S167-Q170 PolarHBondContact O-N 2.86Å; S167-Q170 PolarHBondContact OG-N 2.88Å; L168-Q170 VanDerWaalsContact C-N 3.27Å; L168-Q170 PolarHBondContact O-N 2.03Å; Q170-L172 VanDerWaalsContact C-N 3.27Å |
| 171 | L | 80.8 | Confident | 85.4 | Confident | 54 Ų | 54 | 64.5 Ų | 64.5 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -75.7 | -17 | 177.3 | -64.4 | 173.7 | 0 | 0 | 0 | 112.6 | H166 S167 L168 P173 L195 I201 | H166-L171 HydrophobicContact CB-CD1 4.38Å; H166-L171 HydrophobicContact CB-CD2 4.38Å; H166-L171 HydrophobicContact CB-CG 4.4Å; S167-L171 WeakPolarHBondContact O-CG 3.43Å; S167-L171 PolarHBondContact O-N 2.82Å; L168-L171 CarbonylContact O-C 3.57Å; L168-L171 PolarHBondContact O-N 2.8Å; L168-L171 VanDerWaalsContact O-N 3.14Å; L171-P173 VanDerWaalsContact C-CD 3.4Å; L171-P173 WeakPolarHBondContact O-CD 3.13Å; L171-L195 WeakPolarHBondContact O-CD1 2.99Å; L171-I201 HydrophobicContact CB-CD1 4.15Å; L171-I201 HydrophobicContact CD1-CD1 3.96Å |
| 172 | L | 82.3 | Confident | 85 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | trans | -122.3 | 70.9 | 179.4 | -58.8 | 176.8 | 0 | 0 | 0 | 111.6 | L168 Q170 R175 L195 E198 A256 F267 | L168-L172 HydrophobicContact CD1-CD1 3.82Å; L168-L172 HydrophobicContact CD1-CG 4.15Å; L168-L172 HydrophobicContact CD2-CD1 4.46Å; L168-L172 HydrophobicContact CG-CD1 3.86Å; L168-L172 HydrophobicContact CG-CG 4.44Å; L168-L172 PolarHBondContact O-N 2.78Å; Q170-L172 VanDerWaalsContact C-N 3.27Å; L172-R175 PolarHBondContact O-NE 2.77Å; L172-L195 HydrophobicContact CD2-CD1 4.24Å; L172-E198 HydrophobicContact CD2-CG 4.34Å; L172-A256 HydrophobicContact CD1-CB 3.4Å; L172-A256 VanDerWaalsContact CD1-CB 3.4Å; L172-F267 HydrophobicContact CD1-CE2 4.06Å; L172-F267 HydrophobicContact CD1-CZ 4.27Å | ||
| 173 | P | 78.8 | Confident | 84.1 | Confident | 85 Ų | 85 | 69.6 Ų | 69.6 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | trans | -63.1 | -40.4 | 175.3 | 21.8 | -36.8 | 0 | 0 | 0 | 114.3 | L171 L195 | L171-P173 VanDerWaalsContact C-CD 3.4Å; L171-P173 WeakPolarHBondContact O-CD 3.13Å; P173-L195 HydrophobicContact CG-CD1 3.99Å | ||
| 174 | N | 83.9 | Confident | 83.3 | Confident | 96 Ų | 96 | 72.5 Ų | 72.5 | 51% | 0.513 | 37% | 0.368 | S | S | . | . | trans | -91.4 | 126.9 | -179.4 | -65.9 | -19.1 | 0 | 0 | 0 | 109.7 | D193 | N174-D193 HydrophobicContact CB-CB 3.91Š| ||
| 175 | R | 88 | Confident | 82.7 | Confident | 71 Ų | 71 | 72.7 Ų | 72.7 | 27% | 0.268 | 37% | 0.37 | S | S | . | . | trans | -132.3 | 18.9 | -171.2 | -60.5 | -165.5 | -165.6 | 170.2 | 9.2 | 113.4 | A169 L172 P266 F267 D268 | A169-R175 PolarHBondContact O-NH2 3.13Å; A169-R175 VanDerWaalsContact O-NH2 3.13Å; L172-R175 PolarHBondContact O-NE 2.77Å; R175-P266 VanDerWaalsContact CD-O 3.24Å; R175-P266 WeakPolarHBondContact CD-O 3.44Å; R175-P266 PolarHBondContact NH1-O 2.85Å; R175-F267 HydrophobicContact CB-CB 4.44Å; R175-F267 HydrophobicContact CB-CD1 4.08Å; R175-F267 HydrophobicContact CB-CE1 4.49Å; R175-F267 HydrophobicContact CB-CG 4.15Å; R175-F267 WeakPolarHBondContact O-CD1 3.23Å; R175-D268 WeakPolarHBondContact O-CB 3.41Å; R175-D268 PolarHBondContact O-N 2.93Å | ||
| 176 | G | 91.1 | Very high | 82.8 | Confident | 16 Ų | 16 | 64.7 Ų | 64.7 | 17% | 0.165 | 34% | 0.339 | C | S | . | . | trans | -64.8 | 137.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | W192 D193 D268 | G176-W192 WeakPolarHBondContact O-CA 3.46Å; G176-D193 VanDerWaalsContact CA-OD2 3.26Å; G176-D193 WeakPolarHBondContact CA-OD2 3.47Å; G176-D193 PolarHBondContact N-OD2 2.95Å; G176-D193 PolarHBondContact O-N 2.94Å; G176-D268 WeakPolarHBondContact CA-OD2 3.38Å | ||
| 177 | V | 93.5 | Very high | 83 | Confident | 20 Ų | 20 | 59.3 Ų | 59.3 | 12% | 0.121 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 132.5 | 171.4 | 177.4 | 0 | 0 | 0 | 0 | 108.5 | I190 Y191 W192 L252 V254 F267 D268 A270 | V177-I190 HydrophobicContact CG1-CG2 4.1Å; V177-Y191 WeakPolarHBondContact CA-O 3.45Å; V177-W192 HydrophobicContact CG2-CB 4.25Å; V177-L252 HydrophobicContact CG1-CD2 3.82Å; V177-V254 HydrophobicContact CG1-CG2 4.08Å; V177-V254 HydrophobicContact CG2-CB 4.02Å; V177-V254 HydrophobicContact CG2-CG2 3.9Å; V177-F267 HydrophobicContact CG2-CB 3.88Å; V177-F267 HydrophobicContact CG2-CD1 4.19Å; V177-D268 WeakPolarHBondContact CB-O 3.1Å; V177-D268 WeakPolarHBondContact CG2-O 3.31Å; V177-A270 HydrophobicContact CG1-CB 4.4Å |
| 178 | R | 92.8 | Very high | 83.2 | Confident | 151 Ų | 151 | 59 Ų | 59 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 138.8 | 177.9 | -68.3 | 177.7 | -73.6 | 172.7 | -5.3 | 109.3 | Y191 | R178-Y191 PolarHBondContact N-O 2.88Å; R178-Y191 PolarHBondContact O-N 2.73Å |
| 179 | V | 92.7 | Very high | 83.4 | Confident | 41 Ų | 41 | 60 Ų | 60 | 25% | 0.248 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 133.5 | 178 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | V188 I190 L252 A270 F272 | V179-V188 HydrophobicContact CG1-CG1 3.26Å; V179-I190 HydrophobicContact CG2-CG1 4.49Å; V179-L252 HydrophobicContact CG2-CD2 3.76Å; V179-A270 HydrophobicContact CG2-CB 3.8Å; V179-F272 HydrophobicContact CB-CD1 4.41Å; V179-F272 HydrophobicContact CG1-CB 4.28Å; V179-F272 HydrophobicContact CG1-CD1 3.74Å; V179-F272 HydrophobicContact CG1-CE1 4.21Å; V179-F272 HydrophobicContact CG1-CG 3.99Å; V179-F272 HydrophobicContact CG2-CD1 4.24Å |
| 180 | R | 89.8 | Confident | 83.7 | Confident | 160 Ų | 160 | 58.9 Ų | 58.9 | 60% | 0.604 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 133.3 | 171.3 | -66.7 | -174.6 | 169 | 174.4 | -4.5 | 109.3 | V188 T189 Y191 | R180-V188 CarbonylContact O-C 3.6Å; R180-V188 WeakPolarHBondContact O-CA 3.45Å; R180-T189 PolarHBondContact N-O 2.83Å; R180-T189 PolarHBondContact O-N 3.48Å; R180-Y191 HydrophobicContact CB-CE2 4.03Å; R180-Y191 HydrophobicContact CG-CD2 4.44Å; R180-Y191 HydrophobicContact CG-CE2 3.92Å |
| 181 | Q | 86.2 | Confident | 84.1 | Confident | 58 Ų | 58 | 55.9 Ų | 55.9 | 27% | 0.271 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 133 | 170.3 | -169.6 | 168 | 23.6 | 0 | 0 | 109.5 | G186 S187 V188 T273 T275 | Q181-G186 PolarHBondContact NE2-O 2.97Å; Q181-S187 CarbonylContact C-O 3.6Å; Q181-S187 WeakPolarHBondContact CA-O 3.39Å; Q181-V188 HydrophobicContact CB-CG2 4.48Å; Q181-V188 HydrophobicContact CG-CG2 4.14Å; Q181-T273 PolarHBondContact OE1-O 3.15Å; Q181-T275 VanDerWaalsContact OE1-N 3.08Å; Q181-T275 PolarHBondContact OE1-OG1 3.12Å |
| 182 | S | 81.1 | Confident | 84.5 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 23% | 0.231 | 28% | 0.281 | C | S | . | . | trans | -73.8 | 130.2 | 172.8 | 168.7 | 0 | 0 | 0 | 0 | 110.2 | D184 D185 G186 S187 N276 | S182-D184 VanDerWaalsContact C-N 3.28Å; S182-D184 PolarHBondContact OG-N 3.14Å; S182-D185 WeakPolarHBondContact CB-OD1 3.42Å; S182-D185 PolarHBondContact OG-N 2.95Å; S182-D185 PolarHBondContact OG-OD1 2.8Å; S182-G186 VanDerWaalsContact O-CA 3.22Å; S182-G186 WeakPolarHBondContact O-CA 2.95Å; S182-G186 PolarHBondContact O-N 3.1Å; S182-S187 WeakPolarHBondContact CB-OG 3.42Å; S182-S187 PolarHBondContact N-O 2.83Å; S182-N276 PolarHBondContact O-ND2 3.19Å | ||
| 183 | A | 73.5 | Confident | 84.6 | Confident | 85 Ų | 85 | 56 Ų | 56 | 70% | 0.702 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -21.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N276 | A183-N276 VanDerWaalsContact C-ND2 3.27Å; A183-N276 PolarHBondContact O-ND2 2.81Å |
| 184 | D | 69.4 | Low | 84.2 | Confident | 153 Ų | 153 | 53.9 Ų | 53.9 | 82% | 0.818 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -45.3 | -172.4 | -59.3 | -34.4 | 0 | 0 | 0 | 112.2 | S182 | S182-D184 VanDerWaalsContact C-N 3.28Å; S182-D184 PolarHBondContact OG-N 3.14Å |
| 185 | D | 69.3 | Low | 83.2 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 19% | 0.193 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 1.7 | -174.7 | 70.8 | -8.4 | 0 | 0 | 0 | 113.3 | S182 S187 S279 | S182-D185 WeakPolarHBondContact CB-OD1 3.42Å; S182-D185 PolarHBondContact OG-N 2.95Å; S182-D185 PolarHBondContact OG-OD1 2.8Å; D185-S187 VanDerWaalsContact CG-OG 3.3Å; D185-S187 PolarHBondContact O-N 3Å; D185-S187 VanDerWaalsContact OD1-CB 3.23Å; D185-S187 WeakPolarHBondContact OD1-CB 3.22Å; D185-S187 PolarHBondContact OD1-N 3.23Å; D185-S187 PolarHBondContact OD1-OG 3.48Å; D185-S187 PolarHBondContact OD2-OG 3.02Å; D185-S279 VanDerWaalsContact CA-OG 3.23Å; D185-S279 WeakPolarHBondContact CA-OG 3.05Å; D185-S279 PolarHBondContact O-OG 2.83Å |
| 186 | G | 74.4 | Confident | 81.7 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 13% | 0.134 | 29% | 0.29 | C | S | . | . | trans | 67.9 | 4.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q181 S182 N276 | Q181-G186 PolarHBondContact NE2-O 2.97Å; S182-G186 VanDerWaalsContact O-CA 3.22Å; S182-G186 WeakPolarHBondContact O-CA 2.95Å; S182-G186 PolarHBondContact O-N 3.1Å; G186-N276 PolarHBondContact N-ND2 3.31Å | ||
| 187 | S | 81.1 | Confident | 80.1 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 6% | 0.063 | 31% | 0.305 | C | S | . | . | trans | -63.1 | 149 | 177.1 | 66.2 | 0 | 0 | 0 | 0 | 110.8 | Q181 S182 D185 L241 | Q181-S187 CarbonylContact C-O 3.6Å; Q181-S187 WeakPolarHBondContact CA-O 3.39Å; S182-S187 WeakPolarHBondContact CB-OG 3.42Å; S182-S187 PolarHBondContact N-O 2.83Å; D185-S187 VanDerWaalsContact CG-OG 3.3Å; D185-S187 PolarHBondContact O-N 3Å; D185-S187 VanDerWaalsContact OD1-CB 3.23Å; D185-S187 WeakPolarHBondContact OD1-CB 3.22Å; D185-S187 PolarHBondContact OD1-N 3.23Å; D185-S187 PolarHBondContact OD1-OG 3.48Å; D185-S187 PolarHBondContact OD2-OG 3.02Å; S187-L241 CarbonylContact C-O 3.58Å; S187-L241 WeakPolarHBondContact CA-O 3.25Å | ||
| 188 | V | 86.4 | Confident | 78.3 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 112.8 | -177.3 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | V179 R180 Q181 T240 L241 L244 F272 T274 | V179-V188 HydrophobicContact CG1-CG1 3.26Å; R180-V188 CarbonylContact O-C 3.6Å; R180-V188 WeakPolarHBondContact O-CA 3.45Å; Q181-V188 HydrophobicContact CB-CG2 4.48Å; Q181-V188 HydrophobicContact CG-CG2 4.14Å; V188-T240 WeakPolarHBondContact O-CA 2.98Å; V188-L241 PolarHBondContact N-O 3.04Å; V188-L241 PolarHBondContact O-N 3.2Å; V188-L244 HydrophobicContact CB-CD1 4.28Å; V188-L244 HydrophobicContact CG2-CD1 4Å; V188-F272 HydrophobicContact CB-CE2 4.23Å; V188-F272 HydrophobicContact CB-CZ 4.42Å; V188-F272 HydrophobicContact CG1-CD1 4.48Å; V188-F272 HydrophobicContact CG1-CD2 4.18Å; V188-F272 HydrophobicContact CG1-CE1 4.12Å; V188-F272 HydrophobicContact CG1-CE2 3.82Å; V188-F272 HydrophobicContact CG1-CZ 3.77Å; V188-F272 HydrophobicContact CG2-CD2 4.11Å; V188-F272 HydrophobicContact CG2-CE2 3.73Å; V188-F272 HydrophobicContact CG2-CZ 4.4Å; V188-T274 HydrophobicContact CG2-CG2 4.5Å |
| 189 | T | 88.1 | Confident | 76.5 | Confident | 22 Ų | 22 | 56 Ų | 56 | 14% | 0.135 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 122 | 175.2 | -54.1 | 0 | 0 | 0 | 0 | 110.2 | R180 Y191 T238 L239 T240 | R180-T189 PolarHBondContact N-O 2.83Å; R180-T189 PolarHBondContact O-N 3.48Å; T189-Y191 HydrophobicContact CG2-CD2 4.16Å; T189-Y191 HydrophobicContact CG2-CE1 4.21Å; T189-Y191 HydrophobicContact CG2-CE2 3.48Å; T189-Y191 VanDerWaalsContact CG2-CE2 3.48Å; T189-Y191 VanDerWaalsContact CG2-CZ 3.5Å; T189-T238 HydrophobicContact CG2-CG2 4.27Å; T189-L239 CarbonylContact C-O 3.58Å; T189-L239 WeakPolarHBondContact CA-O 3Å; T189-T240 PolarHBondContact OG1-OG1 2.73Å; T189-T240 VanDerWaalsContact OG1-OG1 3.09Å |
| 190 | I | 91.3 | Very high | 74.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 129.5 | 175.5 | -57.3 | 165.6 | 0 | 0 | 0 | 107.7 | V177 V179 W192 F208 T238 L239 L241 L252 | V177-I190 HydrophobicContact CG1-CG2 4.1Å; V179-I190 HydrophobicContact CG2-CG1 4.49Å; I190-W192 HydrophobicContact CG2-CE3 4.31Å; I190-F208 HydrophobicContact CD1-CD1 4.39Å; I190-F208 HydrophobicContact CG2-CD1 4.23Å; I190-F208 HydrophobicContact CG2-CE1 4.03Å; I190-T238 CarbonylContact O-C 3.57Å; I190-T238 WeakPolarHBondContact O-CA 3.44Å; I190-L239 HydrophobicContact CB-CB 4.39Å; I190-L239 HydrophobicContact CD1-CD2 4.3Å; I190-L239 PolarHBondContact N-O 2.89Å; I190-L239 PolarHBondContact O-N 3.28Å; I190-L241 HydrophobicContact CD1-CD1 3.88Å; I190-L241 HydrophobicContact CD1-CG 4.36Å; I190-L252 HydrophobicContact CB-CD2 4.38Å; I190-L252 HydrophobicContact CD1-CD1 3.74Å; I190-L252 HydrophobicContact CD1-CD2 3.73Å; I190-L252 HydrophobicContact CD1-CG 4.4Å; I190-L252 HydrophobicContact CG1-CD2 3.81Å; I190-L252 HydrophobicContact CG2-CD2 3.66Å |
| 191 | Y | 91.1 | Very high | 74.1 | Confident | 68 Ų | 68 | 50.9 Ų | 50.9 | 27% | 0.267 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 138.5 | 172.9 | -56.5 | -100.8 | 0 | 0 | 0 | 107.6 | V177 R178 R180 T189 T238 | V177-Y191 WeakPolarHBondContact CA-O 3.45Å; R178-Y191 PolarHBondContact N-O 2.88Å; R178-Y191 PolarHBondContact O-N 2.73Å; R180-Y191 HydrophobicContact CB-CE2 4.03Å; R180-Y191 HydrophobicContact CG-CD2 4.44Å; R180-Y191 HydrophobicContact CG-CE2 3.92Å; T189-Y191 HydrophobicContact CG2-CD2 4.16Å; T189-Y191 HydrophobicContact CG2-CE1 4.21Å; T189-Y191 HydrophobicContact CG2-CE2 3.48Å; T189-Y191 VanDerWaalsContact CG2-CE2 3.48Å; T189-Y191 VanDerWaalsContact CG2-CZ 3.5Å; Y191-T238 HydrophobicContact CD1-CG2 3.37Å; Y191-T238 HydrophobicContact CE1-CG2 3.32Å; Y191-T238 HydrophobicContact CG-CG2 4.24Å |
| 192 | W | 89.4 | Confident | 73.3 | Confident | 8 Ų | 8 | 53.1 Ų | 53.1 | 3% | 0.03 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 153.7 | 172.3 | 62.4 | 99.2 | 0 | 0 | 0 | 109.6 | G176 V177 I190 Q194 Y206 F208 I231 R236 L239 F267 | G176-W192 WeakPolarHBondContact O-CA 3.46Å; V177-W192 HydrophobicContact CG2-CB 4.25Å; I190-W192 HydrophobicContact CG2-CE3 4.31Å; W192-Q194 PolarHBondContact O-N 3.31Å; W192-Y206 AromaticContact CD1-CD1 3.77Å; W192-Y206 AromaticContact CD1-CE1 3.52Å; W192-Y206 AromaticContact CD1-CZ 3.84Å; W192-Y206 HydrophobicContact CZ2-CD2 4.25Å; W192-Y206 HydrophobicContact CZ2-CG 4.37Å; W192-Y206 AromaticContact NE1-CD1 3.5Å; W192-Y206 AromaticContact NE1-CD2 3.57Å; W192-Y206 AromaticContact NE1-CE1 3.43Å; W192-Y206 AromaticContact NE1-CE2 3.51Å; W192-Y206 AromaticContact NE1-CG 3.56Å; W192-Y206 AromaticContact NE1-CZ 3.43Å; W192-F208 HydrophobicContact CD2-CE1 4.07Å; W192-F208 AromaticContact CD2-CZ 3.85Å; W192-F208 HydrophobicContact CD2-CZ 3.85Å; W192-F208 AromaticContact CE2-CZ 3.95Å; W192-F208 AromaticContact CE3-CE1 3.58Å; W192-F208 HydrophobicContact CE3-CE1 3.58Å; W192-F208 AromaticContact CE3-CZ 3.56Å; W192-F208 HydrophobicContact CE3-CZ 3.56Å; W192-F208 HydrophobicContact CH2-CE1 4.36Å; W192-F208 HydrophobicContact CH2-CE2 4.35Å; W192-F208 AromaticContact CH2-CZ 3.58Å; W192-F208 HydrophobicContact CH2-CZ 3.58Å; W192-F208 AromaticContact CZ2-CZ 3.85Å; W192-F208 HydrophobicContact CZ2-CZ 3.85Å; W192-F208 AromaticContact CZ3-CE1 3.74Å; W192-F208 HydrophobicContact CZ3-CE1 3.74Å; W192-F208 HydrophobicContact CZ3-CE2 4.46Å; W192-F208 AromaticContact CZ3-CZ 3.41Å; W192-F208 HydrophobicContact CZ3-CZ 3.41Å; W192-F208 VanDerWaalsContact CZ3-CZ 3.41Å; W192-I231 HydrophobicContact CH2-CD1 3.87Å; W192-R236 VanDerWaalsContact CZ2-O 3.24Å; W192-R236 WeakPolarHBondContact CZ2-O 3.06Å; W192-L239 HydrophobicContact CH2-CB 4.4Å; W192-L239 HydrophobicContact CZ3-CB 3.94Å; W192-F267 HydrophobicContact CB-CD1 4.34Å; W192-F267 HydrophobicContact CB-CE1 4.4Å |
| 193 | D | 84.1 | Confident | 73.3 | Confident | 50 Ų | 50 | 53.4 Ų | 53.4 | 27% | 0.267 | 34% | 0.335 | S | S | . | . | trans | -67.8 | 133 | 177.7 | -67.3 | -26 | 0 | 0 | 0 | 110.3 | N174 G176 F267 | N174-D193 HydrophobicContact CB-CB 3.91Å; G176-D193 VanDerWaalsContact CA-OD2 3.26Å; G176-D193 WeakPolarHBondContact CA-OD2 3.47Å; G176-D193 PolarHBondContact N-OD2 2.95Å; G176-D193 PolarHBondContact O-N 2.94Å; D193-F267 WeakPolarHBondContact O-CE1 3.47Å | ||
| 194 | Q | 71.1 | Confident | 73.9 | Confident | 41 Ų | 41 | 49.5 Ų | 49.5 | 19% | 0.192 | 30% | 0.302 | C | S | . | . | trans | -127.4 | 137.3 | 178.8 | -159 | -173.9 | 5 | 0 | 0 | 108.7 | W192 E198 R237 | W192-Q194 PolarHBondContact O-N 3.31Å; Q194-E198 VanDerWaalsContact CA-OE1 3.31Å; Q194-E198 WeakPolarHBondContact CA-OE1 3.44Å; Q194-E198 VanDerWaalsContact CD-OE2 3.29Å; Q194-E198 HydrophobicContact CG-CG 4.36Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.41Å; Q194-E198 WeakPolarHBondContact CG-OE2 3.23Å; Q194-E198 PolarHBondContact NE2-OE2 2.92Å; Q194-R237 HydrophobicContact CB-CG 4.34Å | ||
| 195 | L | 62.7 | Low | 74.8 | Confident | 46 Ų | 46 | 45.6 Ų | 45.6 | 24% | 0.241 | 28% | 0.279 | C | S | . | . | trans | -88.9 | 142.9 | 174.8 | -75.1 | 158 | 0 | 0 | 0 | 111.9 | L171 L172 P173 S197 E198 | L171-L195 WeakPolarHBondContact O-CD1 2.99Å; L172-L195 HydrophobicContact CD2-CD1 4.24Å; P173-L195 HydrophobicContact CG-CD1 3.99Å; L195-S197 PolarHBondContact O-N 3.02Å; L195-E198 HydrophobicContact CB-CG 4.26Å; L195-E198 PolarHBondContact N-OE1 3.21Å; L195-E198 WeakPolarHBondContact O-CB 3.12Å; L195-E198 WeakPolarHBondContact O-CG 3.42Å; L195-E198 PolarHBondContact O-N 3.25Å | ||
| 196 | E | 57.8 | Low | 75.8 | Confident | 178 Ų | 178 | 44 Ų | 44 | 83% | 0.832 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -59.5 | -28.3 | 174.1 | -65.4 | -173.9 | 161.2 | 0 | 0 | 112.2 | E198 | E196-E198 VanDerWaalsContact C-N 3.26Å; E196-E198 PolarHBondContact O-N 2.79Å |
| 197 | S | 57.6 | Low | 76.6 | Confident | 70 Ų | 70 | 43.3 Ų | 43.3 | 49% | 0.49 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -76.9 | -1 | 176.7 | 63.9 | 0 | 0 | 0 | 0 | 114.6 | L195 A199 A200 | L195-S197 PolarHBondContact O-N 3.02Å; S197-A199 PolarHBondContact O-N 2.82Å; S197-A200 VanDerWaalsContact O-CB 3.23Å; S197-A200 WeakPolarHBondContact O-CB 3.31Å; S197-A200 PolarHBondContact O-N 2.96Å |
| 198 | E | 55.1 | Low | 77.2 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.019 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -65.3 | -20.2 | 176.3 | -77.5 | 177.7 | -143.4 | 0 | 0 | 113.3 | L172 Q194 L195 E196 A200 I201 L204 Y206 | L172-E198 HydrophobicContact CD2-CG 4.34Å; Q194-E198 VanDerWaalsContact CA-OE1 3.31Å; Q194-E198 WeakPolarHBondContact CA-OE1 3.44Å; Q194-E198 VanDerWaalsContact CD-OE2 3.29Å; Q194-E198 HydrophobicContact CG-CG 4.36Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.41Å; Q194-E198 WeakPolarHBondContact CG-OE2 3.23Å; Q194-E198 PolarHBondContact NE2-OE2 2.92Å; L195-E198 HydrophobicContact CB-CG 4.26Å; L195-E198 PolarHBondContact N-OE1 3.21Å; L195-E198 WeakPolarHBondContact O-CB 3.12Å; L195-E198 WeakPolarHBondContact O-CG 3.42Å; L195-E198 PolarHBondContact O-N 3.25Å; E196-E198 VanDerWaalsContact C-N 3.26Å; E196-E198 PolarHBondContact O-N 2.79Å; E198-A200 PolarHBondContact O-N 2.88Å; E198-I201 PolarHBondContact O-N 2.63Å; E198-L204 HydrophobicContact CG-CD2 3.98Å; E198-Y206 PolarHBondContact OE1-OH 2.97Å; E198-Y206 PolarHBondContact OE2-OH 2.95Å |
| 199 | A | 54.1 | Low | 77.5 | Confident | 100 Ų | 100 | 42.9 Ų | 42.9 | 83% | 0.826 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -56.3 | -18.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113 | S197 | S197-A199 PolarHBondContact O-N 2.82Š|
| 200 | A | 60 | Low | 77.7 | Confident | 84 Ų | 84 | 41.9 Ų | 41.9 | 69% | 0.694 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -86.3 | -12.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114 | S197 E198 | S197-A200 VanDerWaalsContact O-CB 3.23Å; S197-A200 WeakPolarHBondContact O-CB 3.31Å; S197-A200 PolarHBondContact O-N 2.96Å; E198-A200 PolarHBondContact O-N 2.88Å |
| 201 | I | 72.1 | Confident | 77.8 | Confident | 9 Ų | 9 | 42.2 Ų | 42.2 | 5% | 0.046 | 26% | 0.257 | C | S | . | . | trans | -103.1 | 82 | 179.5 | -49.9 | -179.2 | 0 | 0 | 0 | 108 | L168 L171 E198 D203 L204 | L168-I201 HydrophobicContact CD1-CD1 4.13Å; L171-I201 HydrophobicContact CB-CD1 4.15Å; L171-I201 HydrophobicContact CD1-CD1 3.96Å; E198-I201 PolarHBondContact O-N 2.63Å; I201-D203 PolarHBondContact O-N 2.05Å; I201-L204 HydrophobicContact CB-CB 4.29Å; I201-L204 HydrophobicContact CG2-CB 3.78Å; I201-L204 HydrophobicContact CG2-CD1 4.46Å; I201-L204 PolarHBondContact O-N 3.27Å | ||
| 202 | A | 69.5 | Low | 77.8 | Confident | 105 Ų | 105 | 46.6 Ų | 46.6 | 87% | 0.868 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -19.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 203 | D | 81.6 | Confident | 77.8 | Confident | 39 Ų | 39 | 49.8 Ų | 49.8 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | 35.3 | -172.5 | 72.6 | -48.6 | 0 | 0 | 0 | 112.8 | I201 R258 P259 S260 | I201-D203 PolarHBondContact O-N 2.05Å; D203-R258 WeakPolarHBondContact OD1-CG 3.11Å; D203-R258 IonicContact OD1-CZ 3.63Å; D203-R258 IonicContact OD1-NE 3.7Å; D203-R258 PolarHBondContact OD1-NE 2.8Å; D203-R258 IonicContact OD1-NH2 3.48Å; D203-R258 PolarHBondContact OD1-NH2 2.63Å; D203-R258 WeakPolarHBondContact OD2-CG 3.28Å; D203-R258 IonicContact OD2-NE 3.61Å; D203-P259 WeakPolarHBondContact O-CD 3Å; D203-S260 VanDerWaalsContact CG-OG 3.3Å; D203-S260 WeakPolarHBondContact OD2-CA 3.39Å; D203-S260 WeakPolarHBondContact OD2-CB 3.3Å; D203-S260 PolarHBondContact OD2-N 3Å; D203-S260 PolarHBondContact OD2-OG 3.46Å |
| 204 | L | 86 | Confident | 78.3 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | trans | -85.4 | 132.2 | 176.5 | -169 | 61.1 | 0 | 0 | 0 | 111.8 | L168 E198 I201 Y206 S233 A256 | L168-L204 HydrophobicContact CD1-CD1 3.81Å; L168-L204 HydrophobicContact CD2-CD1 4.06Å; E198-L204 HydrophobicContact CG-CD2 3.98Å; I201-L204 HydrophobicContact CB-CB 4.29Å; I201-L204 HydrophobicContact CG2-CB 3.78Å; I201-L204 HydrophobicContact CG2-CD1 4.46Å; I201-L204 PolarHBondContact O-N 3.27Å; L204-Y206 HydrophobicContact CD2-CE2 3.99Å; L204-Y206 HydrophobicContact CG-CE2 4.31Å; L204-S233 WeakPolarHBondContact O-CB 3.39Å; L204-S233 PolarHBondContact O-N 2.69Å; L204-A256 HydrophobicContact CD1-CB 4.07Å | ||
| 205 | E | 88.5 | Confident | 79.3 | Confident | 70 Ų | 70 | 52.3 Ų | 52.3 | 33% | 0.327 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137.3 | 172.5 | -67.7 | 180 | -175.4 | 0 | 0 | 110.5 | I231 A256 F257 P259 | E205-I231 CarbonylContact C-O 3.48Å; E205-I231 WeakPolarHBondContact CA-O 3.22Å; E205-A256 CarbonylContact O-C 3.56Å; E205-F257 PolarHBondContact N-O 3.5Å; E205-F257 PolarHBondContact O-N 3.46Å; E205-P259 HydrophobicContact CG-CG 4.33Å |
| 206 | Y | 90.2 | Very high | 80.8 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 127.9 | 171.5 | -70.2 | -79.7 | 0 | 0 | 0 | 109.7 | W192 E198 L204 S230 I231 F255 A256 F267 | W192-Y206 AromaticContact CD1-CD1 3.77Å; W192-Y206 AromaticContact CD1-CE1 3.52Å; W192-Y206 AromaticContact CD1-CZ 3.84Å; W192-Y206 HydrophobicContact CZ2-CD2 4.25Å; W192-Y206 HydrophobicContact CZ2-CG 4.37Å; W192-Y206 AromaticContact NE1-CD1 3.5Å; W192-Y206 AromaticContact NE1-CD2 3.57Å; W192-Y206 AromaticContact NE1-CE1 3.43Å; W192-Y206 AromaticContact NE1-CE2 3.51Å; W192-Y206 AromaticContact NE1-CG 3.56Å; W192-Y206 AromaticContact NE1-CZ 3.43Å; E198-Y206 PolarHBondContact OE1-OH 2.97Å; E198-Y206 PolarHBondContact OE2-OH 2.95Å; L204-Y206 HydrophobicContact CD2-CE2 3.99Å; L204-Y206 HydrophobicContact CG-CE2 4.31Å; Y206-S230 CarbonylContact O-C 3.57Å; Y206-S230 VanDerWaalsContact O-CA 3.29Å; Y206-S230 WeakPolarHBondContact O-CA 3.44Å; Y206-I231 PolarHBondContact N-O 2.81Å; Y206-I231 PolarHBondContact O-N 3.21Å; Y206-F255 CarbonylContact C-O 3.56Å; Y206-F255 WeakPolarHBondContact CA-O 3.46Å; Y206-A256 HydrophobicContact CD1-CB 4.39Å; Y206-A256 HydrophobicContact CE1-CB 4.16Å; Y206-F267 HydrophobicContact CE1-CE1 4.42Å; Y206-F267 HydrophobicContact CE1-CE2 4.13Å; Y206-F267 AromaticContact CE1-CZ 3.79Å; Y206-F267 HydrophobicContact CE1-CZ 3.79Å |
| 207 | I | 91.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 126.1 | -180 | -57.5 | 164.6 | 0 | 0 | 0 | 108.8 | L209 L219 R228 F229 V254 F255 F257 | I207-L209 HydrophobicContact CG2-CD2 4.22Å; I207-L219 HydrophobicContact CB-CD1 4.43Å; I207-L219 HydrophobicContact CD1-CD1 4.39Å; I207-L219 HydrophobicContact CD1-CD2 3.55Å; I207-L219 HydrophobicContact CG2-CD1 3.77Å; I207-R228 HydrophobicContact CG2-CG 4.01Å; I207-F229 CarbonylContact C-O 3.5Å; I207-F229 WeakPolarHBondContact CA-O 3.11Å; I207-V254 CarbonylContact O-C 3.53Å; I207-V254 WeakPolarHBondContact O-CA 3.39Å; I207-F255 HydrophobicContact CB-CB 4.45Å; I207-F255 PolarHBondContact N-O 3.48Å; I207-F255 PolarHBondContact O-N 2.82Å; I207-F257 HydrophobicContact CD1-CB 3.49Å; I207-F257 VanDerWaalsContact CD1-CB 3.49Å; I207-F257 HydrophobicContact CD1-CD1 4.11Å; I207-F257 HydrophobicContact CD1-CG 3.95Å; I207-F257 HydrophobicContact CG1-CB 4.29Å |
| 208 | F | 92.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.9 | -179.8 | -54.5 | -98.2 | 0 | 0 | 0 | 108.4 | I190 W192 R228 F229 I231 L239 L252 V254 | I190-F208 HydrophobicContact CD1-CD1 4.39Å; I190-F208 HydrophobicContact CG2-CD1 4.23Å; I190-F208 HydrophobicContact CG2-CE1 4.03Å; W192-F208 HydrophobicContact CD2-CE1 4.07Å; W192-F208 AromaticContact CD2-CZ 3.85Å; W192-F208 HydrophobicContact CD2-CZ 3.85Å; W192-F208 AromaticContact CE2-CZ 3.95Å; W192-F208 AromaticContact CE3-CE1 3.58Å; W192-F208 HydrophobicContact CE3-CE1 3.58Å; W192-F208 AromaticContact CE3-CZ 3.56Å; W192-F208 HydrophobicContact CE3-CZ 3.56Å; W192-F208 HydrophobicContact CH2-CE1 4.36Å; W192-F208 HydrophobicContact CH2-CE2 4.35Å; W192-F208 AromaticContact CH2-CZ 3.58Å; W192-F208 HydrophobicContact CH2-CZ 3.58Å; W192-F208 AromaticContact CZ2-CZ 3.85Å; W192-F208 HydrophobicContact CZ2-CZ 3.85Å; W192-F208 AromaticContact CZ3-CE1 3.74Å; W192-F208 HydrophobicContact CZ3-CE1 3.74Å; W192-F208 HydrophobicContact CZ3-CE2 4.46Å; W192-F208 AromaticContact CZ3-CZ 3.41Å; W192-F208 HydrophobicContact CZ3-CZ 3.41Å; W192-F208 VanDerWaalsContact CZ3-CZ 3.41Å; F208-R228 WeakPolarHBondContact O-CA 3.25Å; F208-F229 HydrophobicContact CB-CB 4.25Å; F208-F229 HydrophobicContact CB-CD2 4.18Å; F208-F229 HydrophobicContact CD2-CB 4.49Å; F208-F229 PolarHBondContact N-O 2.81Å; F208-F229 PolarHBondContact O-N 2.85Å; F208-I231 HydrophobicContact CD2-CD1 4.42Å; F208-I231 HydrophobicContact CE2-CB 4.3Å; F208-I231 HydrophobicContact CE2-CD1 3.67Å; F208-I231 HydrophobicContact CE2-CG1 3.94Å; F208-I231 HydrophobicContact CZ-CD1 4.22Å; F208-L239 HydrophobicContact CB-CD2 4.18Å; F208-L239 HydrophobicContact CD1-CD2 4.04Å; F208-L239 HydrophobicContact CD2-CD2 3.7Å; F208-L239 HydrophobicContact CE1-CD2 4.41Å; F208-L239 HydrophobicContact CE2-CD2 4.11Å; F208-L239 HydrophobicContact CG-CD2 3.69Å; F208-L239 HydrophobicContact CZ-CD2 4.46Å; F208-L252 HydrophobicContact CB-CD1 4.35Å; F208-L252 HydrophobicContact CD1-CD1 4.44Å; F208-V254 HydrophobicContact CD1-CB 4.4Å; F208-V254 HydrophobicContact CD1-CG1 4Å; F208-V254 HydrophobicContact CD1-CG2 3.67Å; F208-V254 HydrophobicContact CE1-CG1 3.76Å; F208-V254 HydrophobicContact CE1-CG2 4Å; F208-V254 HydrophobicContact CZ-CG1 4.34Å |
| 209 | L | 93.3 | Very high | 85.7 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126 | 173.5 | -58.4 | -173.5 | 0 | 0 | 0 | 109.1 | I207 F216 L219 A222 T226 M227 R228 L252 S253 F255 | I207-L209 HydrophobicContact CG2-CD2 4.22Å; L209-F216 HydrophobicContact CB-CD2 4.25Å; L209-F216 HydrophobicContact CD1-CB 4.17Å; L209-F216 HydrophobicContact CD1-CD2 3.84Å; L209-F216 HydrophobicContact CD1-CG 4.12Å; L209-L219 HydrophobicContact CD1-CD1 4.12Å; L209-L219 HydrophobicContact CD2-CD1 4.15Å; L209-L219 HydrophobicContact CG-CD1 4.31Å; L209-A222 HydrophobicContact CD1-CB 3.69Å; L209-A222 HydrophobicContact CD2-CB 4.31Å; L209-T226 HydrophobicContact CB-CG2 3.79Å; L209-T226 HydrophobicContact CD1-CG2 4.47Å; L209-T226 HydrophobicContact CD2-CG2 4.2Å; L209-T226 HydrophobicContact CG-CG2 4.39Å; L209-M227 CarbonylContact C-O 3.54Å; L209-M227 WeakPolarHBondContact CA-O 3.38Å; L209-R228 HydrophobicContact CD2-CB 4.07Å; L209-R228 HydrophobicContact CD2-CG 3.94Å; L209-L252 WeakPolarHBondContact O-CA 3.39Å; L209-S253 PolarHBondContact N-O 2.82Å; L209-S253 PolarHBondContact O-N 2.78Å; L209-F255 HydrophobicContact CD1-CD2 4.34Å; L209-F255 HydrophobicContact CD1-CE2 3.67Å; L209-F255 HydrophobicContact CG-CD2 4.36Å; L209-F255 HydrophobicContact CG-CE2 4.09Å |
| 210 | L | 92.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 114.6 | 176.8 | -167 | 70.2 | 0 | 0 | 0 | 109.6 | M227 F229 L241 L244 Y250 F251 L252 F272 | L210-M227 HydrophobicContact CB-CB 4.19Å; L210-M227 HydrophobicContact CB-CE 3.99Å; L210-M227 HydrophobicContact CD2-CE 3.52Å; L210-M227 HydrophobicContact CD2-SD 4.48Å; L210-M227 HydrophobicContact CG-CE 3.77Å; L210-M227 PolarHBondContact N-O 3.2Å; L210-M227 PolarHBondContact O-N 3.43Å; L210-F229 HydrophobicContact CB-CE2 4.14Å; L210-L241 HydrophobicContact CD2-CD1 3.88Å; L210-L244 HydrophobicContact CD2-CD1 4.23Å; L210-L244 HydrophobicContact CD2-CD2 3.77Å; L210-Y250 HydrophobicContact CD1-CD1 4.25Å; L210-Y250 HydrophobicContact CD1-CG 4.28Å; L210-Y250 HydrophobicContact CD2-CD1 3.91Å; L210-Y250 HydrophobicContact CD2-CE1 4.32Å; L210-Y250 HydrophobicContact CD2-CG 4.35Å; L210-Y250 HydrophobicContact CG-CD1 3.79Å; L210-Y250 HydrophobicContact CG-CG 4.29Å; L210-F251 WeakPolarHBondContact CA-O 3.28Å; L210-L252 HydrophobicContact CD1-CB 4.28Å; L210-L252 HydrophobicContact CD1-CD1 4.4Å; L210-F272 HydrophobicContact CD1-CE1 3.85Å; L210-F272 HydrophobicContact CD1-CZ 3.8Å |
| 211 | S | 92.8 | Very high | 89 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 5% | 0.049 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 157.2 | -179.1 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | S213 K214 Y250 F251 | S211-S213 PolarHBondContact OG-N 2.98Å; S211-S213 VanDerWaalsContact OG-N 3.1Å; S211-S213 PolarHBondContact OG-OG 2.92Å; S211-K214 WeakPolarHBondContact CB-O 3.45Å; S211-Y250 CarbonylContact O-C 3.59Å; S211-Y250 WeakPolarHBondContact O-CA 3.26Å; S211-F251 PolarHBondContact N-O 2.83Å; S211-F251 PolarHBondContact O-N 2.9Å |
| 212 | R | 91 | Very high | 89.9 | Confident | 159 Ų | 159 | 39.6 Ų | 39.6 | 60% | 0.6 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -96.9 | -4.4 | 173.8 | -66.4 | -177.8 | -68.1 | 175.8 | -0.3 | 113.1 | V248 Y250 | R212-V248 HydrophobicContact CG-CG1 4.17Å; R212-Y250 HydrophobicContact CG-CD1 3.94Å; R212-Y250 HydrophobicContact CG-CE1 3.76Å |
| 213 | S | 91.1 | Very high | 90.7 | Very high | 75 Ų | 75 | 38 Ų | 38 | 52% | 0.524 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -111.2 | -44.8 | -172.7 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | S211 F251 | S211-S213 PolarHBondContact OG-N 2.98Å; S211-S213 VanDerWaalsContact OG-N 3.1Å; S211-S213 PolarHBondContact OG-OG 2.92Å; S213-F251 WeakPolarHBondContact O-CE2 3.48Å |
| 214 | K | 92.7 | Very high | 90.7 | Very high | 102 Ų | 102 | 46 Ų | 46 | 44% | 0.443 | 24% | 0.236 | S | C | . | . | trans | -163.6 | 166.5 | -173.5 | 62.4 | -179.8 | -178.9 | 179.9 | 0 | 112.4 | S211 F251 | S211-K214 WeakPolarHBondContact CB-O 3.45Å; K214-F251 VanDerWaalsContact C-CB 3.4Å; K214-F251 VanDerWaalsContact O-CB 3.31Å; K214-F251 WeakPolarHBondContact O-CB 3.35Å | ||
| 215 | T | 93.4 | Very high | 90.5 | Very high | 42 Ų | 42 | 53.9 Ų | 53.9 | 26% | 0.258 | 27% | 0.272 | S | S | . | . | trans | -81.6 | 164.4 | 164.5 | 54.8 | 0 | 0 | 0 | 0 | 110.8 | F251 S253 | T215-F251 HydrophobicContact CG2-CB 3.89Å; T215-F251 HydrophobicContact CG2-CD1 4.02Å; T215-F251 HydrophobicContact CG2-CG 4.43Å; T215-S253 WeakPolarHBondContact CA-OG 3.31Å | ||
| 216 | F | 92.8 | Very high | 90.5 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | trans | -122.4 | 128.1 | 178.9 | -59.1 | -86.6 | 0 | 0 | 0 | 109.9 | L209 A221 T226 S253 F255 | L209-F216 HydrophobicContact CB-CD2 4.25Å; L209-F216 HydrophobicContact CD1-CB 4.17Å; L209-F216 HydrophobicContact CD1-CD2 3.84Å; L209-F216 HydrophobicContact CD1-CG 4.12Å; F216-A221 HydrophobicContact CD1-CB 4.02Å; F216-A221 WeakPolarHBondContact CD1-O 3.41Å; F216-A221 WeakPolarHBondContact CE1-O 3.05Å; F216-T226 HydrophobicContact CD2-CG2 4.47Å; F216-T226 HydrophobicContact CE2-CG2 3.65Å; F216-T226 HydrophobicContact CZ-CG2 4.14Å; F216-T226 VanDerWaalsContact CZ-OG1 3.24Å; F216-T226 WeakPolarHBondContact CZ-OG1 3.41Å; F216-S253 PolarHBondContact N-OG 2.85Å; F216-F255 HydrophobicContact CB-CZ 4.28Å; F216-F255 VanDerWaalsContact O-CZ 3.29Å; F216-F255 WeakPolarHBondContact O-CZ 3.12Å | ||
| 217 | E | 89.9 | Confident | 90.3 | Very high | 97 Ų | 97 | 52.6 Ų | 52.6 | 45% | 0.453 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -81.2 | -20.7 | 173.6 | -62.2 | -60.4 | 146.2 | 0 | 0 | 112.3 | ||
| 218 | A | 92.1 | Very high | 90.1 | Very high | 6 Ų | 6 | 58.4 Ų | 58.4 | 5% | 0.05 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -135.8 | 135.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | T71 P72 C220 A221 | T71-A218 HydrophobicContact CG2-CB 3.53Å; P72-A218 WeakPolarHBondContact O-CB 3.47Å; A218-C220 PolarHBondContact O-N 2.93Å; A218-A221 HydrophobicContact CB-CB 4.44Å; A218-A221 WeakPolarHBondContact O-CB 3.39Å; A218-A221 PolarHBondContact O-N 2.85Å |
| 219 | L | 91.9 | Very high | 89.8 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -59.4 | -33.7 | -179.9 | -178.6 | 62.3 | 0 | 0 | 0 | 112.7 | I207 L209 A221 A222 F255 T264 | I207-L219 HydrophobicContact CB-CD1 4.43Å; I207-L219 HydrophobicContact CD1-CD1 4.39Å; I207-L219 HydrophobicContact CD1-CD2 3.55Å; I207-L219 HydrophobicContact CG2-CD1 3.77Å; L209-L219 HydrophobicContact CD1-CD1 4.12Å; L209-L219 HydrophobicContact CD2-CD1 4.15Å; L209-L219 HydrophobicContact CG-CD1 4.31Å; L219-A221 PolarHBondContact O-N 2.85Å; L219-A222 WeakPolarHBondContact O-CB 3.31Å; L219-A222 PolarHBondContact O-N 2.89Å; L219-F255 HydrophobicContact CB-CD1 4.18Å; L219-F255 HydrophobicContact CB-CD2 4.44Å; L219-F255 HydrophobicContact CB-CE1 4.3Å; L219-F255 HydrophobicContact CB-CG 4.24Å; L219-F255 HydrophobicContact CB-CZ 4.49Å; L219-F255 HydrophobicContact CD1-CD2 4.06Å; L219-F255 HydrophobicContact CD1-CE2 4.44Å; L219-F255 HydrophobicContact CD1-CG 4.43Å; L219-T264 HydrophobicContact CB-CG2 4.46Å; L219-T264 HydrophobicContact CD2-CG2 3.86Å |
| 220 | C | 91.7 | Very high | 89.4 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 24% | 0.243 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -74.4 | -9.6 | 179.1 | 65.4 | 0 | 0 | 0 | 0 | 114.4 | C73 Q157 A218 A222 | C73-C220 VanDerWaalsContact CA-SG 3.56Å; C73-C220 HydrophobicContact CB-CB 3.98Å; C73-C220 WeakPolarHBondContact CB-SG 3.5Å; C73-C220 WeakPolarHBondContact SG-CB 3.48Å; C73-C220 CovalentContact SG-SG 2.04Å; C73-C220 PolarHBondContact SG-SG 2.8Å; Q157-C220 HydrophobicContact CG-CB 4.26Å; A218-C220 PolarHBondContact O-N 2.93Å; C220-A222 VanDerWaalsContact C-N 3.32Å |
| 221 | A | 91.4 | Very high | 88.9 | Confident | 22 Ų | 22 | 62.4 Ų | 62.4 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -85 | -6.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F216 A218 L219 | F216-A221 HydrophobicContact CD1-CB 4.02Å; F216-A221 WeakPolarHBondContact CD1-O 3.41Å; F216-A221 WeakPolarHBondContact CE1-O 3.05Å; A218-A221 HydrophobicContact CB-CB 4.44Å; A218-A221 WeakPolarHBondContact O-CB 3.39Å; A218-A221 PolarHBondContact O-N 2.85Å; L219-A221 PolarHBondContact O-N 2.85Å |
| 222 | A | 91.3 | Very high | 88.3 | Confident | 34 Ų | 34 | 65.7 Ų | 65.7 | 28% | 0.281 | 34% | 0.339 | S | S | . | . | trans | -63.4 | 132.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L209 L219 C220 T226 | L209-A222 HydrophobicContact CD1-CB 3.69Å; L209-A222 HydrophobicContact CD2-CB 4.31Å; L219-A222 WeakPolarHBondContact O-CB 3.31Å; L219-A222 PolarHBondContact O-N 2.89Å; C220-A222 VanDerWaalsContact C-N 3.32Å; A222-T226 HydrophobicContact CB-CG2 4.47Å | ||
| 223 | D | 86.7 | Confident | 87.3 | Confident | 73 Ų | 73 | 59.7 Ų | 59.7 | 39% | 0.39 | 32% | 0.322 | S | S | . | . | trans | -91.2 | 172.6 | 174.6 | 59.1 | 42.8 | 0 | 0 | 0 | 111.7 | Q225 T226 | D223-Q225 PolarHBondContact O-N 2.85Å; D223-Q225 WeakPolarHBondContact OD1-CA 3.49Å; D223-Q225 PolarHBondContact OD1-N 2.83Å; D223-T226 WeakPolarHBondContact O-CB 3.35Å; D223-T226 PolarHBondContact O-N 2.9Å; D223-T226 PolarHBondContact OD1-N 2.57Å; D223-T226 PolarHBondContact OD1-OG1 2.93Å | ||
| 224 | E | 81 | Confident | 85.7 | Confident | 206 Ų | 206 | 60.1 Ų | 60.1 | 96% | 0.963 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.6 | 179.2 | -63.5 | -175.2 | 166.7 | 0 | 0 | 113.7 | T226 | E224-T226 VanDerWaalsContact C-N 3.34Š|
| 225 | Q | 82.2 | Confident | 84.2 | Confident | 169 Ų | 169 | 66.2 Ų | 66.2 | 79% | 0.79 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -9.8 | 178.8 | -60.6 | -174.6 | 3 | 0 | 0 | 112.5 | D223 | D223-Q225 PolarHBondContact O-N 2.85Å; D223-Q225 WeakPolarHBondContact OD1-CA 3.49Å; D223-Q225 PolarHBondContact OD1-N 2.83Å |
| 226 | T | 87.7 | Confident | 82.8 | Confident | 14 Ų | 14 | 70 Ų | 70 | 9% | 0.086 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -78.5 | 121.6 | -179.6 | -60.1 | 0 | 0 | 0 | 0 | 109.4 | L209 F216 A222 D223 E224 R228 | L209-T226 HydrophobicContact CB-CG2 3.79Å; L209-T226 HydrophobicContact CD1-CG2 4.47Å; L209-T226 HydrophobicContact CD2-CG2 4.2Å; L209-T226 HydrophobicContact CG-CG2 4.39Å; F216-T226 HydrophobicContact CD2-CG2 4.47Å; F216-T226 HydrophobicContact CE2-CG2 3.65Å; F216-T226 HydrophobicContact CZ-CG2 4.14Å; F216-T226 VanDerWaalsContact CZ-OG1 3.24Å; F216-T226 WeakPolarHBondContact CZ-OG1 3.41Å; A222-T226 HydrophobicContact CB-CG2 4.47Å; D223-T226 WeakPolarHBondContact O-CB 3.35Å; D223-T226 PolarHBondContact O-N 2.9Å; D223-T226 PolarHBondContact OD1-N 2.57Å; D223-T226 PolarHBondContact OD1-OG1 2.93Å; E224-T226 VanDerWaalsContact C-N 3.34Å; T226-R228 PolarHBondContact O-N 2.71Å |
| 227 | M | 86.5 | Confident | 82.1 | Confident | 32 Ų | 32 | 76.4 Ų | 76.4 | 16% | 0.158 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 133.3 | 174.5 | -65.5 | 176.1 | -80.9 | 0 | 0 | 109.3 | L209 L210 F229 Y250 Y300 | L209-M227 CarbonylContact C-O 3.54Å; L209-M227 WeakPolarHBondContact CA-O 3.38Å; L210-M227 HydrophobicContact CB-CB 4.19Å; L210-M227 HydrophobicContact CB-CE 3.99Å; L210-M227 HydrophobicContact CD2-CE 3.52Å; L210-M227 HydrophobicContact CD2-SD 4.48Å; L210-M227 HydrophobicContact CG-CE 3.77Å; L210-M227 PolarHBondContact N-O 3.2Å; L210-M227 PolarHBondContact O-N 3.43Å; M227-F229 HydrophobicContact CB-CE2 4.01Å; M227-F229 HydrophobicContact CB-CZ 3.86Å; M227-F229 HydrophobicContact SD-CZ 4.44Å; M227-Y250 HydrophobicContact CE-CD1 4.11Å; M227-Y250 HydrophobicContact CE-CE1 3.67Å; M227-Y300 HydrophobicContact CG-CE2 4.23Å; M227-Y300 HydrophobicContact SD-CD2 3.83Å; M227-Y300 HydrophobicContact SD-CE2 3.31Å; M227-Y300 WeakPolarHBondContact SD-CE2 3.42Å |
| 228 | R | 87.7 | Confident | 81.8 | Confident | 121 Ų | 121 | 74.6 Ų | 74.6 | 46% | 0.457 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.7 | -176.4 | 180 | 178.6 | 176.2 | 134.2 | -4.7 | 110.4 | I207 F208 L209 T226 | I207-R228 HydrophobicContact CG2-CG 4.01Å; F208-R228 WeakPolarHBondContact O-CA 3.25Å; L209-R228 HydrophobicContact CD2-CB 4.07Å; L209-R228 HydrophobicContact CD2-CG 3.94Å; T226-R228 PolarHBondContact O-N 2.71Å |
| 229 | F | 85.6 | Confident | 81.5 | Confident | 4 Ų | 4 | 74.6 Ų | 74.6 | 2% | 0.018 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 143.1 | 174.8 | -45.1 | -76 | 0 | 0 | 0 | 109.3 | I207 F208 L210 M227 L239 L241 L297 | I207-F229 CarbonylContact C-O 3.5Å; I207-F229 WeakPolarHBondContact CA-O 3.11Å; F208-F229 HydrophobicContact CB-CB 4.25Å; F208-F229 HydrophobicContact CB-CD2 4.18Å; F208-F229 HydrophobicContact CD2-CB 4.49Å; F208-F229 PolarHBondContact N-O 2.81Å; F208-F229 PolarHBondContact O-N 2.85Å; L210-F229 HydrophobicContact CB-CE2 4.14Å; M227-F229 HydrophobicContact CB-CE2 4.01Å; M227-F229 HydrophobicContact CB-CZ 3.86Å; M227-F229 HydrophobicContact SD-CZ 4.44Å; F229-L239 HydrophobicContact CB-CD2 4.23Å; F229-L241 HydrophobicContact CD2-CD2 4.36Å; F229-L241 HydrophobicContact CE1-CD2 4.47Å; F229-L241 HydrophobicContact CE2-CD1 4.19Å; F229-L241 HydrophobicContact CE2-CD2 4.14Å; F229-L241 HydrophobicContact CZ-CD2 4.19Å; F229-L297 HydrophobicContact CD1-CB 4.41Å; F229-L297 WeakPolarHBondContact CD1-O 2.98Å |
| 230 | S | 85.3 | Confident | 81 | Confident | 68 Ų | 68 | 76.5 Ų | 76.5 | 48% | 0.476 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.9 | 175.7 | 53.5 | 0 | 0 | 0 | 0 | 111.2 | Y206 | Y206-S230 CarbonylContact O-C 3.57Å; Y206-S230 VanDerWaalsContact O-CA 3.29Å; Y206-S230 WeakPolarHBondContact O-CA 3.44Å |
| 231 | I | 81.9 | Confident | 80.5 | Confident | 14 Ų | 14 | 74.9 Ų | 74.9 | 7% | 0.072 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.5 | 177.1 | -60.1 | 179.4 | 0 | 0 | 0 | 108.5 | W192 E205 Y206 F208 L239 L297 | W192-I231 HydrophobicContact CH2-CD1 3.87Å; E205-I231 CarbonylContact C-O 3.48Å; E205-I231 WeakPolarHBondContact CA-O 3.22Å; Y206-I231 PolarHBondContact N-O 2.81Å; Y206-I231 PolarHBondContact O-N 3.21Å; F208-I231 HydrophobicContact CD2-CD1 4.42Å; F208-I231 HydrophobicContact CE2-CB 4.3Å; F208-I231 HydrophobicContact CE2-CD1 3.67Å; F208-I231 HydrophobicContact CE2-CG1 3.94Å; F208-I231 HydrophobicContact CZ-CD1 4.22Å; I231-L239 HydrophobicContact CD1-CB 3.87Å; I231-L239 HydrophobicContact CD1-CD1 4.05Å; I231-L239 HydrophobicContact CD1-CD2 4.18Å; I231-L239 HydrophobicContact CD1-CG 4.24Å; I231-L297 HydrophobicContact CD1-CD1 3.91Å; I231-L297 HydrophobicContact CG1-CD1 3.4Å |
| 232 | S | 79.9 | Confident | 79.8 | Confident | 77 Ų | 77 | 74.3 Ų | 74.3 | 54% | 0.538 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 138.7 | 169.3 | 59.4 | 0 | 0 | 0 | 0 | 110.6 | S234 | S232-S234 PolarHBondContact O-N 3.46Å |
| 233 | S | 69.8 | Low | 78.9 | Confident | 33 Ų | 33 | 73.2 Ų | 73.2 | 23% | 0.231 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -68.9 | 100.4 | 179.9 | 106.3 | 0 | 0 | 0 | 0 | 109.7 | L204 | L204-S233 WeakPolarHBondContact O-CB 3.39Å; L204-S233 PolarHBondContact O-N 2.69Å |
| 234 | S | 57.6 | Low | 78.5 | Confident | 84 Ų | 84 | 70.4 Ų | 70.4 | 59% | 0.587 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -138.3 | 35.2 | 172.5 | 58.6 | 0 | 0 | 0 | 0 | 112.6 | S232 | S232-S234 PolarHBondContact O-N 3.46Š|
| 235 | R | 61.6 | Low | 78.5 | Confident | 230 Ų | 230 | 64.4 Ų | 64.4 | 87% | 0.868 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 91.6 | 9 | 176.9 | -49.8 | 174.8 | -178.1 | -161.3 | -0 | 117.2 | ||
| 236 | R | 64.6 | Low | 78.4 | Confident | 122 Ų | 122 | 59 Ų | 59 | 46% | 0.46 | 30% | 0.299 | S | S | . | . | trans | -84.4 | 123.7 | 171.8 | -66.4 | -167.5 | -175.4 | -177.7 | 12.3 | 110.7 | W192 E370 | W192-R236 VanDerWaalsContact CZ2-O 3.24Å; W192-R236 WeakPolarHBondContact CZ2-O 3.06Å; R236-E370 IonicContact CZ-OE1 2.83Å; R236-E370 IonicContact CZ-OE2 3.94Å; R236-E370 VanDerWaalsContact CZ-OE2 3.25Å; R236-E370 IonicContact NH1-OE1 2.79Å; R236-E370 PolarHBondContact NH1-OE1 2.76Å; R236-E370 IonicContact NH1-OE2 3.65Å; R236-E370 PolarHBondContact NH1-OE2 3.5Å; R236-E370 IonicContact NH2-OE1 3.25Å; R236-E370 IonicContact NH2-OE2 2.73Å; R236-E370 PolarHBondContact NH2-OE2 3.47Å | ||
| 237 | R | 77.1 | Confident | 78.3 | Confident | 142 Ų | 142 | 65 Ų | 65 | 54% | 0.536 | 33% | 0.33 | S | S | . | . | trans | -102.4 | 3.4 | 177.3 | -64.5 | 179.7 | 179.7 | 177.5 | -1.7 | 113.3 | Q194 | Q194-R237 HydrophobicContact CB-CG 4.34Š| ||
| 238 | T | 84.8 | Confident | 78.4 | Confident | 59 Ų | 59 | 65 Ų | 65 | 36% | 0.362 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 141.2 | -170.6 | 60.4 | 0 | 0 | 0 | 0 | 111.6 | T189 I190 Y191 | T189-T238 HydrophobicContact CG2-CG2 4.27Å; I190-T238 CarbonylContact O-C 3.57Å; I190-T238 WeakPolarHBondContact O-CA 3.44Å; Y191-T238 HydrophobicContact CD1-CG2 3.37Å; Y191-T238 HydrophobicContact CE1-CG2 3.32Å; Y191-T238 HydrophobicContact CG-CG2 4.24Å |
| 239 | L | 84.8 | Confident | 78.7 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 119.4 | 170.7 | 171.1 | 56.4 | 0 | 0 | 0 | 107.7 | T189 I190 W192 F208 F229 I231 L241 L297 | T189-L239 CarbonylContact C-O 3.58Å; T189-L239 WeakPolarHBondContact CA-O 3Å; I190-L239 HydrophobicContact CB-CB 4.39Å; I190-L239 HydrophobicContact CD1-CD2 4.3Å; I190-L239 PolarHBondContact N-O 2.89Å; I190-L239 PolarHBondContact O-N 3.28Å; W192-L239 HydrophobicContact CH2-CB 4.4Å; W192-L239 HydrophobicContact CZ3-CB 3.94Å; F208-L239 HydrophobicContact CB-CD2 4.18Å; F208-L239 HydrophobicContact CD1-CD2 4.04Å; F208-L239 HydrophobicContact CD2-CD2 3.7Å; F208-L239 HydrophobicContact CE1-CD2 4.41Å; F208-L239 HydrophobicContact CE2-CD2 4.11Å; F208-L239 HydrophobicContact CG-CD2 3.69Å; F208-L239 HydrophobicContact CZ-CD2 4.46Å; F229-L239 HydrophobicContact CB-CD2 4.23Å; I231-L239 HydrophobicContact CD1-CB 3.87Å; I231-L239 HydrophobicContact CD1-CD1 4.05Å; I231-L239 HydrophobicContact CD1-CD2 4.18Å; I231-L239 HydrophobicContact CD1-CG 4.24Å; L239-L241 HydrophobicContact CD1-CD2 4.11Å; L239-L241 HydrophobicContact CD2-CD2 4.16Å; L239-L241 HydrophobicContact CG-CD2 4.01Å; L239-L241 HydrophobicContact CG-CG 4.38Å; L239-L297 HydrophobicContact CD1-CD1 4.03Å |
| 240 | T | 82.4 | Confident | 79 | Confident | 61 Ų | 61 | 66.5 Ų | 66.5 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 120.7 | 175.8 | -58.6 | 0 | 0 | 0 | 0 | 109.9 | V188 T189 | V188-T240 WeakPolarHBondContact O-CA 2.98Å; T189-T240 PolarHBondContact OG1-OG1 2.73Å; T189-T240 VanDerWaalsContact OG1-OG1 3.09Å |
| 241 | L | 80.9 | Confident | 79.5 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 135.6 | 173.2 | -56.6 | -179.9 | 0 | 0 | 0 | 108.8 | S187 V188 I190 L210 F229 L239 L244 | S187-L241 CarbonylContact C-O 3.58Å; S187-L241 WeakPolarHBondContact CA-O 3.25Å; V188-L241 PolarHBondContact N-O 3.04Å; V188-L241 PolarHBondContact O-N 3.2Å; I190-L241 HydrophobicContact CD1-CD1 3.88Å; I190-L241 HydrophobicContact CD1-CG 4.36Å; L210-L241 HydrophobicContact CD2-CD1 3.88Å; F229-L241 HydrophobicContact CD2-CD2 4.36Å; F229-L241 HydrophobicContact CE1-CD2 4.47Å; F229-L241 HydrophobicContact CE2-CD1 4.19Å; F229-L241 HydrophobicContact CE2-CD2 4.14Å; F229-L241 HydrophobicContact CZ-CD2 4.19Å; L239-L241 HydrophobicContact CD1-CD2 4.11Å; L239-L241 HydrophobicContact CD2-CD2 4.16Å; L239-L241 HydrophobicContact CG-CD2 4.01Å; L239-L241 HydrophobicContact CG-CG 4.38Å; L241-L244 HydrophobicContact CB-CD1 4.29Å |
| 242 | S | 76.5 | Confident | 80.1 | Confident | 10 Ų | 10 | 64.5 Ų | 64.5 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | trans | -130.1 | 161.6 | 174.9 | 56.3 | 0 | 0 | 0 | 0 | 109.5 | L244 Y300 | S242-L244 VanDerWaalsContact C-N 3.32Å; S242-L244 PolarHBondContact O-N 2.81Å; S242-Y300 CarbonylContact O-C 3.59Å | ||
| 243 | G | 72.1 | Confident | 80.9 | Confident | 11 Ų | 11 | 61 Ų | 61 | 11% | 0.113 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 73.5 | 19.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | L278 | G243-L278 WeakPolarHBondContact O-CD2 3.37Š|
| 244 | L | 79 | Confident | 82 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 145.3 | 171.1 | -64 | 179.1 | 0 | 0 | 0 | 110.3 | V188 L210 L241 S242 Y250 F272 T274 L278 | V188-L244 HydrophobicContact CB-CD1 4.28Å; V188-L244 HydrophobicContact CG2-CD1 4Å; L210-L244 HydrophobicContact CD2-CD1 4.23Å; L210-L244 HydrophobicContact CD2-CD2 3.77Å; L241-L244 HydrophobicContact CB-CD1 4.29Å; S242-L244 VanDerWaalsContact C-N 3.32Å; S242-L244 PolarHBondContact O-N 2.81Å; L244-Y250 HydrophobicContact CB-CE2 3.99Å; L244-Y250 HydrophobicContact CD1-CD2 4.49Å; L244-Y250 HydrophobicContact CD1-CE2 4.42Å; L244-Y250 HydrophobicContact CD2-CE1 4.41Å; L244-F272 HydrophobicContact CD1-CE2 3.77Å; L244-F272 HydrophobicContact CD1-CZ 3.95Å; L244-T274 HydrophobicContact CB-CG2 3.9Å; L244-T274 HydrophobicContact CD1-CG2 4.24Å; L244-L278 WeakPolarHBondContact O-CD2 3.18Å |
| 245 | L | 79.5 | Confident | 83.7 | Confident | 80 Ų | 80 | 55.6 Ų | 55.6 | 42% | 0.419 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 147.8 | 175.2 | -64 | 176 | 0 | 0 | 0 | 109.9 | V248 Y250 T274 L278 | L245-V248 HydrophobicContact CB-CB 4.21Å; L245-V248 HydrophobicContact CB-CG2 3.64Å; L245-Y250 PolarHBondContact N-OH 2.59Å; L245-Y250 VanDerWaalsContact N-OH 3.15Å; L245-T274 WeakPolarHBondContact O-CB 3.33Å; L245-T274 PolarHBondContact O-OG1 2.91Å; L245-L278 HydrophobicContact CD2-CD1 4.28Å |
| 246 | T | 82 | Confident | 85.2 | Confident | 55 Ų | 55 | 44.6 Ų | 44.6 | 34% | 0.337 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 146.7 | -169.1 | 66.5 | 0 | 0 | 0 | 0 | 109.4 | V248 T274 N276 L278 | T246-V248 PolarHBondContact O-N 2.9Å; T246-T274 WeakPolarHBondContact CA-OG1 3.36Å; T246-N276 WeakPolarHBondContact CB-O 3.22Å; T246-N276 WeakPolarHBondContact CG2-O 3.44Å; T246-L278 HydrophobicContact CG2-CB 4.21Å; T246-L278 HydrophobicContact CG2-CG 3.86Å |
| 247 | D | 85 | Confident | 86.4 | Confident | 139 Ų | 139 | 40.7 Ų | 40.7 | 74% | 0.743 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 31 | -174.3 | -161.3 | 30.3 | 0 | 0 | 0 | 112.4 | T274 | D247-T274 VanDerWaalsContact CA-O 3.31Å; D247-T274 WeakPolarHBondContact CA-O 3.24Å; D247-T274 PolarHBondContact N-O 2.92Å; D247-T274 PolarHBondContact N-OG1 2.97Å |
| 248 | V | 88.3 | Confident | 86.9 | Confident | 34 Ų | 34 | 36 Ų | 36 | 21% | 0.206 | 18% | 0.184 | C | C | . | . | trans | -115.1 | 129.4 | 178.5 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | R212 L245 T246 Y250 T274 | R212-V248 HydrophobicContact CG-CG1 4.17Å; L245-V248 HydrophobicContact CB-CB 4.21Å; L245-V248 HydrophobicContact CB-CG2 3.64Å; T246-V248 PolarHBondContact O-N 2.9Å; V248-Y250 HydrophobicContact CB-CD2 4.39Å; V248-Y250 HydrophobicContact CB-CE2 3.76Å; V248-Y250 HydrophobicContact CG1-CD2 4.12Å; V248-Y250 HydrophobicContact CG1-CE1 4.32Å; V248-Y250 HydrophobicContact CG1-CE2 3.65Å; V248-Y250 WeakPolarHBondContact O-CD2 3.29Å; V248-T274 PolarHBondContact N-OG1 3.49Å; V248-T274 PolarHBondContact O-N 2.83Å; V248-T274 PolarHBondContact O-OG1 3Å | ||
| 249 | R | 93.1 | Very high | 87.1 | Confident | 148 Ų | 148 | 35 Ų | 35 | 56% | 0.558 | 18% | 0.179 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 125.9 | 172.5 | -169.4 | 174.3 | -175.5 | 174.1 | 1.8 | 110.2 | F251 F272 | R249-F251 HydrophobicContact CG-CE2 4.46Å; R249-F251 HydrophobicContact CG-CZ 4.48Å; R249-F272 WeakPolarHBondContact CA-O 3.41Å |
| 250 | Y | 93.2 | Very high | 87.1 | Confident | 8 Ų | 8 | 37.7 Ų | 37.7 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 146.5 | 174.9 | -68.8 | -85.4 | 0 | 0 | 0 | 111 | L210 S211 R212 M227 L244 L245 V248 A271 F272 T274 | L210-Y250 HydrophobicContact CD1-CD1 4.25Å; L210-Y250 HydrophobicContact CD1-CG 4.28Å; L210-Y250 HydrophobicContact CD2-CD1 3.91Å; L210-Y250 HydrophobicContact CD2-CE1 4.32Å; L210-Y250 HydrophobicContact CD2-CG 4.35Å; L210-Y250 HydrophobicContact CG-CD1 3.79Å; L210-Y250 HydrophobicContact CG-CG 4.29Å; S211-Y250 CarbonylContact O-C 3.59Å; S211-Y250 WeakPolarHBondContact O-CA 3.26Å; R212-Y250 HydrophobicContact CG-CD1 3.94Å; R212-Y250 HydrophobicContact CG-CE1 3.76Å; M227-Y250 HydrophobicContact CE-CD1 4.11Å; M227-Y250 HydrophobicContact CE-CE1 3.67Å; L244-Y250 HydrophobicContact CB-CE2 3.99Å; L244-Y250 HydrophobicContact CD1-CD2 4.49Å; L244-Y250 HydrophobicContact CD1-CE2 4.42Å; L244-Y250 HydrophobicContact CD2-CE1 4.41Å; L245-Y250 PolarHBondContact N-OH 2.59Å; L245-Y250 VanDerWaalsContact N-OH 3.15Å; V248-Y250 HydrophobicContact CB-CD2 4.39Å; V248-Y250 HydrophobicContact CB-CE2 3.76Å; V248-Y250 HydrophobicContact CG1-CD2 4.12Å; V248-Y250 HydrophobicContact CG1-CE1 4.32Å; V248-Y250 HydrophobicContact CG1-CE2 3.65Å; V248-Y250 WeakPolarHBondContact O-CD2 3.29Å; Y250-A271 VanDerWaalsContact O-CA 3.23Å; Y250-A271 WeakPolarHBondContact O-CA 3.37Å; Y250-F272 AromaticContact CD2-CE2 3.98Å; Y250-F272 HydrophobicContact CD2-CE2 3.98Å; Y250-F272 HydrophobicContact CD2-CZ 4.46Å; Y250-F272 HydrophobicContact CG-CE2 4.26Å; Y250-F272 HydrophobicContact CG-CZ 4.31Å; Y250-F272 PolarHBondContact N-O 3.05Å; Y250-F272 PolarHBondContact O-N 2.74Å; Y250-T274 HydrophobicContact CD2-CG2 4.04Å; Y250-T274 HydrophobicContact CE2-CG2 3.95Å |
| 251 | F | 95.3 | Very high | 87.3 | Confident | 39 Ų | 39 | 35.9 Ų | 35.9 | 17% | 0.171 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 119.3 | 175.8 | -62.2 | -88.5 | 0 | 0 | 0 | 108.4 | L210 S211 S213 K214 T215 R249 A271 | L210-F251 WeakPolarHBondContact CA-O 3.28Å; S211-F251 PolarHBondContact N-O 2.83Å; S211-F251 PolarHBondContact O-N 2.9Å; S213-F251 WeakPolarHBondContact O-CE2 3.48Å; K214-F251 VanDerWaalsContact C-CB 3.4Å; K214-F251 VanDerWaalsContact O-CB 3.31Å; K214-F251 WeakPolarHBondContact O-CB 3.35Å; T215-F251 HydrophobicContact CG2-CB 3.89Å; T215-F251 HydrophobicContact CG2-CD1 4.02Å; T215-F251 HydrophobicContact CG2-CG 4.43Å; R249-F251 HydrophobicContact CG-CE2 4.46Å; R249-F251 HydrophobicContact CG-CZ 4.48Å; F251-A271 HydrophobicContact CD1-CB 3.94Å; F251-A271 HydrophobicContact CE1-CB 4.25Å |
| 252 | L | 95.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.7 | -178.8 | 175.8 | 67.4 | 0 | 0 | 0 | 109.6 | V177 V179 I190 F208 L209 L210 V254 S269 A270 F272 | V177-L252 HydrophobicContact CG1-CD2 3.82Å; V179-L252 HydrophobicContact CG2-CD2 3.76Å; I190-L252 HydrophobicContact CB-CD2 4.38Å; I190-L252 HydrophobicContact CD1-CD1 3.74Å; I190-L252 HydrophobicContact CD1-CD2 3.73Å; I190-L252 HydrophobicContact CD1-CG 4.4Å; I190-L252 HydrophobicContact CG1-CD2 3.81Å; I190-L252 HydrophobicContact CG2-CD2 3.66Å; F208-L252 HydrophobicContact CB-CD1 4.35Å; F208-L252 HydrophobicContact CD1-CD1 4.44Å; L209-L252 WeakPolarHBondContact O-CA 3.39Å; L210-L252 HydrophobicContact CD1-CB 4.28Å; L210-L252 HydrophobicContact CD1-CD1 4.4Å; L252-V254 HydrophobicContact CD1-CG2 4.12Å; L252-V254 HydrophobicContact CD2-CG2 4.12Å; L252-V254 HydrophobicContact CG-CG2 3.93Å; L252-S269 WeakPolarHBondContact O-CA 3.36Å; L252-S269 WeakPolarHBondContact O-CB 3.34Å; L252-A270 HydrophobicContact CB-CB 4.43Å; L252-A270 HydrophobicContact CD2-CB 4.41Å; L252-A270 PolarHBondContact N-O 2.82Å; L252-A270 PolarHBondContact O-N 3.2Å; L252-F272 HydrophobicContact CB-CE1 4.39Å |
| 253 | S | 95.2 | Very high | 88.3 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.014 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 131.6 | 169.5 | -43.9 | 0 | 0 | 0 | 0 | 109 | L209 T215 F216 | L209-S253 PolarHBondContact N-O 2.82Å; L209-S253 PolarHBondContact O-N 2.78Å; T215-S253 WeakPolarHBondContact CA-OG 3.31Å; F216-S253 PolarHBondContact N-OG 2.85Å |
| 254 | V | 94.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 138.7 | -176.2 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | V177 I207 F208 L252 F267 | V177-V254 HydrophobicContact CG1-CG2 4.08Å; V177-V254 HydrophobicContact CG2-CB 4.02Å; V177-V254 HydrophobicContact CG2-CG2 3.9Å; I207-V254 CarbonylContact O-C 3.53Å; I207-V254 WeakPolarHBondContact O-CA 3.39Å; F208-V254 HydrophobicContact CD1-CB 4.4Å; F208-V254 HydrophobicContact CD1-CG1 4Å; F208-V254 HydrophobicContact CD1-CG2 3.67Å; F208-V254 HydrophobicContact CE1-CG1 3.76Å; F208-V254 HydrophobicContact CE1-CG2 4Å; F208-V254 HydrophobicContact CZ-CG1 4.34Å; L252-V254 HydrophobicContact CD1-CG2 4.12Å; L252-V254 HydrophobicContact CD2-CG2 4.12Å; L252-V254 HydrophobicContact CG-CG2 3.93Å; V254-F267 HydrophobicContact CB-CB 3.88Å; V254-F267 HydrophobicContact CG1-CB 4.17Å; V254-F267 HydrophobicContact CG1-CG 4.3Å; V254-F267 WeakPolarHBondContact O-CB 3.32Å; V254-F267 PolarHBondContact O-N 2.79Å |
| 255 | F | 93.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 1% | 0.013 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 138.8 | 179 | -60.6 | -92.7 | 0 | 0 | 0 | 110 | Y206 I207 L209 F216 L219 V265 P266 | Y206-F255 CarbonylContact C-O 3.56Å; Y206-F255 WeakPolarHBondContact CA-O 3.46Å; I207-F255 HydrophobicContact CB-CB 4.45Å; I207-F255 PolarHBondContact N-O 3.48Å; I207-F255 PolarHBondContact O-N 2.82Å; L209-F255 HydrophobicContact CD1-CD2 4.34Å; L209-F255 HydrophobicContact CD1-CE2 3.67Å; L209-F255 HydrophobicContact CG-CD2 4.36Å; L209-F255 HydrophobicContact CG-CE2 4.09Å; F216-F255 HydrophobicContact CB-CZ 4.28Å; F216-F255 VanDerWaalsContact O-CZ 3.29Å; F216-F255 WeakPolarHBondContact O-CZ 3.12Å; L219-F255 HydrophobicContact CB-CD1 4.18Å; L219-F255 HydrophobicContact CB-CD2 4.44Å; L219-F255 HydrophobicContact CB-CE1 4.3Å; L219-F255 HydrophobicContact CB-CG 4.24Å; L219-F255 HydrophobicContact CB-CZ 4.49Å; L219-F255 HydrophobicContact CD1-CD2 4.06Å; L219-F255 HydrophobicContact CD1-CE2 4.44Å; L219-F255 HydrophobicContact CD1-CG 4.43Å; F255-V265 CarbonylContact C-O 3.5Å; F255-V265 WeakPolarHBondContact CA-O 3.27Å; F255-P266 HydrophobicContact CD1-CB 3.96Å; F255-P266 HydrophobicContact CE1-CB 3.78Å |
| 256 | A | 91.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 131.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109 | L168 L172 L204 E205 Y206 T264 V265 F267 | L168-A256 HydrophobicContact CD2-CB 4.11Å; L172-A256 HydrophobicContact CD1-CB 3.4Å; L172-A256 VanDerWaalsContact CD1-CB 3.4Å; L204-A256 HydrophobicContact CD1-CB 4.07Å; E205-A256 CarbonylContact O-C 3.56Å; Y206-A256 HydrophobicContact CD1-CB 4.39Å; Y206-A256 HydrophobicContact CE1-CB 4.16Å; A256-T264 CarbonylContact O-C 3.57Å; A256-T264 VanDerWaalsContact O-CA 3.32Å; A256-T264 WeakPolarHBondContact O-CA 3.37Å; A256-V265 HydrophobicContact CB-CB 4.43Å; A256-V265 PolarHBondContact N-O 2.81Å; A256-V265 PolarHBondContact O-N 3.01Å; A256-F267 HydrophobicContact CB-CD2 4.42Å; A256-F267 HydrophobicContact CB-CE2 3.7Å |
| 257 | F | 90.9 | Very high | 90.9 | Very high | 40 Ų | 40 | 31.9 Ų | 31.9 | 18% | 0.175 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133.9 | 177.7 | 176.6 | -120.4 | 0 | 0 | 0 | 109.8 | E205 I207 P259 I262 E263 T264 | E205-F257 PolarHBondContact N-O 3.5Å; E205-F257 PolarHBondContact O-N 3.46Å; I207-F257 HydrophobicContact CD1-CB 3.49Å; I207-F257 VanDerWaalsContact CD1-CB 3.49Å; I207-F257 HydrophobicContact CD1-CD1 4.11Å; I207-F257 HydrophobicContact CD1-CG 3.95Å; I207-F257 HydrophobicContact CG1-CB 4.29Å; F257-P259 HydrophobicContact CD1-CG 3.94Å; F257-P259 HydrophobicContact CE1-CB 4.04Å; F257-P259 HydrophobicContact CE1-CG 3.69Å; F257-P259 HydrophobicContact CZ-CB 4.46Å; F257-I262 HydrophobicContact CE2-CG2 4.1Å; F257-I262 HydrophobicContact CZ-CG2 4.47Å; F257-E263 WeakPolarHBondContact CA-O 3.44Å; F257-E263 WeakPolarHBondContact CD2-O 3.43Å; F257-T264 HydrophobicContact CB-CG2 4.5Å; F257-T264 HydrophobicContact CD2-CG2 3.51Å; F257-T264 HydrophobicContact CE2-CG2 4.17Å; F257-T264 HydrophobicContact CG-CG2 4.4Å |
| 258 | R | 88.1 | Confident | 91.3 | Very high | 42 Ų | 42 | 29.9 Ų | 29.9 | 16% | 0.158 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 106.1 | 176.1 | -174.2 | 173.4 | -158.1 | 172.3 | 8.1 | 109.1 | L168 D203 S260 T261 I262 E263 | L168-R258 HydrophobicContact CD2-CB 3.94Å; D203-R258 WeakPolarHBondContact OD1-CG 3.11Å; D203-R258 IonicContact OD1-CZ 3.63Å; D203-R258 IonicContact OD1-NE 3.7Å; D203-R258 PolarHBondContact OD1-NE 2.8Å; D203-R258 IonicContact OD1-NH2 3.48Å; D203-R258 PolarHBondContact OD1-NH2 2.63Å; D203-R258 WeakPolarHBondContact OD2-CG 3.28Å; D203-R258 IonicContact OD2-NE 3.61Å; R258-S260 PolarHBondContact O-N 2.85Å; R258-T261 WeakPolarHBondContact CB-OG1 3.21Å; R258-T261 WeakPolarHBondContact CD-OG1 3.34Å; R258-T261 HydrophobicContact CG-CG2 4.41Å; R258-T261 PolarHBondContact O-N 2.85Å; R258-I262 VanDerWaalsContact O-CA 3.27Å; R258-I262 WeakPolarHBondContact O-CA 3.24Å; R258-I262 PolarHBondContact O-N 3.37Å; R258-E263 PolarHBondContact N-O 3.03Å; R258-E263 PolarHBondContact O-N 3.12Å |
| 259 | P | 87.8 | Confident | 91.5 | Very high | 39 Ų | 39 | 31 Ų | 31 | 25% | 0.253 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -35.3 | -175.8 | -24.1 | 36 | 0 | 0 | 0 | 114.6 | D203 E205 F257 T261 I262 | D203-P259 WeakPolarHBondContact O-CD 3Å; E205-P259 HydrophobicContact CG-CG 4.33Å; F257-P259 HydrophobicContact CD1-CG 3.94Å; F257-P259 HydrophobicContact CE1-CB 4.04Å; F257-P259 HydrophobicContact CE1-CG 3.69Å; F257-P259 HydrophobicContact CZ-CB 4.46Å; P259-T261 VanDerWaalsContact C-N 3.33Å; P259-T261 PolarHBondContact O-N 2.83Å; P259-I262 PolarHBondContact O-N 3.09Å |
| 260 | S | 85.8 | Confident | 91.6 | Very high | 63 Ų | 63 | 25 Ų | 25 | 44% | 0.441 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -40.6 | 179.9 | 64.4 | 0 | 0 | 0 | 0 | 111.8 | D203 R258 | D203-S260 VanDerWaalsContact CG-OG 3.3Å; D203-S260 WeakPolarHBondContact OD2-CA 3.39Å; D203-S260 WeakPolarHBondContact OD2-CB 3.3Å; D203-S260 PolarHBondContact OD2-N 3Å; D203-S260 PolarHBondContact OD2-OG 3.46Å; R258-S260 PolarHBondContact O-N 2.85Å |
| 261 | T | 86.3 | Confident | 91.7 | Very high | 22 Ų | 22 | 26.9 Ų | 26.9 | 14% | 0.135 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -27.1 | 177.3 | 66.7 | 0 | 0 | 0 | 0 | 110.8 | P40 R159 R258 P259 E263 | P40-T261 WeakPolarHBondContact CB-O 3.36Å; P40-T261 WeakPolarHBondContact CG-O 3.2Å; R159-T261 PolarHBondContact NH1-O 2.87Å; R159-T261 PolarHBondContact NH2-O 3.05Å; R258-T261 WeakPolarHBondContact CB-OG1 3.21Å; R258-T261 WeakPolarHBondContact CD-OG1 3.34Å; R258-T261 HydrophobicContact CG-CG2 4.41Å; R258-T261 PolarHBondContact O-N 2.85Å; P259-T261 VanDerWaalsContact C-N 3.33Å; P259-T261 PolarHBondContact O-N 2.83Å; T261-E263 VanDerWaalsContact C-N 3.28Å; T261-E263 WeakPolarHBondContact OG1-CB 3.28Å; T261-E263 PolarHBondContact OG1-N 2.86Å |
| 262 | I | 89.5 | Confident | 91.5 | Very high | 24 Ų | 24 | 26.1 Ų | 26.1 | 12% | 0.123 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 36 | -165.5 | -34.2 | 168.7 | 0 | 0 | 0 | 111.4 | P18 P40 L42 R159 F257 R258 P259 | P18-I262 HydrophobicContact CB-CD1 4Å; P18-I262 HydrophobicContact CB-CG1 4.45Å; P18-I262 HydrophobicContact CG-CG1 4.48Å; P40-I262 HydrophobicContact CG-CD1 4.35Å; P40-I262 HydrophobicContact CG-CG1 4.37Å; L42-I262 HydrophobicContact CB-CD1 4.42Å; L42-I262 HydrophobicContact CB-CG2 4.3Å; L42-I262 HydrophobicContact CD2-CG2 3.84Å; L42-I262 HydrophobicContact CG-CG2 4.5Å; R159-I262 PolarHBondContact NH1-O 3.1Å; R159-I262 VanDerWaalsContact NH1-O 3.13Å; F257-I262 HydrophobicContact CE2-CG2 4.1Å; F257-I262 HydrophobicContact CZ-CG2 4.47Å; R258-I262 VanDerWaalsContact O-CA 3.27Å; R258-I262 WeakPolarHBondContact O-CA 3.24Å; R258-I262 PolarHBondContact O-N 3.37Å; P259-I262 PolarHBondContact O-N 3.09Å |
| 263 | E | 89 | Confident | 91.3 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 137.5 | 172.6 | -170.5 | 170.7 | -169.5 | 0 | 0 | 109.9 | R67 S167 L168 F257 R258 T261 V265 | R67-E263 IonicContact CZ-OE1 3.54Å; R67-E263 IonicContact NH1-OE1 3.09Å; R67-E263 PolarHBondContact NH1-OE1 2.81Å; R67-E263 IonicContact NH1-OE2 2.87Å; R67-E263 PolarHBondContact NH1-OE2 3.37Å; R67-E263 IonicContact NH2-OE1 2.83Å; R67-E263 PolarHBondContact NH2-OE1 3.06Å; S167-E263 PolarHBondContact OG-OE1 2.82Å; L168-E263 HydrophobicContact CB-CB 4.29Å; L168-E263 VanDerWaalsContact CB-CD 3.41Å; L168-E263 HydrophobicContact CB-CG 3.9Å; L168-E263 VanDerWaalsContact CB-OE2 3.25Å; L168-E263 WeakPolarHBondContact CB-OE2 3.49Å; L168-E263 VanDerWaalsContact N-CD 3.26Å; L168-E263 PolarHBondContact N-OE1 3.22Å; L168-E263 PolarHBondContact N-OE2 3.44Å; F257-E263 WeakPolarHBondContact CA-O 3.44Å; F257-E263 WeakPolarHBondContact CD2-O 3.43Å; R258-E263 PolarHBondContact N-O 3.03Å; R258-E263 PolarHBondContact O-N 3.12Å; T261-E263 VanDerWaalsContact C-N 3.28Å; T261-E263 WeakPolarHBondContact OG1-CB 3.28Å; T261-E263 PolarHBondContact OG1-N 2.86Å; E263-V265 HydrophobicContact CG-CG2 4.36Å |
| 264 | T | 91.8 | Very high | 90.8 | Very high | 18 Ų | 18 | 29.1 Ų | 29.1 | 11% | 0.11 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.2 | 172.8 | 52.2 | 0 | 0 | 0 | 0 | 109.1 | Q129 L219 A256 F257 | Q129-T264 PolarHBondContact NE2-O 3.36Å; Q129-T264 PolarHBondContact OE1-O 3.23Å; L219-T264 HydrophobicContact CB-CG2 4.46Å; L219-T264 HydrophobicContact CD2-CG2 3.86Å; A256-T264 CarbonylContact O-C 3.57Å; A256-T264 VanDerWaalsContact O-CA 3.32Å; A256-T264 WeakPolarHBondContact O-CA 3.37Å; F257-T264 HydrophobicContact CB-CG2 4.5Å; F257-T264 HydrophobicContact CD2-CG2 3.51Å; F257-T264 HydrophobicContact CE2-CG2 4.17Å; F257-T264 HydrophobicContact CG-CG2 4.4Å |
| 265 | V | 90.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 119.2 | 179.3 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | L168 A169 F255 A256 E263 | L168-V265 HydrophobicContact CB-CG2 3.79Å; L168-V265 HydrophobicContact CD2-CB 4.45Å; L168-V265 HydrophobicContact CD2-CG2 3.88Å; L168-V265 HydrophobicContact CG-CG2 3.79Å; A169-V265 HydrophobicContact CB-CG1 4.27Å; A169-V265 HydrophobicContact CB-CG2 3.91Å; F255-V265 CarbonylContact C-O 3.5Å; F255-V265 WeakPolarHBondContact CA-O 3.27Å; A256-V265 HydrophobicContact CB-CB 4.43Å; A256-V265 PolarHBondContact N-O 2.81Å; A256-V265 PolarHBondContact O-N 3.01Å; E263-V265 HydrophobicContact CG-CG2 4.36Å |
| 266 | P | 92.4 | Very high | 88.5 | Confident | 30 Ų | 30 | 35.9 Ų | 35.9 | 20% | 0.195 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 140.7 | 176 | 29.8 | -33.1 | 0 | 0 | 0 | 110.9 | R175 F255 | R175-P266 VanDerWaalsContact CD-O 3.24Å; R175-P266 WeakPolarHBondContact CD-O 3.44Å; R175-P266 PolarHBondContact NH1-O 2.85Å; F255-P266 HydrophobicContact CD1-CB 3.96Å; F255-P266 HydrophobicContact CE1-CB 3.78Å |
| 267 | F | 93 | Very high | 87.1 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 7% | 0.066 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -96.6 | 173.4 | 167.2 | -84.6 | -122.9 | 0 | 0 | 0 | 110.4 | L172 R175 V177 W192 D193 Y206 V254 A256 S269 | L172-F267 HydrophobicContact CD1-CE2 4.06Å; L172-F267 HydrophobicContact CD1-CZ 4.27Å; R175-F267 HydrophobicContact CB-CB 4.44Å; R175-F267 HydrophobicContact CB-CD1 4.08Å; R175-F267 HydrophobicContact CB-CE1 4.49Å; R175-F267 HydrophobicContact CB-CG 4.15Å; R175-F267 WeakPolarHBondContact O-CD1 3.23Å; V177-F267 HydrophobicContact CG2-CB 3.88Å; V177-F267 HydrophobicContact CG2-CD1 4.19Å; W192-F267 HydrophobicContact CB-CD1 4.34Å; W192-F267 HydrophobicContact CB-CE1 4.4Å; D193-F267 WeakPolarHBondContact O-CE1 3.47Å; Y206-F267 HydrophobicContact CE1-CE1 4.42Å; Y206-F267 HydrophobicContact CE1-CE2 4.13Å; Y206-F267 AromaticContact CE1-CZ 3.79Å; Y206-F267 HydrophobicContact CE1-CZ 3.79Å; V254-F267 HydrophobicContact CB-CB 3.88Å; V254-F267 HydrophobicContact CG1-CB 4.17Å; V254-F267 HydrophobicContact CG1-CG 4.3Å; V254-F267 WeakPolarHBondContact O-CB 3.32Å; V254-F267 PolarHBondContact O-N 2.79Å; A256-F267 HydrophobicContact CB-CD2 4.42Å; A256-F267 HydrophobicContact CB-CE2 3.7Å; F267-S269 PolarHBondContact O-N 3.05Å |
| 268 | D | 92.8 | Very high | 85.4 | Confident | 96 Ų | 96 | 42.1 Ų | 42.1 | 51% | 0.513 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 138.6 | 172.3 | -66.5 | -17.7 | 0 | 0 | 0 | 110.2 | R175 G176 V177 | R175-D268 WeakPolarHBondContact O-CB 3.41Å; R175-D268 PolarHBondContact O-N 2.93Å; G176-D268 WeakPolarHBondContact CA-OD2 3.38Å; V177-D268 WeakPolarHBondContact CB-O 3.1Å; V177-D268 WeakPolarHBondContact CG2-O 3.31Å |
| 269 | S | 92.9 | Very high | 84.1 | Confident | 57 Ų | 57 | 41.8 Ų | 41.8 | 40% | 0.399 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -88.9 | 154 | 174.8 | 64.9 | 0 | 0 | 0 | 0 | 110.8 | L252 F267 | L252-S269 WeakPolarHBondContact O-CA 3.36Å; L252-S269 WeakPolarHBondContact O-CB 3.34Å; F267-S269 PolarHBondContact O-N 3.05Å |
| 270 | A | 94.6 | Very high | 83.5 | Confident | 22 Ų | 22 | 41.6 Ų | 41.6 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 156.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V177 V179 L252 | V177-A270 HydrophobicContact CG1-CB 4.4Å; V179-A270 HydrophobicContact CG2-CB 3.8Å; L252-A270 HydrophobicContact CB-CB 4.43Å; L252-A270 HydrophobicContact CD2-CB 4.41Å; L252-A270 PolarHBondContact N-O 2.82Å; L252-A270 PolarHBondContact O-N 3.2Å |
| 271 | A | 94.4 | Very high | 83.1 | Confident | 48 Ų | 48 | 39.8 Ų | 39.8 | 40% | 0.397 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 143.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y250 F251 | Y250-A271 VanDerWaalsContact O-CA 3.23Å; Y250-A271 WeakPolarHBondContact O-CA 3.37Å; F251-A271 HydrophobicContact CD1-CB 3.94Å; F251-A271 HydrophobicContact CE1-CB 4.25Å |
| 272 | F | 92.5 | Very high | 83.1 | Confident | 24 Ų | 24 | 43.1 Ų | 43.1 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 151.6 | 178.6 | 60.9 | -88.9 | 0 | 0 | 0 | 110 | V179 V188 L210 L244 R249 Y250 L252 T274 | V179-F272 HydrophobicContact CB-CD1 4.41Å; V179-F272 HydrophobicContact CG1-CB 4.28Å; V179-F272 HydrophobicContact CG1-CD1 3.74Å; V179-F272 HydrophobicContact CG1-CE1 4.21Å; V179-F272 HydrophobicContact CG1-CG 3.99Å; V179-F272 HydrophobicContact CG2-CD1 4.24Å; V188-F272 HydrophobicContact CB-CE2 4.23Å; V188-F272 HydrophobicContact CB-CZ 4.42Å; V188-F272 HydrophobicContact CG1-CD1 4.48Å; V188-F272 HydrophobicContact CG1-CD2 4.18Å; V188-F272 HydrophobicContact CG1-CE1 4.12Å; V188-F272 HydrophobicContact CG1-CE2 3.82Å; V188-F272 HydrophobicContact CG1-CZ 3.77Å; V188-F272 HydrophobicContact CG2-CD2 4.11Å; V188-F272 HydrophobicContact CG2-CE2 3.73Å; V188-F272 HydrophobicContact CG2-CZ 4.4Å; L210-F272 HydrophobicContact CD1-CE1 3.85Å; L210-F272 HydrophobicContact CD1-CZ 3.8Å; L244-F272 HydrophobicContact CD1-CE2 3.77Å; L244-F272 HydrophobicContact CD1-CZ 3.95Å; R249-F272 WeakPolarHBondContact CA-O 3.41Å; Y250-F272 AromaticContact CD2-CE2 3.98Å; Y250-F272 HydrophobicContact CD2-CE2 3.98Å; Y250-F272 HydrophobicContact CD2-CZ 4.46Å; Y250-F272 HydrophobicContact CG-CE2 4.26Å; Y250-F272 HydrophobicContact CG-CZ 4.31Å; Y250-F272 PolarHBondContact N-O 3.05Å; Y250-F272 PolarHBondContact O-N 2.74Å; L252-F272 HydrophobicContact CB-CE1 4.39Å; F272-T274 HydrophobicContact CD2-CG2 4.34Å; F272-T274 HydrophobicContact CE2-CG2 4.11Å |
| 273 | T | 90.5 | Very high | 83.1 | Confident | 62 Ų | 62 | 43.7 Ų | 43.7 | 38% | 0.38 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.3 | 172 | -56.7 | 0 | 0 | 0 | 0 | 107.6 | Q181 T275 | Q181-T273 PolarHBondContact OE1-O 3.15Å; T273-T275 PolarHBondContact O-N 2.79Å |
| 274 | T | 84.3 | Confident | 83.4 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | trans | -74.3 | 119.6 | 178.7 | 46.8 | 0 | 0 | 0 | 0 | 110.3 | V188 L244 L245 T246 D247 V248 Y250 F272 | V188-T274 HydrophobicContact CG2-CG2 4.5Å; L244-T274 HydrophobicContact CB-CG2 3.9Å; L244-T274 HydrophobicContact CD1-CG2 4.24Å; L245-T274 WeakPolarHBondContact O-CB 3.33Å; L245-T274 PolarHBondContact O-OG1 2.91Å; T246-T274 WeakPolarHBondContact CA-OG1 3.36Å; D247-T274 VanDerWaalsContact CA-O 3.31Å; D247-T274 WeakPolarHBondContact CA-O 3.24Å; D247-T274 PolarHBondContact N-O 2.92Å; D247-T274 PolarHBondContact N-OG1 2.97Å; V248-T274 PolarHBondContact N-OG1 3.49Å; V248-T274 PolarHBondContact O-N 2.83Å; V248-T274 PolarHBondContact O-OG1 3Å; Y250-T274 HydrophobicContact CD2-CG2 4.04Å; Y250-T274 HydrophobicContact CE2-CG2 3.95Å; F272-T274 HydrophobicContact CD2-CG2 4.34Å; F272-T274 HydrophobicContact CE2-CG2 4.11Å | ||
| 275 | T | 75.5 | Confident | 83.6 | Confident | 106 Ų | 106 | 49.2 Ų | 49.2 | 65% | 0.65 | 31% | 0.305 | S | S | * | . | trans | -93.5 | -31.7 | -175.4 | 57 | 0 | 0 | 0 | 0 | 114.6 | Q181 T273 | Q181-T275 VanDerWaalsContact OE1-N 3.08Å; Q181-T275 PolarHBondContact OE1-OG1 3.12Å; T273-T275 PolarHBondContact O-N 2.79Å | ||
| 276 | N | 65.4 | Low | 83.8 | Confident | 40 Ų | 40 | 53.3 Ų | 53.3 | 21% | 0.214 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -87 | 151.7 | -175 | -80 | -6.6 | 0 | 0 | 0 | 112.1 | S182 A183 G186 T246 | S182-N276 PolarHBondContact O-ND2 3.19Å; A183-N276 VanDerWaalsContact C-ND2 3.27Å; A183-N276 PolarHBondContact O-ND2 2.81Å; G186-N276 PolarHBondContact N-ND2 3.31Å; T246-N276 WeakPolarHBondContact CB-O 3.22Å; T246-N276 WeakPolarHBondContact CG2-O 3.44Å |
| 277 | P | 60.2 | Low | 84 | Confident | 97 Ų | 97 | 54.9 Ų | 54.9 | 63% | 0.63 | 34% | 0.336 | S | S | * | . | trans | -53.7 | 160.9 | 166.8 | 22.7 | -31.4 | 0 | 0 | 0 | 110.5 | S279 | P277-S279 PolarHBondContact O-N 2.88Å; P277-S279 PolarHBondContact O-OG 2.75Å | ||
| 278 | L | 55.8 | Low | 84.1 | Confident | 75 Ų | 75 | 55.1 Ų | 55.1 | 39% | 0.393 | 34% | 0.343 | S | S | . | . | trans | -61.1 | 79.5 | 174.6 | -87.3 | 161.7 | 0 | 0 | 0 | 108.6 | G243 L244 L245 T246 | G243-L278 WeakPolarHBondContact O-CD2 3.37Å; L244-L278 WeakPolarHBondContact O-CD2 3.18Å; L245-L278 HydrophobicContact CD2-CD1 4.28Å; T246-L278 HydrophobicContact CG2-CB 4.21Å; T246-L278 HydrophobicContact CG2-CG 3.86Å | ||
| 279 | S | 61.2 | Low | 84.2 | Confident | 35 Ų | 35 | 55.9 Ų | 55.9 | 25% | 0.245 | 34% | 0.344 | C | S | . | . | trans | -92.8 | 107.7 | 170.4 | 43.8 | 0 | 0 | 0 | 0 | 106.3 | D185 P277 | D185-S279 VanDerWaalsContact CA-OG 3.23Å; D185-S279 WeakPolarHBondContact CA-OG 3.05Å; D185-S279 PolarHBondContact O-OG 2.83Å; P277-S279 PolarHBondContact O-N 2.88Å; P277-S279 PolarHBondContact O-OG 2.75Å | ||
| 280 | Y | 74.7 | Confident | 84.3 | Confident | 34 Ų | 34 | 55 Ų | 55 | 13% | 0.133 | 33% | 0.334 | C | S | . | . | trans | -69.2 | 138.2 | 162.9 | -60.5 | -65.9 | 0 | 0 | 0 | 107.6 | S282 A302 I304 F364 | Y280-S282 PolarHBondContact O-N 2.88Å; Y280-S282 VanDerWaalsContact O-N 3.16Å; Y280-A302 HydrophobicContact CD1-CB 3.49Å; Y280-A302 VanDerWaalsContact CD1-CB 3.49Å; Y280-A302 HydrophobicContact CE1-CB 3.63Å; Y280-A302 HydrophobicContact CG-CB 4.01Å; Y280-I304 HydrophobicContact CD2-CD1 4.08Å; Y280-I304 HydrophobicContact CD2-CG1 4.48Å; Y280-I304 HydrophobicContact CG-CD1 4.49Å; Y280-F364 HydrophobicContact CE1-CE1 4.37Å; Y280-F364 HydrophobicContact CE2-CE1 4.26Å; Y280-F364 AromaticContact CZ-CE1 3.83Å | ||
| 281 | P | 79 | Confident | 84.3 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 17% | 0.169 | 34% | 0.336 | C | S | . | . | trans | -45.8 | 127.1 | 170.8 | -25.7 | 28.6 | 0 | 0 | 0 | 109.8 | A302 R303 I304 | P281-A302 WeakPolarHBondContact CD-O 3.26Å; P281-R303 WeakPolarHBondContact O-CA 3.42Å; P281-R303 WeakPolarHBondContact O-CG 3.45Å; P281-I304 PolarHBondContact O-N 3.47Å | ||
| 282 | S | 85.1 | Confident | 84.4 | Confident | 92 Ų | 92 | 58 Ų | 58 | 64% | 0.643 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 136.7 | 177.6 | 60.3 | 0 | 0 | 0 | 0 | 110.9 | Y280 I304 | Y280-S282 PolarHBondContact O-N 2.88Å; Y280-S282 VanDerWaalsContact O-N 3.16Å; S282-I304 CarbonylContact C-O 3.55Å; S282-I304 WeakPolarHBondContact CA-O 3.5Å |
| 283 | S | 90.2 | Very high | 84.4 | Confident | 35 Ų | 35 | 56.8 Ų | 56.8 | 25% | 0.245 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 138.2 | 172 | 46.1 | 0 | 0 | 0 | 0 | 110.4 | I304 H305 V306 | S283-I304 PolarHBondContact N-O 3.48Å; S283-H305 CarbonylContact O-C 3.59Å; S283-H305 VanDerWaalsContact O-CA 3.27Å; S283-H305 WeakPolarHBondContact O-CA 3.2Å; S283-H305 PolarHBondContact OG-CE1 2.93Å; S283-H305 PolarHBondContact OG-ND1 3.3Å; S283-V306 PolarHBondContact O-N 2.86Å |
| 284 | T | 94.3 | Very high | 84.5 | Confident | 125 Ų | 125 | 59.2 Ų | 59.2 | 77% | 0.767 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 135.1 | 170.4 | 50.9 | 0 | 0 | 0 | 0 | 109.7 | V306 | T284-V306 CarbonylContact C-O 3.53Å; T284-V306 WeakPolarHBondContact CA-O 3.27Å |
| 285 | I | 96.2 | Very high | 84.7 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 6% | 0.062 | 34% | 0.343 | C | S | . | . | trans | -112.8 | 151.9 | 172.2 | 60.7 | 168.6 | 0 | 0 | 0 | 109.9 | T291 H305 V306 L307 I361 L375 A377 | I285-T291 HydrophobicContact CG2-CG2 4.01Å; I285-T291 WeakPolarHBondContact CG2-OG1 3.38Å; I285-H305 HydrophobicContact CD1-CB 4.18Å; I285-H305 HydrophobicContact CG1-CB 4.38Å; I285-H305 HydrophobicContact CG2-CB 3.92Å; I285-V306 PolarHBondContact N-O 3.33Å; I285-L307 HydrophobicContact CD1-CB 4.09Å; I285-L307 HydrophobicContact CG1-CB 3.86Å; I285-L307 HydrophobicContact CG1-CD1 4.31Å; I285-I361 HydrophobicContact CD1-CD1 4.22Å; I285-L375 HydrophobicContact CD1-CD2 4.01Å; I285-L375 HydrophobicContact CD1-CG 4.46Å; I285-A377 HydrophobicContact CD1-CB 4.09Å | ||
| 286 | V | 95.7 | Very high | 85 | Confident | 85 Ų | 85 | 55.3 Ų | 55.3 | 52% | 0.515 | 32% | 0.322 | S | S | . | . | trans | -96.6 | 138.9 | -179.7 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | G288 Q289 | V286-G288 PolarHBondContact O-N 2.88Å; V286-Q289 HydrophobicContact CB-CB 3.91Å; V286-Q289 HydrophobicContact CG1-CB 4.39Å; V286-Q289 PolarHBondContact O-N 3.31Å; V286-Q289 VanDerWaalsContact O-N 3.1Å | ||
| 287 | D | 95.6 | Very high | 85.6 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 34% | 0.337 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 129.2 | 176.6 | -172.1 | 82.7 | 0 | 0 | 0 | 110.7 | Q289 L307 S378 V379 | D287-Q289 PolarHBondContact O-N 3.21Å; D287-L307 HydrophobicContact CB-CD1 4.06Å; D287-S378 WeakPolarHBondContact OD1-CA 3.12Å; D287-S378 PolarHBondContact OD1-OG 2.85Å; D287-S378 PolarHBondContact OD2-OG 3.21Å; D287-V379 PolarHBondContact OD1-N 2.6Å; D287-V379 VanDerWaalsContact OD1-N 3.14Å |
| 288 | G | 95.1 | Very high | 86.2 | Confident | 21 Ų | 21 | 49.7 Ų | 49.7 | 22% | 0.216 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | -4.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | V286 W376 A377 | V286-G288 PolarHBondContact O-N 2.88Å; G288-W376 VanDerWaalsContact C-NE1 3.34Å; G288-W376 VanDerWaalsContact O-CD1 3.31Å; G288-W376 PolarHBondContact O-NE1 2.81Å; G288-A377 PolarHBondContact N-O 2.79Å |
| 289 | Q | 95.2 | Very high | 87.1 | Confident | 111 Ų | 111 | 50.1 Ų | 50.1 | 52% | 0.519 | 29% | 0.287 | S | S | . | . | trans | -97.7 | 131.7 | -178.8 | -167.3 | 176.5 | -0.8 | 0 | 0 | 112.2 | V286 D287 T291 | V286-Q289 HydrophobicContact CB-CB 3.91Å; V286-Q289 HydrophobicContact CG1-CB 4.39Å; V286-Q289 PolarHBondContact O-N 3.31Å; V286-Q289 VanDerWaalsContact O-N 3.1Å; D287-Q289 PolarHBondContact O-N 3.21Å; Q289-T291 PolarHBondContact O-N 2.92Å | ||
| 290 | L | 94.7 | Very high | 87.6 | Confident | 38 Ų | 38 | 53.1 Ų | 53.1 | 20% | 0.199 | 29% | 0.293 | C | S | . | . | trans | -73.1 | 125.9 | 173.5 | -168.7 | 72.1 | 0 | 0 | 0 | 110.8 | K374 W376 P385 Y386 E497 | L290-K374 HydrophobicContact CD1-CB 3.97Å; L290-K374 HydrophobicContact CD2-CD 4.18Å; L290-K374 HydrophobicContact CG-CB 4.35Å; L290-W376 HydrophobicContact CD1-CB 3.79Å; L290-P385 HydrophobicContact CD1-CG 4.2Å; L290-Y386 HydrophobicContact CD1-CE2 4.37Å; L290-E497 HydrophobicContact CD2-CG 3.43Å; L290-E497 VanDerWaalsContact CD2-CG 3.43Å; L290-E497 WeakPolarHBondContact CD2-OE1 3.26Å | ||
| 291 | T | 95.9 | Very high | 88 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 21% | 0.209 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 132.3 | 179 | -58.8 | 0 | 0 | 0 | 0 | 110 | I285 Q289 K374 L375 | I285-T291 HydrophobicContact CG2-CG2 4.01Å; I285-T291 WeakPolarHBondContact CG2-OG1 3.38Å; Q289-T291 PolarHBondContact O-N 2.92Å; T291-K374 CarbonylContact O-C 3.55Å; T291-K374 WeakPolarHBondContact O-CA 3.49Å; T291-L375 PolarHBondContact N-O 3.28Å; T291-L375 PolarHBondContact O-N 2.95Å |
| 292 | I | 94.5 | Very high | 88.4 | Confident | 99 Ų | 99 | 50.6 Ų | 50.6 | 51% | 0.508 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.4 | 174 | -51.8 | -178 | 0 | 0 | 0 | 108.7 | T372 K374 | I292-T372 HydrophobicContact CG2-CG2 4.22Å; I292-K374 HydrophobicContact CG1-CG 4.3Å |
| 293 | A | 94.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 160.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y373 | A293-Y373 HydrophobicContact CB-CD1 4.47Å; A293-Y373 HydrophobicContact CB-CD2 4.46Å; A293-Y373 HydrophobicContact CB-CE1 3.78Å; A293-Y373 HydrophobicContact CB-CE2 3.79Å; A293-Y373 VanDerWaalsContact CB-CZ 3.43Å; A293-Y373 WeakPolarHBondContact CB-OH 3.06Å; A293-Y373 PolarHBondContact N-O 2.79Å; A293-Y373 WeakPolarHBondContact O-CD1 2.9Å; A293-Y373 PolarHBondContact O-N 3.02Å |
| 294 | H | 91.4 | Very high | 88.8 | Confident | 113 Ų | 113 | 49.1 Ų | 49.1 | 52% | 0.523 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 141.5 | -174.7 | -55.2 | 84.8 | 0 | 0 | 0 | 109.5 | K371 T372 | H294-K371 CarbonylContact C-O 3.54Å; H294-K371 VanDerWaalsContact CA-O 3.26Å; H294-K371 WeakPolarHBondContact CA-O 3.4Å; H294-T372 PolarHBondContact CD2-OG1 2.9Å; H294-T372 VanDerWaalsContact CD2-OG1 3.28Å |
| 295 | L | 89.3 | Confident | 88.9 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 142.5 | 168.5 | -51.3 | 177.7 | 0 | 0 | 0 | 108.6 | R303 L327 V363 N365 K371 Y373 | L295-R303 HydrophobicContact CD2-CB 3.86Å; L295-L327 HydrophobicContact CD1-CD2 3.95Å; L295-V363 HydrophobicContact CD1-CG1 4.18Å; L295-N365 HydrophobicContact CB-CB 4.34Å; L295-N365 HydrophobicContact CD1-CB 4.03Å; L295-N365 VanDerWaalsContact CD1-N 3.33Å; L295-K371 HydrophobicContact CB-CB 4.03Å; L295-K371 HydrophobicContact CB-CG 4.5Å; L295-K371 HydrophobicContact CD1-CB 4.24Å; L295-K371 HydrophobicContact CG-CB 4.3Å; L295-K371 PolarHBondContact N-O 2.01Å; L295-K371 PolarHBondContact O-N 2.04Å; L295-K371 VanDerWaalsContact O-N 3.1Å; L295-Y373 HydrophobicContact CD1-CE1 4.18Å; L295-Y373 HydrophobicContact CD2-CE1 4.01Å; L295-Y373 HydrophobicContact CG-CD1 4.44Å; L295-Y373 HydrophobicContact CG-CE1 3.76Å |
| 296 | G | 82.1 | Confident | 88.9 | Confident | 20 Ų | 20 | 43.3 Ų | 43.3 | 21% | 0.206 | 22% | 0.223 | C | C | . | . | trans | -72.3 | 177.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S298 S301 N365 | G296-S298 PolarHBondContact O-N 3.17Å; G296-S301 PolarHBondContact N-OG 2.97Å; G296-N365 PolarHBondContact O-ND2 3.38Å | ||
| 297 | L | 77.7 | Confident | 88.9 | Confident | 18 Ų | 18 | 39.4 Ų | 39.4 | 9% | 0.094 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -63.5 | 6.4 | -175.2 | -64.5 | 164.9 | 0 | 0 | 0 | 116 | F229 I231 L239 D368 E370 | F229-L297 HydrophobicContact CD1-CB 4.41Å; F229-L297 WeakPolarHBondContact CD1-O 2.98Å; I231-L297 HydrophobicContact CD1-CD1 3.91Å; I231-L297 HydrophobicContact CG1-CD1 3.4Å; L239-L297 HydrophobicContact CD1-CD1 4.03Å; L297-D368 CarbonylContact O-C 3.52Å; L297-D368 WeakPolarHBondContact O-CA 3.35Å; L297-D368 VanDerWaalsContact O-O 3.05Å; L297-E370 HydrophobicContact CD2-CB 4.1Å; L297-E370 HydrophobicContact CD2-CG 3.63Å; L297-E370 HydrophobicContact CG-CG 3.78Å |
| 298 | S | 71.9 | Confident | 88.9 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -111.7 | 138.4 | -174.1 | -178 | 0 | 0 | 0 | 0 | 110.8 | G296 Y300 S301 N365 D367 | G296-S298 PolarHBondContact O-N 3.17Å; S298-Y300 PolarHBondContact O-N 3.11Å; S298-Y300 WeakPolarHBondContact OG-CD2 3.45Å; S298-Y300 PolarHBondContact OG-N 2.84Å; S298-Y300 VanDerWaalsContact OG-N 3.13Å; S298-S301 WeakPolarHBondContact O-CB 3.43Å; S298-S301 PolarHBondContact O-N 3.48Å; S298-N365 VanDerWaalsContact O-CB 3.23Å; S298-N365 WeakPolarHBondContact O-CB 3.39Å; S298-N365 PolarHBondContact O-ND2 3.43Å; S298-D367 CarbonylContact C-O 3.57Å |
| 299 | Q | 74.2 | Confident | 88.9 | Confident | 84 Ų | 84 | 40.1 Ų | 40.1 | 39% | 0.393 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -17 | 166.1 | 63.6 | 174.6 | -13.7 | 0 | 0 | 113.8 | D367 D368 | Q299-D367 WeakPolarHBondContact CA-O 3.24Å; Q299-D367 PolarHBondContact N-O 3.45Å; Q299-D368 PolarHBondContact N-OD1 3.06Å |
| 300 | Y | 72.2 | Confident | 88.9 | Confident | 97 Ų | 97 | 43 Ų | 43 | 38% | 0.38 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -12.1 | 174.5 | -58.3 | -76.5 | 0 | 0 | 0 | 113 | M227 S242 S298 A302 | M227-Y300 HydrophobicContact CG-CE2 4.23Å; M227-Y300 HydrophobicContact SD-CD2 3.83Å; M227-Y300 HydrophobicContact SD-CE2 3.31Å; M227-Y300 WeakPolarHBondContact SD-CE2 3.42Å; S242-Y300 CarbonylContact O-C 3.59Å; S298-Y300 PolarHBondContact O-N 3.11Å; S298-Y300 WeakPolarHBondContact OG-CD2 3.45Å; S298-Y300 PolarHBondContact OG-N 2.84Å; S298-Y300 VanDerWaalsContact OG-N 3.13Å; Y300-A302 PolarHBondContact O-N 2.9Å |
| 301 | S | 82.7 | Confident | 88.8 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | trans | -65.4 | 119.7 | 175.7 | -173.4 | 0 | 0 | 0 | 0 | 109.5 | G296 S298 N365 | G296-S301 PolarHBondContact N-OG 2.97Å; S298-S301 WeakPolarHBondContact O-CB 3.43Å; S298-S301 PolarHBondContact O-N 3.48Å; S301-N365 WeakPolarHBondContact O-CB 2.99Å; S301-N365 PolarHBondContact O-N 3.09Å | ||
| 302 | A | 88.2 | Confident | 88.7 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 159.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y280 P281 Y300 V363 F364 | Y280-A302 HydrophobicContact CD1-CB 3.49Å; Y280-A302 VanDerWaalsContact CD1-CB 3.49Å; Y280-A302 HydrophobicContact CE1-CB 3.63Å; Y280-A302 HydrophobicContact CG-CB 4.01Å; P281-A302 WeakPolarHBondContact CD-O 3.26Å; Y300-A302 PolarHBondContact O-N 2.9Å; A302-V363 CarbonylContact C-O 3.54Å; A302-V363 WeakPolarHBondContact CA-O 3.21Å; A302-V363 WeakPolarHBondContact CB-O 3.49Å; A302-F364 HydrophobicContact CB-CB 4.24Å; A302-F364 HydrophobicContact CB-CD1 3.37Å; A302-F364 HydrophobicContact CB-CE1 3.85Å; A302-F364 HydrophobicContact CB-CG 3.8Å |
| 303 | R | 91.3 | Very high | 88.7 | Confident | 76 Ų | 76 | 48.3 Ų | 48.3 | 29% | 0.287 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 140.8 | 177.4 | 178.7 | 169.3 | -81.6 | -174.4 | -5.4 | 109.1 | P281 L295 R362 V363 | P281-R303 WeakPolarHBondContact O-CA 3.42Å; P281-R303 WeakPolarHBondContact O-CG 3.45Å; L295-R303 HydrophobicContact CD2-CB 3.86Å; R303-R362 WeakPolarHBondContact O-CA 3.33Å; R303-V363 PolarHBondContact N-O 3.03Å; R303-V363 PolarHBondContact O-N 3.35Å |
| 304 | I | 92.2 | Very high | 88.7 | Confident | 21 Ų | 21 | 53 Ų | 53 | 11% | 0.108 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 124.8 | 175.2 | -64.4 | 169.8 | 0 | 0 | 0 | 108.4 | Y280 P281 S282 S283 V306 R360 I361 R362 | Y280-I304 HydrophobicContact CD2-CD1 4.08Å; Y280-I304 HydrophobicContact CD2-CG1 4.48Å; Y280-I304 HydrophobicContact CG-CD1 4.49Å; P281-I304 PolarHBondContact O-N 3.47Å; S282-I304 CarbonylContact C-O 3.55Å; S282-I304 WeakPolarHBondContact CA-O 3.5Å; S283-I304 PolarHBondContact N-O 3.48Å; I304-V306 HydrophobicContact CG2-CG2 4.15Å; I304-R360 HydrophobicContact CG2-CB 4.04Å; I304-R360 HydrophobicContact CG2-CG 4.23Å; I304-I361 WeakPolarHBondContact CA-O 3.29Å; I304-R362 HydrophobicContact CG1-CB 4.1Å; I304-R362 HydrophobicContact CG1-CG 3.88Å |
| 305 | H | 96.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129.4 | 170.4 | -63 | -81.7 | 0 | 0 | 0 | 109.6 | S283 I285 R360 I361 Y373 L375 | S283-H305 CarbonylContact O-C 3.59Å; S283-H305 VanDerWaalsContact O-CA 3.27Å; S283-H305 WeakPolarHBondContact O-CA 3.2Å; S283-H305 PolarHBondContact OG-CE1 2.93Å; S283-H305 PolarHBondContact OG-ND1 3.3Å; I285-H305 HydrophobicContact CD1-CB 4.18Å; I285-H305 HydrophobicContact CG1-CB 4.38Å; I285-H305 HydrophobicContact CG2-CB 3.92Å; H305-R360 CarbonylContact O-C 3.57Å; H305-R360 WeakPolarHBondContact O-CA 3.33Å; H305-I361 HydrophobicContact CB-CB 4.32Å; H305-I361 PolarHBondContact N-O 3.4Å; H305-I361 PolarHBondContact O-N 3.3Å; H305-Y373 AromaticContact NE2-CE2 3.67Å; H305-Y373 AromaticContact NE2-CZ 3.62Å; H305-Y373 PolarHBondContact NE2-OH 2.78Å; H305-L375 HydrophobicContact CB-CD2 3.56Å; H305-L375 WeakPolarHBondContact CD2-CD2 3.42Å |
| 306 | V | 95.7 | Very high | 89.2 | Confident | 15 Ų | 15 | 48.8 Ų | 48.8 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 118.5 | -178.2 | -172 | 0 | 0 | 0 | 0 | 108.9 | S283 T284 I285 I304 E358 L359 R360 | S283-V306 PolarHBondContact O-N 2.86Å; T284-V306 CarbonylContact C-O 3.53Å; T284-V306 WeakPolarHBondContact CA-O 3.27Å; I285-V306 PolarHBondContact N-O 3.33Å; I304-V306 HydrophobicContact CG2-CG2 4.15Å; V306-E358 HydrophobicContact CG1-CB 4.45Å; V306-E358 HydrophobicContact CG1-CG 4.43Å; V306-L359 WeakPolarHBondContact CA-O 3.25Å; V306-R360 HydrophobicContact CG2-CG 4.34Å |
| 307 | L | 96.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.9 | 171.4 | 178.1 | 65.4 | 0 | 0 | 0 | 108.9 | I285 D287 L316 L359 A377 | I285-L307 HydrophobicContact CD1-CB 4.09Å; I285-L307 HydrophobicContact CG1-CB 3.86Å; I285-L307 HydrophobicContact CG1-CD1 4.31Å; D287-L307 HydrophobicContact CB-CD1 4.06Å; L307-L316 HydrophobicContact CD2-CD1 3.94Å; L307-L359 HydrophobicContact CB-CB 4.36Å; L307-L359 HydrophobicContact CD2-CD2 4.32Å; L307-L359 PolarHBondContact N-O 2.99Å; L307-L359 PolarHBondContact O-N 3.14Å; L307-A377 HydrophobicContact CD2-CB 3.86Å |
| 308 | T | 96.2 | Very high | 90.9 | Very high | 91 Ų | 91 | 48.4 Ų | 48.4 | 56% | 0.558 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 118 | 172.9 | -56.4 | 0 | 0 | 0 | 0 | 109.2 | ||
| 309 | V | 95.5 | Very high | 92.1 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 104.9 | 174.4 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | K311 L316 A356 G357 L359 V379 | V309-K311 VanDerWaalsContact CG1-O 3.25Å; V309-K311 WeakPolarHBondContact CG1-O 3.29Å; V309-K311 PolarHBondContact O-N 2.88Å; V309-L316 HydrophobicContact CG2-CD1 3.79Å; V309-A356 CarbonylContact O-C 3.55Å; V309-A356 VanDerWaalsContact O-CA 3.29Å; V309-A356 WeakPolarHBondContact O-CA 3.44Å; V309-G357 PolarHBondContact N-O 3.23Å; V309-G357 PolarHBondContact O-N 2.81Å; V309-L359 HydrophobicContact CG2-CB 4.38Å; V309-V379 HydrophobicContact CG1-CG1 4.4Å |
| 310 | E | 93.4 | Very high | 93.2 | Very high | 170 Ų | 170 | 44.3 Ų | 44.3 | 79% | 0.794 | 24% | 0.235 | S | C | * | . | trans | -68.7 | -35.1 | -172.4 | -61.7 | -176.3 | 171.2 | 0 | 0 | 113.7 | ||||
| 311 | K | 93.8 | Very high | 94.3 | Very high | 157 Ų | 157 | 40.1 Ų | 40.1 | 68% | 0.683 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -135.7 | 151.3 | -176.2 | -64.7 | 179.1 | -174 | 172.6 | 0 | 110.1 | V309 A313 | V309-K311 VanDerWaalsContact CG1-O 3.25Å; V309-K311 WeakPolarHBondContact CG1-O 3.29Å; V309-K311 PolarHBondContact O-N 2.88Å; K311-A313 PolarHBondContact O-N 2.94Å |
| 312 | P | 93.8 | Very high | 94.8 | Very high | 105 Ų | 105 | 39.9 Ų | 39.9 | 68% | 0.682 | 22% | 0.217 | S | C | * | . | trans | -55.9 | 135.2 | 172.3 | -21.7 | 33.4 | 0 | 0 | 0 | 110.8 | M354 A356 | P312-M354 CarbonylContact C-O 3.54Å; P312-M354 WeakPolarHBondContact CA-O 3.09Å; P312-A356 HydrophobicContact CG-CB 4.43Å | ||
| 313 | A | 93.3 | Very high | 95 | Very high | 22 Ų | 22 | 40 Ų | 40 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 143.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110 | K311 S315 M354 V379 | K311-A313 PolarHBondContact O-N 2.94Å; A313-S315 PolarHBondContact O-N 3.35Å; A313-M354 HydrophobicContact CB-CB 4.45Å; A313-M354 PolarHBondContact N-O 3.36Å; A313-M354 PolarHBondContact O-N 2.94Å; A313-V379 HydrophobicContact CB-CB 4.07Å; A313-V379 HydrophobicContact CB-CG1 3.71Å |
| 314 | S | 94.1 | Very high | 94.9 | Very high | 97 Ų | 97 | 37.9 Ų | 37.9 | 68% | 0.678 | 21% | 0.213 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64.1 | -34.3 | 177.1 | 53 | 0 | 0 | 0 | 0 | 111.9 | T352 N353 | S314-T352 CarbonylContact O-C 3.49Å; S314-T352 WeakPolarHBondContact O-CA 3.22Å; S314-N353 PolarHBondContact O-N 3.25Å |
| 315 | S | 94.6 | Very high | 94.6 | Very high | 31 Ų | 31 | 38.3 Ų | 38.3 | 22% | 0.217 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 156.6 | 176.3 | 59 | 0 | 0 | 0 | 0 | 113.1 | A313 E350 L351 | A313-S315 PolarHBondContact O-N 3.35Å; S315-E350 WeakPolarHBondContact CB-OE1 3.43Å; S315-E350 PolarHBondContact OG-OE1 3.02Å; S315-L351 CarbonylContact C-O 3.56Å; S315-L351 VanDerWaalsContact CA-O 3.22Å; S315-L351 WeakPolarHBondContact CA-O 3.09Å |
| 316 | L | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 129.3 | 173.9 | -177.7 | 154 | 0 | 0 | 0 | 108.1 | L307 V309 I318 L351 M354 L359 A377 V379 | L307-L316 HydrophobicContact CD2-CD1 3.94Å; V309-L316 HydrophobicContact CG2-CD1 3.79Å; L316-I318 HydrophobicContact CD2-CD1 4.2Å; L316-I318 HydrophobicContact CD2-CG1 3.53Å; L316-L351 PolarHBondContact N-O 2.81Å; L316-L351 PolarHBondContact O-N 3.13Å; L316-M354 HydrophobicContact CB-CG 3.66Å; L316-M354 HydrophobicContact CD1-CE 4.49Å; L316-L359 HydrophobicContact CD1-CD2 3.81Å; L316-L359 HydrophobicContact CD2-CD2 3.59Å; L316-L359 HydrophobicContact CG-CD2 4.4Å; L316-A377 HydrophobicContact CD2-CB 4.47Å; L316-V379 HydrophobicContact CB-CG1 4.26Å; L316-V379 HydrophobicContact CD1-CG1 3.86Å; L316-V379 HydrophobicContact CG-CG1 4.23Å |
| 317 | L | 97.5 | Very high | 94.3 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 16% | 0.157 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 134.5 | 178.8 | -60.5 | -179.5 | 0 | 0 | 0 | 109.7 | T348 E350 W376 A377 S378 A381 | L317-T348 HydrophobicContact CB-CG2 4.22Å; L317-T348 HydrophobicContact CD2-CG2 4.3Å; L317-E350 HydrophobicContact CD2-CB 3.64Å; L317-E350 HydrophobicContact CD2-CG 3.77Å; L317-W376 HydrophobicContact CB-CH2 3.92Å; L317-W376 HydrophobicContact CB-CZ3 3.52Å; L317-W376 HydrophobicContact CD1-CH2 4.27Å; L317-W376 HydrophobicContact CD1-CZ3 4.39Å; L317-A377 CarbonylContact O-C 3.47Å; L317-A377 WeakPolarHBondContact O-CA 3.48Å; L317-S378 PolarHBondContact N-O 2.78Å; L317-S378 PolarHBondContact O-N 2.84Å; L317-A381 HydrophobicContact CD1-CB 3.81Å |
| 318 | I | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 121.3 | 171.1 | -56 | 173.8 | 0 | 0 | 0 | 107.9 | L316 L320 A331 W341 T348 V349 L351 L359 I361 L375 W376 A377 | L316-I318 HydrophobicContact CD2-CD1 4.2Å; L316-I318 HydrophobicContact CD2-CG1 3.53Å; I318-L320 HydrophobicContact CG2-CD1 3.73Å; I318-A331 HydrophobicContact CD1-CB 4.31Å; I318-W341 HydrophobicContact CD1-CH2 4.1Å; I318-W341 HydrophobicContact CD1-CZ2 4.49Å; I318-W341 HydrophobicContact CG2-CZ2 4.36Å; I318-T348 CarbonylContact O-C 3.52Å; I318-T348 VanDerWaalsContact O-CA 3.3Å; I318-T348 WeakPolarHBondContact O-CA 3.36Å; I318-V349 PolarHBondContact N-O 2.97Å; I318-V349 PolarHBondContact O-N 3.14Å; I318-L351 HydrophobicContact CD1-CD1 3.54Å; I318-L351 HydrophobicContact CD1-CG 4.19Å; I318-L351 HydrophobicContact CG1-CD1 4.4Å; I318-L359 HydrophobicContact CD1-CD2 4.13Å; I318-I361 HydrophobicContact CD1-CD1 3.83Å; I318-I361 HydrophobicContact CD1-CG1 4.01Å; I318-I361 HydrophobicContact CG1-CD1 4.07Å; I318-I361 HydrophobicContact CG2-CD1 3.93Å; I318-L375 HydrophobicContact CG2-CD1 3.8Å; I318-W376 CarbonylContact C-O 3.41Å; I318-W376 WeakPolarHBondContact CA-O 3.12Å; I318-A377 HydrophobicContact CG1-CB 4.3Å |
| 319 | T | 97.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124.8 | 176.6 | -57.1 | 0 | 0 | 0 | 0 | 110.1 | L346 K347 T348 L375 W376 Y384 Y386 | T319-L346 HydrophobicContact CG2-CD1 3.52Å; T319-L346 HydrophobicContact CG2-CG 4.31Å; T319-K347 WeakPolarHBondContact CA-O 3.41Å; T319-T348 WeakPolarHBondContact CG2-OG1 3.45Å; T319-T348 WeakPolarHBondContact OG1-CG2 3.42Å; T319-T348 PolarHBondContact OG1-OG1 3.1Å; T319-L375 WeakPolarHBondContact O-CA 3.25Å; T319-W376 PolarHBondContact N-O 2.5Å; T319-W376 PolarHBondContact O-N 2.86Å; T319-Y384 HydrophobicContact CG2-CE2 4.18Å; T319-Y384 WeakPolarHBondContact OG1-CE2 3.27Å; T319-Y386 HydrophobicContact CG2-CD2 3.98Å; T319-Y386 HydrophobicContact CG2-CE2 3.79Å |
| 320 | L | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134.1 | 169.8 | -74 | 104.7 | 0 | 0 | 0 | 110.1 | I318 L327 V329 W341 V343 L346 K347 V363 Y373 K374 L375 | I318-L320 HydrophobicContact CG2-CD1 3.73Å; L320-L327 HydrophobicContact CD2-CD1 4.42Å; L320-V329 HydrophobicContact CD1-CG1 3.99Å; L320-V329 HydrophobicContact CD1-CG2 4.1Å; L320-V329 HydrophobicContact CD2-CG1 4.46Å; L320-V329 HydrophobicContact CD2-CG2 3.7Å; L320-V329 HydrophobicContact CG-CG2 4.47Å; L320-W341 HydrophobicContact CD1-CZ2 4.21Å; L320-V343 HydrophobicContact CB-CG1 4.04Å; L320-V343 HydrophobicContact CB-CG2 4.23Å; L320-L346 WeakPolarHBondContact O-CA 3.45Å; L320-K347 PolarHBondContact N-O 3.15Å; L320-K347 PolarHBondContact O-N 3.36Å; L320-V363 HydrophobicContact CD2-CG1 4.27Å; L320-V363 HydrophobicContact CD2-CG2 3.84Å; L320-Y373 HydrophobicContact CD2-CD2 4.2Å; L320-Y373 HydrophobicContact CD2-CE2 4.48Å; L320-K374 WeakPolarHBondContact CA-O 3.32Å; L320-L375 HydrophobicContact CD1-CD1 4.03Å; L320-L375 HydrophobicContact CD2-CD1 4.26Å; L320-L375 HydrophobicContact CG-CD1 3.78Å |
| 321 | Y | 95.5 | Very high | 94.3 | Very high | 8 Ų | 8 | 31.2 Ų | 31.2 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 101.3 | 170.1 | -172.1 | -161 | 0 | 0 | 0 | 109.6 | C323 L346 Y373 K374 Y386 R443 L499 P500 | Y321-C323 PolarHBondContact O-N 3.4Å; Y321-L346 HydrophobicContact CD2-CB 4.05Å; Y321-L346 HydrophobicContact CD2-CD1 4.44Å; Y321-L346 HydrophobicContact CG-CB 4.46Å; Y321-L346 HydrophobicContact CG-CD1 4Å; Y321-Y373 VanDerWaalsContact O-CA 3.31Å; Y321-Y373 WeakPolarHBondContact O-CA 3.23Å; Y321-K374 HydrophobicContact CD1-CD 4.3Å; Y321-K374 PolarHBondContact N-O 3.45Å; Y321-K374 PolarHBondContact O-N 3.26Å; Y321-Y386 HydrophobicContact CD1-CE1 4.03Å; Y321-R443 HydrophobicContact CE2-CB 4.19Å; Y321-R443 PolarHBondContact OH-O 2.91Å; Y321-L499 HydrophobicContact CD1-CD2 4.26Å; Y321-L499 HydrophobicContact CE1-CD2 3.87Å; Y321-P500 VanDerWaalsContact OH-CD 3.26Å; Y321-P500 WeakPolarHBondContact OH-CD 3.29Å |
| 322 | P | 94.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 122.1 | 174.4 | 28.6 | -33.1 | 0 | 0 | 0 | 109.4 | G325 L327 V343 E345 | P322-G325 VanDerWaalsContact CB-O 3.29Å; P322-G325 WeakPolarHBondContact CB-O 3.18Å; P322-L327 HydrophobicContact CB-CD1 3.83Å; P322-L327 HydrophobicContact CB-CG 4.07Å; P322-V343 HydrophobicContact CG-CG1 3.91Å; P322-E345 WeakPolarHBondContact CD-O 3.29Å |
| 323 | C | 92.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.02 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -79.9 | -36.6 | 177.1 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | Y321 T372 N442 R443 C444 | Y321-C323 PolarHBondContact O-N 3.4Å; C323-T372 WeakPolarHBondContact CA-O 3.45Å; C323-T372 HydrophobicContact CB-CG2 4.23Å; C323-T372 WeakPolarHBondContact CB-O 2.93Å; C323-T372 PolarHBondContact N-O 3.27Å; C323-N442 VanDerWaalsContact CB-OD1 3.31Å; C323-N442 WeakPolarHBondContact CB-OD1 3.48Å; C323-N442 CarbonylContact O-C 3.57Å; C323-N442 WeakPolarHBondContact O-CA 3.39Å; C323-R443 PolarHBondContact O-N 2.99Å; C323-C444 WeakPolarHBondContact CA-SG 3.34Å; C323-C444 HydrophobicContact CB-CB 3.63Å; C323-C444 WeakPolarHBondContact CB-SG 3.33Å; C323-C444 WeakPolarHBondContact SG-CB 3.44Å; C323-C444 CovalentContact SG-SG 2.03Å; C323-C444 PolarHBondContact SG-SG 2.85Å |
| 324 | T | 88.3 | Confident | 94 | Very high | 33 Ų | 33 | 24.8 Ų | 24.8 | 20% | 0.202 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -131.9 | 118.6 | 179.3 | 52.1 | 0 | 0 | 0 | 0 | 110.5 | E370 K371 T372 N442 | T324-E370 PolarHBondContact OG1-O 3.24Å; T324-K371 WeakPolarHBondContact O-CD 3.35Å; T324-K371 WeakPolarHBondContact OG1-CA 3.48Å; T324-T372 PolarHBondContact N-O 2.77Å; T324-T372 PolarHBondContact OG1-N 3.4Å; T324-N442 HydrophobicContact CG2-CB 4.07Å |
| 325 | G | 87 | Confident | 93.4 | Very high | 30 Ų | 30 | 22.9 Ų | 22.9 | 31% | 0.309 | 14% | 0.138 | S | C | . | . | S | Bend | trans | 59.3 | -160.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | P322 | P322-G325 VanDerWaalsContact CB-O 3.29Å; P322-G325 WeakPolarHBondContact CB-O 3.18Å |
| 326 | S | 91.7 | Very high | 93 | Very high | 22 Ų | 22 | 28.4 Ų | 28.4 | 15% | 0.154 | 16% | 0.16 | C | C | . | . | trans | -100.3 | 154.1 | -173.7 | 62.9 | 0 | 0 | 0 | 0 | 113.3 | V343 N366 | S326-V343 WeakPolarHBondContact CA-O 3.29Å; S326-N366 WeakPolarHBondContact O-CB 3.02Å; S326-N366 PolarHBondContact OG-ND2 2.81Å | ||
| 327 | L | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 152.1 | 179.3 | -59.1 | 171 | 0 | 0 | 0 | 111 | L295 L320 P322 V329 Q342 V343 V363 K371 Y373 | L295-L327 HydrophobicContact CD1-CD2 3.95Å; L320-L327 HydrophobicContact CD2-CD1 4.42Å; P322-L327 HydrophobicContact CB-CD1 3.83Å; P322-L327 HydrophobicContact CB-CG 4.07Å; L327-V329 HydrophobicContact CB-CG2 4.45Å; L327-Q342 WeakPolarHBondContact O-CA 2.92Å; L327-V343 HydrophobicContact CB-CB 4.39Å; L327-V343 PolarHBondContact N-O 3.06Å; L327-V343 PolarHBondContact O-N 3.22Å; L327-V363 HydrophobicContact CB-CG1 4.29Å; L327-V363 HydrophobicContact CD1-CG1 4.03Å; L327-V363 HydrophobicContact CD2-CG1 4.18Å; L327-V363 HydrophobicContact CG-CG1 4.41Å; L327-K371 HydrophobicContact CD2-CB 3.82Å; L327-K371 HydrophobicContact CD2-CD 4.39Å; L327-K371 HydrophobicContact CD2-CG 3.91Å; L327-Y373 HydrophobicContact CD1-CD1 4.15Å; L327-Y373 HydrophobicContact CD1-CD2 4.42Å; L327-Y373 HydrophobicContact CD1-CG 3.82Å |
| 328 | R | 94 | Very high | 92.3 | Very high | 107 Ų | 107 | 35.6 Ų | 35.6 | 40% | 0.404 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.1 | 168.2 | -173 | -170.9 | -49.5 | 139.4 | 9.8 | 109.3 | F364 N366 | R328-F364 HydrophobicContact CB-CB 4.23Å; R328-F364 PolarHBondContact N-O 2.82Å; R328-F364 VanDerWaalsContact N-O 3.13Å; R328-F364 PolarHBondContact O-N 2.84Å; R328-N366 PolarHBondContact NH2-OD1 3.14Å |
| 329 | V | 96.1 | Very high | 92 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 144.1 | -171.9 | -171.1 | 0 | 0 | 0 | 0 | 110 | L320 L327 H340 W341 V343 I361 R362 V363 | L320-V329 HydrophobicContact CD1-CG1 3.99Å; L320-V329 HydrophobicContact CD1-CG2 4.1Å; L320-V329 HydrophobicContact CD2-CG1 4.46Å; L320-V329 HydrophobicContact CD2-CG2 3.7Å; L320-V329 HydrophobicContact CG-CG2 4.47Å; L327-V329 HydrophobicContact CB-CG2 4.45Å; V329-H340 CarbonylContact O-C 3.58Å; V329-H340 WeakPolarHBondContact O-CA 3.03Å; V329-H340 WeakPolarHBondContact O-CB 3.31Å; V329-W341 HydrophobicContact CB-CD2 4.23Å; V329-W341 HydrophobicContact CB-CG 4.49Å; V329-W341 HydrophobicContact CB-CZ2 4.07Å; V329-W341 HydrophobicContact CG1-CH2 4.1Å; V329-W341 HydrophobicContact CG1-CZ2 3.5Å; V329-W341 VanDerWaalsContact CG1-CZ2 3.5Å; V329-W341 PolarHBondContact N-O 2.93Å; V329-W341 PolarHBondContact O-N 2.89Å; V329-V343 HydrophobicContact CG2-CG2 3.75Å; V329-I361 HydrophobicContact CG1-CG2 3.81Å; V329-R362 CarbonylContact C-O 3.5Å; V329-R362 WeakPolarHBondContact CA-O 3.07Å; V329-V363 HydrophobicContact CG1-CG2 4.35Å; V329-V363 HydrophobicContact CG2-CG1 4.31Å; V329-V363 HydrophobicContact CG2-CG2 4.46Å |
| 330 | S | 95 | Very high | 91.9 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 144 | 172.5 | 49 | 0 | 0 | 0 | 0 | 110.2 | R339 I361 R362 | S330-R339 CarbonylContact C-O 3.56Å; S330-R339 WeakPolarHBondContact CA-O 3.42Å; S330-I361 CarbonylContact O-C 3.58Å; S330-R362 PolarHBondContact N-O 2.88Å; S330-R362 PolarHBondContact O-N 2.88Å |
| 331 | A | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | I318 L338 R339 W341 L351 L359 R360 | I318-A331 HydrophobicContact CD1-CB 4.31Å; A331-L338 WeakPolarHBondContact O-CB 3.24Å; A331-L338 PolarHBondContact O-N 3.41Å; A331-R339 PolarHBondContact N-O 2.78Å; A331-R339 PolarHBondContact O-N 3.43Å; A331-W341 HydrophobicContact CB-CH2 3.73Å; A331-W341 HydrophobicContact CB-CZ3 3.91Å; A331-L351 HydrophobicContact CB-CD1 4.16Å; A331-L359 HydrophobicContact CB-CD1 4.24Å; A331-R360 WeakPolarHBondContact CA-O 3.04Å |
| 332 | Y | 93.3 | Very high | 91.8 | Very high | 56 Ų | 56 | 52.9 Ų | 52.9 | 22% | 0.22 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 132 | 177.9 | -56.1 | -102.2 | 0 | 0 | 0 | 109.4 | Q336 F337 L359 R360 R362 | Y332-Q336 CarbonylContact C-O 3.54Å; Y332-Q336 WeakPolarHBondContact CA-O 3.37Å; Y332-Q336 WeakPolarHBondContact CB-O 3.18Å; Y332-F337 HydrophobicContact CD1-CB 3.93Å; Y332-F337 HydrophobicContact CD1-CD2 4.27Å; Y332-F337 HydrophobicContact CE1-CB 3.85Å; Y332-F337 AromaticContact CE1-CD2 3.75Å; Y332-F337 HydrophobicContact CE1-CD2 3.75Å; Y332-F337 HydrophobicContact CE1-CG 4.29Å; Y332-F337 AromaticContact CZ-CD2 3.95Å; Y332-L359 CarbonylContact O-C 3.58Å; Y332-L359 WeakPolarHBondContact O-CA 3.26Å; Y332-R360 PolarHBondContact N-O 2.81Å; Y332-R360 PolarHBondContact O-N 2.82Å; Y332-R362 HydrophobicContact CE2-CB 4.48Å |
| 333 | S | 92.8 | Very high | 91.8 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 125.5 | 171.1 | 176.2 | 0 | 0 | 0 | 0 | 109.2 | G335 Q336 | S333-G335 PolarHBondContact O-N 3.37Å; S333-Q336 PolarHBondContact N-O 3.49Å; S333-Q336 WeakPolarHBondContact O-CB 3.17Å; S333-Q336 PolarHBondContact O-N 3.41Å |
| 334 | N | 88.7 | Confident | 91.7 | Very high | 83 Ų | 83 | 59 Ų | 59 | 44% | 0.444 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 37.6 | 178.7 | -62.1 | -38.2 | 0 | 0 | 0 | 113 | Q336 T355 A356 G357 E358 | N334-Q336 VanDerWaalsContact C-N 3.27Å; N334-Q336 PolarHBondContact O-N 3.05Å; N334-T355 PolarHBondContact ND2-OG1 3.36Å; N334-A356 PolarHBondContact ND2-O 3.43Å; N334-G357 WeakPolarHBondContact OD1-CA 3.34Å; N334-E358 PolarHBondContact N-O 3.05Å; N334-E358 PolarHBondContact OD1-N 2.97Å |
| 335 | G | 81.4 | Confident | 91.8 | Very high | 57 Ų | 57 | 63.3 Ų | 63.3 | 59% | 0.588 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | -13.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S333 | S333-G335 PolarHBondContact O-N 3.37Š|
| 336 | Q | 86.9 | Confident | 92.1 | Very high | 146 Ų | 146 | 64 Ų | 64 | 68% | 0.682 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 133.3 | 175.9 | -64 | -171.1 | -6 | 0 | 0 | 111.2 | Y332 S333 N334 L338 | Y332-Q336 CarbonylContact C-O 3.54Å; Y332-Q336 WeakPolarHBondContact CA-O 3.37Å; Y332-Q336 WeakPolarHBondContact CB-O 3.18Å; S333-Q336 PolarHBondContact N-O 3.49Å; S333-Q336 WeakPolarHBondContact O-CB 3.17Å; S333-Q336 PolarHBondContact O-N 3.41Å; N334-Q336 VanDerWaalsContact C-N 3.27Å; N334-Q336 PolarHBondContact O-N 3.05Å; Q336-L338 PolarHBondContact O-N 2.68Å |
| 337 | F | 88.8 | Confident | 92.2 | Very high | 111 Ų | 111 | 67.1 Ų | 67.1 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 128.5 | 174.1 | 174 | -101.9 | 0 | 0 | 0 | 110.5 | Y332 R339 H340 | Y332-F337 HydrophobicContact CD1-CB 3.93Å; Y332-F337 HydrophobicContact CD1-CD2 4.27Å; Y332-F337 HydrophobicContact CE1-CB 3.85Å; Y332-F337 AromaticContact CE1-CD2 3.75Å; Y332-F337 HydrophobicContact CE1-CD2 3.75Å; Y332-F337 HydrophobicContact CE1-CG 4.29Å; Y332-F337 AromaticContact CZ-CD2 3.95Å; F337-R339 VanDerWaalsContact CE2-C 3.42Å; F337-R339 WeakPolarHBondContact CE2-O 3.32Å; F337-H340 HydrophobicContact CE2-CB 4.01Å; F337-H340 HydrophobicContact CZ-CB 3.96Å; F337-H340 AromaticContact CZ-CD2 3.78Å |
| 338 | L | 91.5 | Very high | 92.3 | Very high | 70 Ų | 70 | 69.8 Ų | 69.8 | 37% | 0.366 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -57.3 | 175.5 | -62.4 | -176.6 | 0 | 0 | 0 | 111.1 | A331 Q336 L351 M354 L359 | A331-L338 WeakPolarHBondContact O-CB 3.24Å; A331-L338 PolarHBondContact O-N 3.41Å; Q336-L338 PolarHBondContact O-N 2.68Å; L338-L351 HydrophobicContact CD1-CD1 3.8Å; L338-M354 HydrophobicContact CD1-CE 4.16Å; L338-M354 HydrophobicContact CD1-SD 4.21Å; L338-L359 HydrophobicContact CD1-CD1 4.21Å |
| 339 | R | 91 | Very high | 92.4 | Very high | 129 Ų | 129 | 65 Ų | 65 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 154.1 | -171.6 | -165.1 | 178.6 | -179.1 | 174.7 | 2.5 | 111.5 | S330 A331 F337 W341 | S330-R339 CarbonylContact C-O 3.56Å; S330-R339 WeakPolarHBondContact CA-O 3.42Å; A331-R339 PolarHBondContact N-O 2.78Å; A331-R339 PolarHBondContact O-N 3.43Å; F337-R339 VanDerWaalsContact CE2-C 3.42Å; F337-R339 WeakPolarHBondContact CE2-O 3.32Å; R339-W341 HydrophobicContact CB-CE3 4.09Å; R339-W341 HydrophobicContact CB-CZ3 3.9Å; R339-W341 HydrophobicContact CG-CE3 3.93Å; R339-W341 HydrophobicContact CG-CZ3 4.24Å; R339-W341 WeakPolarHBondContact O-CZ3 3.34Å |
| 340 | H | 94.3 | Very high | 92.4 | Very high | 128 Ų | 128 | 69.9 Ų | 69.9 | 59% | 0.593 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 154.3 | 166.4 | 77.6 | 79.7 | 0 | 0 | 0 | 110.6 | V329 F337 | V329-H340 CarbonylContact O-C 3.58Å; V329-H340 WeakPolarHBondContact O-CA 3.03Å; V329-H340 WeakPolarHBondContact O-CB 3.31Å; F337-H340 HydrophobicContact CE2-CB 4.01Å; F337-H340 HydrophobicContact CZ-CB 3.96Å; F337-H340 AromaticContact CZ-CD2 3.78Å |
| 341 | W | 95.9 | Very high | 92.4 | Very high | 13 Ų | 13 | 70.1 Ų | 70.1 | 5% | 0.049 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 161.6 | 178.1 | 57.7 | 97.2 | 0 | 0 | 0 | 111.5 | I318 L320 V329 A331 R339 V349 | I318-W341 HydrophobicContact CD1-CH2 4.1Å; I318-W341 HydrophobicContact CD1-CZ2 4.49Å; I318-W341 HydrophobicContact CG2-CZ2 4.36Å; L320-W341 HydrophobicContact CD1-CZ2 4.21Å; V329-W341 HydrophobicContact CB-CD2 4.23Å; V329-W341 HydrophobicContact CB-CG 4.49Å; V329-W341 HydrophobicContact CB-CZ2 4.07Å; V329-W341 HydrophobicContact CG1-CH2 4.1Å; V329-W341 HydrophobicContact CG1-CZ2 3.5Å; V329-W341 VanDerWaalsContact CG1-CZ2 3.5Å; V329-W341 PolarHBondContact N-O 2.93Å; V329-W341 PolarHBondContact O-N 2.89Å; A331-W341 HydrophobicContact CB-CH2 3.73Å; A331-W341 HydrophobicContact CB-CZ3 3.91Å; R339-W341 HydrophobicContact CB-CE3 4.09Å; R339-W341 HydrophobicContact CB-CZ3 3.9Å; R339-W341 HydrophobicContact CG-CE3 3.93Å; R339-W341 HydrophobicContact CG-CZ3 4.24Å; R339-W341 WeakPolarHBondContact O-CZ3 3.34Å; W341-V349 HydrophobicContact CD2-CG2 4.03Å; W341-V349 HydrophobicContact CG-CG2 4.2Å; W341-V349 HydrophobicContact CZ2-CB 4.36Å; W341-V349 HydrophobicContact CZ2-CG2 4.29Å |
| 342 | Q | 94.4 | Very high | 92.4 | Very high | 102 Ų | 102 | 74.5 Ų | 74.5 | 48% | 0.477 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 148.6 | 168.5 | -74.2 | 176.3 | -34.8 | 0 | 0 | 110.4 | L327 K347 | L327-Q342 WeakPolarHBondContact O-CA 2.92Å; Q342-K347 WeakPolarHBondContact O-CD 3.25Å; Q342-K347 PolarHBondContact O-NZ 2.88Å |
| 343 | V | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 112.2 | -177.6 | -170.2 | 0 | 0 | 0 | 0 | 108.6 | L320 P322 S326 L327 V329 E345 K347 | L320-V343 HydrophobicContact CB-CG1 4.04Å; L320-V343 HydrophobicContact CB-CG2 4.23Å; P322-V343 HydrophobicContact CG-CG1 3.91Å; S326-V343 WeakPolarHBondContact CA-O 3.29Å; L327-V343 HydrophobicContact CB-CB 4.39Å; L327-V343 PolarHBondContact N-O 3.06Å; L327-V343 PolarHBondContact O-N 3.22Å; V329-V343 HydrophobicContact CG2-CG2 3.75Å; V343-E345 WeakPolarHBondContact CG1-O 3.34Å; V343-K347 HydrophobicContact CG1-CB 3.88Å; V343-K347 HydrophobicContact CG2-CB 4.49Å; V343-K347 HydrophobicContact CG2-CD 4.36Å |
| 344 | E | 90.9 | Very high | 92.4 | Very high | 132 Ų | 132 | 78.2 Ų | 78.2 | 62% | 0.617 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -108.1 | -23 | 176 | -59.9 | -177.7 | 170.5 | 0 | 0 | 111.8 | ||
| 345 | E | 89.6 | Confident | 92.6 | Very high | 125 Ų | 125 | 78 Ų | 78 | 58% | 0.584 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -141.5 | -179.5 | 178.1 | 62.2 | -175.8 | -174.7 | 0 | 0 | 109.8 | P322 V343 K347 | P322-E345 WeakPolarHBondContact CD-O 3.29Å; V343-E345 WeakPolarHBondContact CG1-O 3.34Å; E345-K347 PolarHBondContact O-N 3.05Å |
| 346 | L | 93.4 | Very high | 93.2 | Very high | 45 Ų | 45 | 77.3 Ų | 77.3 | 24% | 0.236 | 38% | 0.384 | C | S | . | . | trans | -52.1 | 117.2 | 176.8 | -179.4 | 76.9 | 0 | 0 | 0 | 110 | T319 L320 Y321 Y386 L499 | T319-L346 HydrophobicContact CG2-CD1 3.52Å; T319-L346 HydrophobicContact CG2-CG 4.31Å; L320-L346 WeakPolarHBondContact O-CA 3.45Å; Y321-L346 HydrophobicContact CD2-CB 4.05Å; Y321-L346 HydrophobicContact CD2-CD1 4.44Å; Y321-L346 HydrophobicContact CG-CB 4.46Å; Y321-L346 HydrophobicContact CG-CD1 4Å; L346-Y386 HydrophobicContact CD1-CD1 4.42Å; L346-Y386 HydrophobicContact CD1-CD2 3.8Å; L346-Y386 HydrophobicContact CD1-CE1 4.27Å; L346-Y386 HydrophobicContact CD1-CE2 3.64Å; L346-Y386 HydrophobicContact CD1-CG 4.21Å; L346-Y386 HydrophobicContact CD2-CD2 4.47Å; L346-Y386 HydrophobicContact CD2-CG 4.27Å; L346-L499 HydrophobicContact CD2-CD1 3.49Å; L346-L499 VanDerWaalsContact CD2-CD1 3.49Å; L346-L499 HydrophobicContact CD2-CD2 3.89Å; L346-L499 HydrophobicContact CD2-CG 4.34Å | ||
| 347 | K | 95.2 | Very high | 93.5 | Very high | 86 Ų | 86 | 71.5 Ų | 71.5 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 126.6 | -177.5 | -170.5 | 165.9 | -179.5 | 168.4 | 0 | 110.5 | T319 L320 Q342 V343 E345 V349 | T319-K347 WeakPolarHBondContact CA-O 3.41Å; L320-K347 PolarHBondContact N-O 3.15Å; L320-K347 PolarHBondContact O-N 3.36Å; Q342-K347 WeakPolarHBondContact O-CD 3.25Å; Q342-K347 PolarHBondContact O-NZ 2.88Å; V343-K347 HydrophobicContact CG1-CB 3.88Å; V343-K347 HydrophobicContact CG2-CB 4.49Å; V343-K347 HydrophobicContact CG2-CD 4.36Å; E345-K347 PolarHBondContact O-N 3.05Å; K347-V349 HydrophobicContact CG-CG2 4.39Å |
| 348 | T | 96.1 | Very high | 93.8 | Very high | 57 Ų | 57 | 69.8 Ų | 69.8 | 35% | 0.35 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.9 | 172.7 | -58.8 | 0 | 0 | 0 | 0 | 109.2 | L317 I318 T319 | L317-T348 HydrophobicContact CB-CG2 4.22Å; L317-T348 HydrophobicContact CD2-CG2 4.3Å; I318-T348 CarbonylContact O-C 3.52Å; I318-T348 VanDerWaalsContact O-CA 3.3Å; I318-T348 WeakPolarHBondContact O-CA 3.36Å; T319-T348 WeakPolarHBondContact CG2-OG1 3.45Å; T319-T348 WeakPolarHBondContact OG1-CG2 3.42Å; T319-T348 PolarHBondContact OG1-OG1 3.1Å |
| 349 | V | 96.4 | Very high | 94 | Very high | 6 Ų | 6 | 66.5 Ų | 66.5 | 4% | 0.036 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 129.6 | 176 | 175.9 | 0 | 0 | 0 | 0 | 108 | I318 W341 K347 L351 | I318-V349 PolarHBondContact N-O 2.97Å; I318-V349 PolarHBondContact O-N 3.14Å; W341-V349 HydrophobicContact CD2-CG2 4.03Å; W341-V349 HydrophobicContact CG-CG2 4.2Å; W341-V349 HydrophobicContact CZ2-CB 4.36Å; W341-V349 HydrophobicContact CZ2-CG2 4.29Å; K347-V349 HydrophobicContact CG-CG2 4.39Å; V349-L351 HydrophobicContact CG1-CD2 4.3Å |
| 350 | E | 95.9 | Very high | 94.2 | Very high | 104 Ų | 104 | 64.7 Ų | 64.7 | 49% | 0.486 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 129.9 | 171.1 | -173.8 | 170.3 | -160.9 | 0 | 0 | 110 | S315 L317 T352 | S315-E350 WeakPolarHBondContact CB-OE1 3.43Å; S315-E350 PolarHBondContact OG-OE1 3.02Å; L317-E350 HydrophobicContact CD2-CB 3.64Å; L317-E350 HydrophobicContact CD2-CG 3.77Å; E350-T352 HydrophobicContact CG-CG2 4.29Å |
| 351 | L | 95.1 | Very high | 94.3 | Very high | 12 Ų | 12 | 58.6 Ų | 58.6 | 6% | 0.063 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127.5 | 167.1 | -57.7 | -179.7 | 0 | 0 | 0 | 107.6 | S315 L316 I318 A331 L338 V349 M354 L359 | S315-L351 CarbonylContact C-O 3.56Å; S315-L351 VanDerWaalsContact CA-O 3.22Å; S315-L351 WeakPolarHBondContact CA-O 3.09Å; L316-L351 PolarHBondContact N-O 2.81Å; L316-L351 PolarHBondContact O-N 3.13Å; I318-L351 HydrophobicContact CD1-CD1 3.54Å; I318-L351 HydrophobicContact CD1-CG 4.19Å; I318-L351 HydrophobicContact CG1-CD1 4.4Å; A331-L351 HydrophobicContact CB-CD1 4.16Å; L338-L351 HydrophobicContact CD1-CD1 3.8Å; V349-L351 HydrophobicContact CG1-CD2 4.3Å; L351-M354 HydrophobicContact CB-CG 4.42Å; L351-M354 HydrophobicContact CB-SD 3.6Å; L351-M354 HydrophobicContact CD1-SD 4.23Å; L351-L359 HydrophobicContact CD1-CD1 4.03Å; L351-L359 HydrophobicContact CD1-CD2 4.46Å |
| 352 | T | 94.4 | Very high | 94.2 | Very high | 92 Ų | 92 | 61.3 Ų | 61.3 | 56% | 0.564 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 158.4 | -177.8 | 55.7 | 0 | 0 | 0 | 0 | 111.3 | S314 E350 M354 | S314-T352 CarbonylContact O-C 3.49Å; S314-T352 WeakPolarHBondContact O-CA 3.22Å; E350-T352 HydrophobicContact CG-CG2 4.29Å; T352-M354 PolarHBondContact O-N 3.13Å |
| 353 | N | 92.3 | Very high | 94.3 | Very high | 137 Ų | 137 | 56.5 Ų | 56.5 | 73% | 0.733 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53.6 | 52.7 | 176.5 | -60.3 | -34 | 0 | 0 | 0 | 113.3 | S314 T355 | S314-N353 PolarHBondContact O-N 3.25Å; N353-T355 PolarHBondContact O-N 3.36Å |
| 354 | M | 93 | Very high | 94.1 | Very high | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 125.9 | -179.9 | -65.8 | -55.4 | -62.6 | 0 | 0 | 110.8 | P312 A313 L316 L338 L351 T352 L359 | P312-M354 CarbonylContact C-O 3.54Å; P312-M354 WeakPolarHBondContact CA-O 3.09Å; A313-M354 HydrophobicContact CB-CB 4.45Å; A313-M354 PolarHBondContact N-O 3.36Å; A313-M354 PolarHBondContact O-N 2.94Å; L316-M354 HydrophobicContact CB-CG 3.66Å; L316-M354 HydrophobicContact CD1-CE 4.49Å; L338-M354 HydrophobicContact CD1-CE 4.16Å; L338-M354 HydrophobicContact CD1-SD 4.21Å; L351-M354 HydrophobicContact CB-CG 4.42Å; L351-M354 HydrophobicContact CB-SD 3.6Å; L351-M354 HydrophobicContact CD1-SD 4.23Å; T352-M354 PolarHBondContact O-N 3.13Å; M354-L359 HydrophobicContact CE-CD1 4.13Å |
| 355 | T | 93 | Very high | 94.1 | Very high | 77 Ų | 77 | 51.8 Ų | 51.8 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 154.7 | 168.9 | 50.1 | 0 | 0 | 0 | 0 | 110.6 | N334 N353 | N334-T355 PolarHBondContact ND2-OG1 3.36Å; N353-T355 PolarHBondContact O-N 3.36Å |
| 356 | A | 94.4 | Very high | 93.9 | Very high | 44 Ų | 44 | 47.8 Ų | 47.8 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -63.2 | 146.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V309 P312 N334 | V309-A356 CarbonylContact O-C 3.55Å; V309-A356 VanDerWaalsContact O-CA 3.29Å; V309-A356 WeakPolarHBondContact O-CA 3.44Å; P312-A356 HydrophobicContact CG-CB 4.43Å; N334-A356 PolarHBondContact ND2-O 3.43Å |
| 357 | G | 94.6 | Very high | 93.4 | Very high | 23 Ų | 23 | 48 Ų | 48 | 24% | 0.237 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 131.8 | -152.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V309 N334 | V309-G357 PolarHBondContact N-O 3.23Å; V309-G357 PolarHBondContact O-N 2.81Å; N334-G357 WeakPolarHBondContact OD1-CA 3.34Å |
| 358 | E | 94.4 | Very high | 92.6 | Very high | 76 Ų | 76 | 47.5 Ų | 47.5 | 36% | 0.355 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 122.8 | -172.7 | -66.7 | -174.1 | 150.9 | 0 | 0 | 112.2 | V306 N334 R360 | V306-E358 HydrophobicContact CG1-CB 4.45Å; V306-E358 HydrophobicContact CG1-CG 4.43Å; N334-E358 PolarHBondContact N-O 3.05Å; N334-E358 PolarHBondContact OD1-N 2.97Å; E358-R360 IonicContact OE2-CZ 2.89Å; E358-R360 IonicContact OE2-NH1 2.76Å; E358-R360 PolarHBondContact OE2-NH1 2.83Å; E358-R360 IonicContact OE2-NH2 2.72Å; E358-R360 PolarHBondContact OE2-NH2 2.79Å |
| 359 | L | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 119 | 165.8 | 175.9 | 66.9 | 0 | 0 | 0 | 109.5 | V306 L307 V309 L316 I318 A331 Y332 L338 L351 M354 I361 | V306-L359 WeakPolarHBondContact CA-O 3.25Å; L307-L359 HydrophobicContact CB-CB 4.36Å; L307-L359 HydrophobicContact CD2-CD2 4.32Å; L307-L359 PolarHBondContact N-O 2.99Å; L307-L359 PolarHBondContact O-N 3.14Å; V309-L359 HydrophobicContact CG2-CB 4.38Å; L316-L359 HydrophobicContact CD1-CD2 3.81Å; L316-L359 HydrophobicContact CD2-CD2 3.59Å; L316-L359 HydrophobicContact CG-CD2 4.4Å; I318-L359 HydrophobicContact CD1-CD2 4.13Å; A331-L359 HydrophobicContact CB-CD1 4.24Å; Y332-L359 CarbonylContact O-C 3.58Å; Y332-L359 WeakPolarHBondContact O-CA 3.26Å; L338-L359 HydrophobicContact CD1-CD1 4.21Å; L351-L359 HydrophobicContact CD1-CD1 4.03Å; L351-L359 HydrophobicContact CD1-CD2 4.46Å; M354-L359 HydrophobicContact CE-CD1 4.13Å; L359-I361 HydrophobicContact CD2-CD1 4.24Å; L359-I361 HydrophobicContact CD2-CG1 4.25Å; L359-I361 HydrophobicContact CG-CG1 4.1Å |
| 360 | R | 95 | Very high | 91.4 | Very high | 92 Ų | 92 | 51 Ų | 51 | 35% | 0.347 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 115 | 174.2 | -68.2 | -178.8 | 167.6 | 77.5 | 5.8 | 110 | I304 H305 V306 A331 Y332 E358 | I304-R360 HydrophobicContact CG2-CB 4.04Å; I304-R360 HydrophobicContact CG2-CG 4.23Å; H305-R360 CarbonylContact O-C 3.57Å; H305-R360 WeakPolarHBondContact O-CA 3.33Å; V306-R360 HydrophobicContact CG2-CG 4.34Å; A331-R360 WeakPolarHBondContact CA-O 3.04Å; Y332-R360 PolarHBondContact N-O 2.81Å; Y332-R360 PolarHBondContact O-N 2.82Å; E358-R360 IonicContact OE2-CZ 2.89Å; E358-R360 IonicContact OE2-NH1 2.76Å; E358-R360 PolarHBondContact OE2-NH1 2.83Å; E358-R360 IonicContact OE2-NH2 2.72Å; E358-R360 PolarHBondContact OE2-NH2 2.79Å |
| 361 | I | 96.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 106.2 | 176.2 | -52.6 | 169.8 | 0 | 0 | 0 | 108 | I285 I304 H305 I318 V329 S330 L359 V363 L375 A377 | I285-I361 HydrophobicContact CD1-CD1 4.22Å; I304-I361 WeakPolarHBondContact CA-O 3.29Å; H305-I361 HydrophobicContact CB-CB 4.32Å; H305-I361 PolarHBondContact N-O 3.4Å; H305-I361 PolarHBondContact O-N 3.3Å; I318-I361 HydrophobicContact CD1-CD1 3.83Å; I318-I361 HydrophobicContact CD1-CG1 4.01Å; I318-I361 HydrophobicContact CG1-CD1 4.07Å; I318-I361 HydrophobicContact CG2-CD1 3.93Å; V329-I361 HydrophobicContact CG1-CG2 3.81Å; S330-I361 CarbonylContact O-C 3.58Å; L359-I361 HydrophobicContact CD2-CD1 4.24Å; L359-I361 HydrophobicContact CD2-CG1 4.25Å; L359-I361 HydrophobicContact CG-CG1 4.1Å; I361-V363 HydrophobicContact CG2-CG2 4.31Å; I361-L375 HydrophobicContact CD1-CD1 4.25Å; I361-L375 HydrophobicContact CD1-CD2 4.41Å; I361-L375 HydrophobicContact CG2-CD1 4.42Å; I361-A377 HydrophobicContact CD1-CB 4.06Å |
| 362 | R | 93.8 | Very high | 91 | Very high | 70 Ų | 70 | 46.9 Ų | 46.9 | 26% | 0.264 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 120.4 | 179.9 | -173.4 | -173.5 | -66.6 | -177.2 | -6 | 110 | R303 I304 V329 S330 Y332 F364 | R303-R362 WeakPolarHBondContact O-CA 3.33Å; I304-R362 HydrophobicContact CG1-CB 4.1Å; I304-R362 HydrophobicContact CG1-CG 3.88Å; V329-R362 CarbonylContact C-O 3.5Å; V329-R362 WeakPolarHBondContact CA-O 3.07Å; S330-R362 PolarHBondContact N-O 2.88Å; S330-R362 PolarHBondContact O-N 2.88Å; Y332-R362 HydrophobicContact CE2-CB 4.48Å; R362-F364 HydrophobicContact CB-CE2 4.32Å; R362-F364 HydrophobicContact CG-CD2 4.11Å; R362-F364 HydrophobicContact CG-CE2 3.53Å; R362-F364 HydrophobicContact CG-CZ 3.8Å |
| 363 | V | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 122.2 | -179.5 | -172.3 | 0 | 0 | 0 | 0 | 109 | L295 A302 R303 L320 L327 V329 I361 Y373 | L295-V363 HydrophobicContact CD1-CG1 4.18Å; A302-V363 CarbonylContact C-O 3.54Å; A302-V363 WeakPolarHBondContact CA-O 3.21Å; A302-V363 WeakPolarHBondContact CB-O 3.49Å; R303-V363 PolarHBondContact N-O 3.03Å; R303-V363 PolarHBondContact O-N 3.35Å; L320-V363 HydrophobicContact CD2-CG1 4.27Å; L320-V363 HydrophobicContact CD2-CG2 3.84Å; L327-V363 HydrophobicContact CB-CG1 4.29Å; L327-V363 HydrophobicContact CD1-CG1 4.03Å; L327-V363 HydrophobicContact CD2-CG1 4.18Å; L327-V363 HydrophobicContact CG-CG1 4.41Å; V329-V363 HydrophobicContact CG1-CG2 4.35Å; V329-V363 HydrophobicContact CG2-CG1 4.31Å; V329-V363 HydrophobicContact CG2-CG2 4.46Å; I361-V363 HydrophobicContact CG2-CG2 4.31Å; V363-Y373 HydrophobicContact CB-CE2 4.25Å; V363-Y373 HydrophobicContact CG1-CD1 4.46Å; V363-Y373 HydrophobicContact CG1-CE1 4.04Å; V363-Y373 HydrophobicContact CG1-CE2 4.06Å; V363-Y373 HydrophobicContact CG2-CE2 3.93Å |
| 364 | F | 91.5 | Very high | 91.3 | Very high | 33 Ų | 33 | 37.2 Ų | 37.2 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 147.5 | 179.1 | -62.8 | -97.6 | 0 | 0 | 0 | 111.2 | Y280 A302 R328 R362 | Y280-F364 HydrophobicContact CE1-CE1 4.37Å; Y280-F364 HydrophobicContact CE2-CE1 4.26Å; Y280-F364 AromaticContact CZ-CE1 3.83Å; A302-F364 HydrophobicContact CB-CB 4.24Å; A302-F364 HydrophobicContact CB-CD1 3.37Å; A302-F364 HydrophobicContact CB-CE1 3.85Å; A302-F364 HydrophobicContact CB-CG 3.8Å; R328-F364 HydrophobicContact CB-CB 4.23Å; R328-F364 PolarHBondContact N-O 2.82Å; R328-F364 VanDerWaalsContact N-O 3.13Å; R328-F364 PolarHBondContact O-N 2.84Å; R362-F364 HydrophobicContact CB-CE2 4.32Å; R362-F364 HydrophobicContact CG-CD2 4.11Å; R362-F364 HydrophobicContact CG-CE2 3.53Å; R362-F364 HydrophobicContact CG-CZ 3.8Å |
| 365 | N | 90 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 135.3 | 164.9 | -165.2 | -11.2 | 0 | 0 | 0 | 109 | L295 G296 S298 S301 D367 T369 K371 | L295-N365 HydrophobicContact CB-CB 4.34Å; L295-N365 HydrophobicContact CD1-CB 4.03Å; L295-N365 VanDerWaalsContact CD1-N 3.33Å; G296-N365 PolarHBondContact O-ND2 3.38Å; S298-N365 VanDerWaalsContact O-CB 3.23Å; S298-N365 WeakPolarHBondContact O-CB 3.39Å; S298-N365 PolarHBondContact O-ND2 3.43Å; S301-N365 WeakPolarHBondContact O-CB 2.99Å; S301-N365 PolarHBondContact O-N 3.09Å; N365-D367 PolarHBondContact ND2-O 3.48Å; N365-D367 VanDerWaalsContact ND2-O 3.14Å; N365-D367 PolarHBondContact OD1-N 2.86Å; N365-D367 VanDerWaalsContact OD1-N 3.15Å; N365-D367 PolarHBondContact OD1-O 3.31Å; N365-T369 PolarHBondContact ND2-O 3.03Å; N365-K371 HydrophobicContact CB-CG 4.32Å; N365-K371 WeakPolarHBondContact OD1-CE 3.08Å; N365-K371 VanDerWaalsContact OD1-CG 3.22Å; N365-K371 WeakPolarHBondContact OD1-CG 3.32Å |
| 366 | N | 86.1 | Confident | 91.7 | Very high | 41 Ų | 41 | 33.1 Ų | 33.1 | 22% | 0.219 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -95.8 | -8.5 | -178.2 | -160.1 | 46.1 | 0 | 0 | 0 | 112.8 | S326 R328 | S326-N366 WeakPolarHBondContact O-CB 3.02Å; S326-N366 PolarHBondContact OG-ND2 2.81Å; R328-N366 PolarHBondContact NH2-OD1 3.14Å |
| 367 | D | 83 | Confident | 91.9 | Very high | 51 Ų | 51 | 31.1 Ų | 31.1 | 27% | 0.273 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -150.8 | -173.3 | -179.4 | 60.2 | 48.3 | 0 | 0 | 0 | 111.5 | S298 Q299 N365 T369 K371 | S298-D367 CarbonylContact C-O 3.57Å; Q299-D367 WeakPolarHBondContact CA-O 3.24Å; Q299-D367 PolarHBondContact N-O 3.45Å; N365-D367 PolarHBondContact ND2-O 3.48Å; N365-D367 VanDerWaalsContact ND2-O 3.14Å; N365-D367 PolarHBondContact OD1-N 2.86Å; N365-D367 VanDerWaalsContact OD1-N 3.15Å; N365-D367 PolarHBondContact OD1-O 3.31Å; D367-T369 VanDerWaalsContact C-N 3.32Å; D367-T369 PolarHBondContact O-N 3.2Å; D367-T369 WeakPolarHBondContact OD1-CB 3.36Å; D367-T369 PolarHBondContact OD1-N 3.03Å; D367-T369 PolarHBondContact OD1-OG1 3.05Å; D367-K371 VanDerWaalsContact CG-CE 3.49Å; D367-K371 WeakPolarHBondContact OD1-CE 3.36Å; D367-K371 IonicContact OD1-NZ 3.78Å; D367-K371 PolarHBondContact OD1-NZ 3.16Å; D367-K371 WeakPolarHBondContact OD2-CE 3.5Å; D367-K371 IonicContact OD2-NZ 2.65Å; D367-K371 PolarHBondContact OD2-NZ 2.79Å |
| 368 | D | 77.8 | Confident | 92 | Very high | 74 Ų | 74 | 30 Ų | 30 | 40% | 0.396 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -93.6 | 31.9 | -178.7 | -64.1 | -45.7 | 0 | 0 | 0 | 113.6 | L297 Q299 | L297-D368 CarbonylContact O-C 3.52Å; L297-D368 WeakPolarHBondContact O-CA 3.35Å; L297-D368 VanDerWaalsContact O-O 3.05Å; Q299-D368 PolarHBondContact N-OD1 3.06Å |
| 369 | T | 81.8 | Confident | 92.1 | Very high | 71 Ų | 71 | 29.3 Ų | 29.3 | 44% | 0.436 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -119.5 | 153.2 | 175.8 | 68.8 | 0 | 0 | 0 | 0 | 111.9 | N365 D367 K371 | N365-T369 PolarHBondContact ND2-O 3.03Å; D367-T369 VanDerWaalsContact C-N 3.32Å; D367-T369 PolarHBondContact O-N 3.2Å; D367-T369 WeakPolarHBondContact OD1-CB 3.36Å; D367-T369 PolarHBondContact OD1-N 3.03Å; D367-T369 PolarHBondContact OD1-OG1 3.05Å; T369-K371 PolarHBondContact O-N 3.27Å; T369-K371 WeakPolarHBondContact OG1-CE 3.48Å; T369-K371 PolarHBondContact OG1-NZ 3.38Å |
| 370 | E | 85.3 | Confident | 92 | Very high | 65 Ų | 65 | 32.9 Ų | 32.9 | 30% | 0.304 | 17% | 0.165 | S | C | . | . | trans | -65.1 | 135.3 | 179.8 | -95.7 | 170.6 | -149.9 | 0 | 0 | 112.1 | R236 L297 T324 | R236-E370 IonicContact CZ-OE1 2.83Å; R236-E370 IonicContact CZ-OE2 3.94Å; R236-E370 VanDerWaalsContact CZ-OE2 3.25Å; R236-E370 IonicContact NH1-OE1 2.79Å; R236-E370 PolarHBondContact NH1-OE1 2.76Å; R236-E370 IonicContact NH1-OE2 3.65Å; R236-E370 PolarHBondContact NH1-OE2 3.5Å; R236-E370 IonicContact NH2-OE1 3.25Å; R236-E370 IonicContact NH2-OE2 2.73Å; R236-E370 PolarHBondContact NH2-OE2 3.47Å; L297-E370 HydrophobicContact CD2-CB 4.1Å; L297-E370 HydrophobicContact CD2-CG 3.63Å; L297-E370 HydrophobicContact CG-CG 3.78Å; T324-E370 PolarHBondContact OG1-O 3.24Å | ||
| 371 | K | 90.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 1% | 0.013 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129 | -180 | -51 | -64.2 | 176.4 | -162 | 0 | 110.5 | H294 L295 T324 L327 N365 D367 T369 | H294-K371 CarbonylContact C-O 3.54Å; H294-K371 VanDerWaalsContact CA-O 3.26Å; H294-K371 WeakPolarHBondContact CA-O 3.4Å; L295-K371 HydrophobicContact CB-CB 4.03Å; L295-K371 HydrophobicContact CB-CG 4.5Å; L295-K371 HydrophobicContact CD1-CB 4.24Å; L295-K371 HydrophobicContact CG-CB 4.3Å; L295-K371 PolarHBondContact N-O 2.01Å; L295-K371 PolarHBondContact O-N 2.04Å; L295-K371 VanDerWaalsContact O-N 3.1Å; T324-K371 WeakPolarHBondContact O-CD 3.35Å; T324-K371 WeakPolarHBondContact OG1-CA 3.48Å; L327-K371 HydrophobicContact CD2-CB 3.82Å; L327-K371 HydrophobicContact CD2-CD 4.39Å; L327-K371 HydrophobicContact CD2-CG 3.91Å; N365-K371 HydrophobicContact CB-CG 4.32Å; N365-K371 WeakPolarHBondContact OD1-CE 3.08Å; N365-K371 VanDerWaalsContact OD1-CG 3.22Å; N365-K371 WeakPolarHBondContact OD1-CG 3.32Å; D367-K371 VanDerWaalsContact CG-CE 3.49Å; D367-K371 WeakPolarHBondContact OD1-CE 3.36Å; D367-K371 IonicContact OD1-NZ 3.78Å; D367-K371 PolarHBondContact OD1-NZ 3.16Å; D367-K371 WeakPolarHBondContact OD2-CE 3.5Å; D367-K371 IonicContact OD2-NZ 2.65Å; D367-K371 PolarHBondContact OD2-NZ 2.79Å; T369-K371 PolarHBondContact O-N 3.27Å; T369-K371 WeakPolarHBondContact OG1-CE 3.48Å; T369-K371 PolarHBondContact OG1-NZ 3.38Å |
| 372 | T | 93.1 | Very high | 91.7 | Very high | 28 Ų | 28 | 35.7 Ų | 35.7 | 17% | 0.172 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 141.7 | 162.6 | -54.1 | 0 | 0 | 0 | 0 | 108.1 | I292 H294 C323 T324 | I292-T372 HydrophobicContact CG2-CG2 4.22Å; H294-T372 PolarHBondContact CD2-OG1 2.9Å; H294-T372 VanDerWaalsContact CD2-OG1 3.28Å; C323-T372 WeakPolarHBondContact CA-O 3.45Å; C323-T372 HydrophobicContact CB-CG2 4.23Å; C323-T372 WeakPolarHBondContact CB-O 2.93Å; C323-T372 PolarHBondContact N-O 3.27Å; T324-T372 PolarHBondContact N-O 2.77Å; T324-T372 PolarHBondContact OG1-N 3.4Å |
| 373 | Y | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 156.9 | 177.8 | 63.8 | -82.8 | 0 | 0 | 0 | 112 | A293 L295 H305 L320 Y321 L327 V363 L375 | A293-Y373 HydrophobicContact CB-CD1 4.47Å; A293-Y373 HydrophobicContact CB-CD2 4.46Å; A293-Y373 HydrophobicContact CB-CE1 3.78Å; A293-Y373 HydrophobicContact CB-CE2 3.79Å; A293-Y373 VanDerWaalsContact CB-CZ 3.43Å; A293-Y373 WeakPolarHBondContact CB-OH 3.06Å; A293-Y373 PolarHBondContact N-O 2.79Å; A293-Y373 WeakPolarHBondContact O-CD1 2.9Å; A293-Y373 PolarHBondContact O-N 3.02Å; L295-Y373 HydrophobicContact CD1-CE1 4.18Å; L295-Y373 HydrophobicContact CD2-CE1 4.01Å; L295-Y373 HydrophobicContact CG-CD1 4.44Å; L295-Y373 HydrophobicContact CG-CE1 3.76Å; H305-Y373 AromaticContact NE2-CE2 3.67Å; H305-Y373 AromaticContact NE2-CZ 3.62Å; H305-Y373 PolarHBondContact NE2-OH 2.78Å; L320-Y373 HydrophobicContact CD2-CD2 4.2Å; L320-Y373 HydrophobicContact CD2-CE2 4.48Å; Y321-Y373 VanDerWaalsContact O-CA 3.31Å; Y321-Y373 WeakPolarHBondContact O-CA 3.23Å; L327-Y373 HydrophobicContact CD1-CD1 4.15Å; L327-Y373 HydrophobicContact CD1-CD2 4.42Å; L327-Y373 HydrophobicContact CD1-CG 3.82Å; V363-Y373 HydrophobicContact CB-CE2 4.25Å; V363-Y373 HydrophobicContact CG1-CD1 4.46Å; V363-Y373 HydrophobicContact CG1-CE1 4.04Å; V363-Y373 HydrophobicContact CG1-CE2 4.06Å; V363-Y373 HydrophobicContact CG2-CE2 3.93Å; Y373-L375 HydrophobicContact CD2-CB 4.36Å; Y373-L375 HydrophobicContact CE2-CB 4.27Å |
| 374 | K | 96.7 | Very high | 91.6 | Very high | 25 Ų | 25 | 37.1 Ų | 37.1 | 11% | 0.109 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 135.4 | 170.6 | -56.8 | 176.3 | 166.6 | -179.1 | 0 | 108.7 | L290 T291 I292 L320 Y321 E497 | L290-K374 HydrophobicContact CD1-CB 3.97Å; L290-K374 HydrophobicContact CD2-CD 4.18Å; L290-K374 HydrophobicContact CG-CB 4.35Å; T291-K374 CarbonylContact O-C 3.55Å; T291-K374 WeakPolarHBondContact O-CA 3.49Å; I292-K374 HydrophobicContact CG1-CG 4.3Å; L320-K374 WeakPolarHBondContact CA-O 3.32Å; Y321-K374 HydrophobicContact CD1-CD 4.3Å; Y321-K374 PolarHBondContact N-O 3.45Å; Y321-K374 PolarHBondContact O-N 3.26Å; K374-E497 IonicContact NZ-OE2 3.56Å; K374-E497 PolarHBondContact NZ-OE2 3.39Å |
| 375 | L | 97.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 130.9 | 177.8 | 172.1 | 66.6 | 0 | 0 | 0 | 108.7 | I285 T291 H305 I318 T319 L320 I361 Y373 | I285-L375 HydrophobicContact CD1-CD2 4.01Å; I285-L375 HydrophobicContact CD1-CG 4.46Å; T291-L375 PolarHBondContact N-O 3.28Å; T291-L375 PolarHBondContact O-N 2.95Å; H305-L375 HydrophobicContact CB-CD2 3.56Å; H305-L375 WeakPolarHBondContact CD2-CD2 3.42Å; I318-L375 HydrophobicContact CG2-CD1 3.8Å; T319-L375 WeakPolarHBondContact O-CA 3.25Å; L320-L375 HydrophobicContact CD1-CD1 4.03Å; L320-L375 HydrophobicContact CD2-CD1 4.26Å; L320-L375 HydrophobicContact CG-CD1 3.78Å; I361-L375 HydrophobicContact CD1-CD1 4.25Å; I361-L375 HydrophobicContact CD1-CD2 4.41Å; I361-L375 HydrophobicContact CG2-CD1 4.42Å; Y373-L375 HydrophobicContact CD2-CB 4.36Å; Y373-L375 HydrophobicContact CE2-CB 4.27Å |
| 376 | W | 97.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 140.7 | 169.2 | 171.1 | 91.7 | 0 | 0 | 0 | 108.4 | G288 L290 L317 I318 T319 T383 Y384 P385 | G288-W376 VanDerWaalsContact C-NE1 3.34Å; G288-W376 VanDerWaalsContact O-CD1 3.31Å; G288-W376 PolarHBondContact O-NE1 2.81Å; L290-W376 HydrophobicContact CD1-CB 3.79Å; L317-W376 HydrophobicContact CB-CH2 3.92Å; L317-W376 HydrophobicContact CB-CZ3 3.52Å; L317-W376 HydrophobicContact CD1-CH2 4.27Å; L317-W376 HydrophobicContact CD1-CZ3 4.39Å; I318-W376 CarbonylContact C-O 3.41Å; I318-W376 WeakPolarHBondContact CA-O 3.12Å; T319-W376 PolarHBondContact N-O 2.5Å; T319-W376 PolarHBondContact O-N 2.86Å; W376-T383 WeakPolarHBondContact CZ2-OG1 2.85Å; W376-Y384 HydrophobicContact CE3-CD2 4.15Å; W376-Y384 HydrophobicContact CH2-CD2 4Å; W376-Y384 AromaticContact CZ3-CD2 3.74Å; W376-Y384 HydrophobicContact CZ3-CD2 3.74Å; W376-Y384 HydrophobicContact CZ3-CE2 4.44Å; W376-P385 HydrophobicContact CB-CG 4.06Å; W376-P385 HydrophobicContact CD2-CG 4.28Å; W376-P385 HydrophobicContact CG-CG 3.8Å |
| 377 | A | 97.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 134.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | I285 G288 L307 L316 L317 I318 I361 | I285-A377 HydrophobicContact CD1-CB 4.09Å; G288-A377 PolarHBondContact N-O 2.79Å; L307-A377 HydrophobicContact CD2-CB 3.86Å; L316-A377 HydrophobicContact CD2-CB 4.47Å; L317-A377 CarbonylContact O-C 3.47Å; L317-A377 WeakPolarHBondContact O-CA 3.48Å; I318-A377 HydrophobicContact CG1-CB 4.3Å; I361-A377 HydrophobicContact CD1-CB 4.06Å |
| 378 | S | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 148.9 | 175 | -170.4 | 0 | 0 | 0 | 0 | 113.3 | D287 L317 N380 T383 | D287-S378 WeakPolarHBondContact OD1-CA 3.12Å; D287-S378 PolarHBondContact OD1-OG 2.85Å; D287-S378 PolarHBondContact OD2-OG 3.21Å; L317-S378 PolarHBondContact N-O 2.78Å; L317-S378 PolarHBondContact O-N 2.84Å; S378-N380 VanDerWaalsContact C-N 3.28Å; S378-N380 PolarHBondContact OG-N 3.46Å; S378-N380 PolarHBondContact OG-O 2.89Å; S378-T383 PolarHBondContact OG-OG1 2.9Å |
| 379 | V | 96 | Very high | 93.1 | Very high | 61 Ų | 61 | 33.3 Ų | 33.3 | 37% | 0.37 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -76.4 | -17.1 | 163.3 | -62.8 | 0 | 0 | 0 | 0 | 112.7 | D287 V309 A313 L316 | D287-V379 PolarHBondContact OD1-N 2.6Å; D287-V379 VanDerWaalsContact OD1-N 3.14Å; V309-V379 HydrophobicContact CG1-CG1 4.4Å; A313-V379 HydrophobicContact CB-CB 4.07Å; A313-V379 HydrophobicContact CB-CG1 3.71Å; L316-V379 HydrophobicContact CB-CG1 4.26Å; L316-V379 HydrophobicContact CD1-CG1 3.86Å; L316-V379 HydrophobicContact CG-CG1 4.23Å |
| 380 | N | 94.6 | Very high | 93.4 | Very high | 76 Ų | 76 | 30.3 Ų | 30.3 | 41% | 0.406 | 18% | 0.178 | S | C | . | . | trans | -105.8 | 99.4 | 178.9 | -177.1 | 6.6 | 0 | 0 | 0 | 111.7 | S378 S382 T383 | S378-N380 VanDerWaalsContact C-N 3.28Å; S378-N380 PolarHBondContact OG-N 3.46Å; S378-N380 PolarHBondContact OG-O 2.89Å; N380-S382 PolarHBondContact ND2-OG 2.81Å; N380-S382 PolarHBondContact O-N 2.79Å; N380-S382 VanDerWaalsContact O-N 3.08Å; N380-S382 WeakPolarHBondContact OD1-CB 3.5Å; N380-S382 PolarHBondContact OD1-N 2.51Å; N380-S382 PolarHBondContact OD1-OG 2.95Å; N380-T383 HydrophobicContact CB-CG2 4.3Å; N380-T383 PolarHBondContact O-N 3.43Å; N380-T383 VanDerWaalsContact O-N 3.1Å; N380-T383 PolarHBondContact O-OG1 3.08Å | ||
| 381 | A | 92.8 | Very high | 93.6 | Very high | 61 Ų | 61 | 35.2 Ų | 35.2 | 50% | 0.504 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -58.5 | -22.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L317 T383 Y384 | L317-A381 HydrophobicContact CD1-CB 3.81Å; A381-T383 PolarHBondContact O-N 2.6Å; A381-Y384 VanDerWaalsContact O-CB 3.3Å; A381-Y384 WeakPolarHBondContact O-CB 3.38Å; A381-Y384 PolarHBondContact O-N 2.91Å; A381-Y384 VanDerWaalsContact O-N 3.17Å |
| 382 | S | 91.3 | Very high | 93.6 | Very high | 89 Ų | 89 | 37.7 Ų | 37.7 | 62% | 0.622 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -65.3 | -22.3 | 178.2 | 81.9 | 0 | 0 | 0 | 0 | 112.9 | N380 Y384 | N380-S382 PolarHBondContact ND2-OG 2.81Å; N380-S382 PolarHBondContact O-N 2.79Å; N380-S382 VanDerWaalsContact O-N 3.08Å; N380-S382 WeakPolarHBondContact OD1-CB 3.5Å; N380-S382 PolarHBondContact OD1-N 2.51Å; N380-S382 PolarHBondContact OD1-OG 2.95Å; S382-Y384 VanDerWaalsContact C-N 3.28Å; S382-Y384 PolarHBondContact O-N 3.47Å |
| 383 | T | 92.9 | Very high | 93.5 | Very high | 53 Ų | 53 | 38.1 Ų | 38.1 | 33% | 0.325 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -85 | 2.4 | 179.5 | 68.6 | 0 | 0 | 0 | 0 | 113.4 | W376 S378 N380 A381 | W376-T383 WeakPolarHBondContact CZ2-OG1 2.85Å; S378-T383 PolarHBondContact OG-OG1 2.9Å; N380-T383 HydrophobicContact CB-CG2 4.3Å; N380-T383 PolarHBondContact O-N 3.43Å; N380-T383 VanDerWaalsContact O-N 3.1Å; N380-T383 PolarHBondContact O-OG1 3.08Å; A381-T383 PolarHBondContact O-N 2.6Å |
| 384 | Y | 94.7 | Very high | 93.3 | Very high | 47 Ų | 47 | 39 Ų | 39 | 18% | 0.184 | 22% | 0.222 | C | C | . | . | trans | -51.7 | 123.3 | -179.3 | -176.8 | -109.3 | 0 | 0 | 0 | 111.7 | T319 W376 A381 S382 Y386 K493 | T319-Y384 HydrophobicContact CG2-CE2 4.18Å; T319-Y384 WeakPolarHBondContact OG1-CE2 3.27Å; W376-Y384 HydrophobicContact CE3-CD2 4.15Å; W376-Y384 HydrophobicContact CH2-CD2 4Å; W376-Y384 AromaticContact CZ3-CD2 3.74Å; W376-Y384 HydrophobicContact CZ3-CD2 3.74Å; W376-Y384 HydrophobicContact CZ3-CE2 4.44Å; A381-Y384 VanDerWaalsContact O-CB 3.3Å; A381-Y384 WeakPolarHBondContact O-CB 3.38Å; A381-Y384 PolarHBondContact O-N 2.91Å; A381-Y384 VanDerWaalsContact O-N 3.17Å; S382-Y384 VanDerWaalsContact C-N 3.28Å; S382-Y384 PolarHBondContact O-N 3.47Å; Y384-Y386 VanDerWaalsContact CD1-O 3.22Å; Y384-Y386 WeakPolarHBondContact CD1-O 3.29Å; Y384-Y386 VanDerWaalsContact CE1-O 3.28Å; Y384-Y386 WeakPolarHBondContact CE1-O 3.39Å; Y384-Y386 HydrophobicContact CE2-CD2 4.31Å; Y384-K493 PolarHBondContact O-NZ 3Å | ||
| 385 | P | 94.5 | Very high | 93.1 | Very high | 17 Ų | 17 | 38.2 Ų | 38.2 | 11% | 0.11 | 22% | 0.218 | C | C | . | . | trans | -83.1 | -18.2 | -164.7 | 28.1 | -33 | 0 | 0 | 0 | 114.1 | L290 W376 G496 E497 | L290-P385 HydrophobicContact CD1-CG 4.2Å; W376-P385 HydrophobicContact CB-CG 4.06Å; W376-P385 HydrophobicContact CD2-CG 4.28Å; W376-P385 HydrophobicContact CG-CG 3.8Å; P385-G496 WeakPolarHBondContact O-CA 3.33Å; P385-E497 HydrophobicContact CB-CG 4.12Å; P385-E497 PolarHBondContact O-N 3.39Å | ||
| 386 | Y | 94.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -97.9 | 153.9 | -172.4 | -63 | -77.1 | 0 | 0 | 0 | 112.9 | L290 T319 Y321 L346 Y384 E497 L499 | L290-Y386 HydrophobicContact CD1-CE2 4.37Å; T319-Y386 HydrophobicContact CG2-CD2 3.98Å; T319-Y386 HydrophobicContact CG2-CE2 3.79Å; Y321-Y386 HydrophobicContact CD1-CE1 4.03Å; L346-Y386 HydrophobicContact CD1-CD1 4.42Å; L346-Y386 HydrophobicContact CD1-CD2 3.8Å; L346-Y386 HydrophobicContact CD1-CE1 4.27Å; L346-Y386 HydrophobicContact CD1-CE2 3.64Å; L346-Y386 HydrophobicContact CD1-CG 4.21Å; L346-Y386 HydrophobicContact CD2-CD2 4.47Å; L346-Y386 HydrophobicContact CD2-CG 4.27Å; Y384-Y386 VanDerWaalsContact CD1-O 3.22Å; Y384-Y386 WeakPolarHBondContact CD1-O 3.29Å; Y384-Y386 VanDerWaalsContact CE1-O 3.28Å; Y384-Y386 WeakPolarHBondContact CE1-O 3.39Å; Y384-Y386 HydrophobicContact CE2-CD2 4.31Å; Y386-E497 HydrophobicContact CD1-CB 3.37Å; Y386-E497 HydrophobicContact CD1-CG 4.18Å; Y386-E497 HydrophobicContact CE1-CB 3.37Å; Y386-E497 HydrophobicContact CE1-CG 3.77Å; Y386-E497 HydrophobicContact CG-CB 4.23Å; Y386-L499 HydrophobicContact CD1-CD1 4.14Å; Y386-L499 HydrophobicContact CD1-CD2 3.52Å; Y386-L499 HydrophobicContact CD1-CG 3.73Å; Y386-L499 HydrophobicContact CE1-CD2 3.84Å; Y386-L499 HydrophobicContact CE1-CG 4.5Å; Y386-L499 HydrophobicContact CG-CD1 4.35Å; Y386-L499 HydrophobicContact CG-CD2 4.37Å; Y386-L499 HydrophobicContact CG-CG 4.43Å |
| 387 | P | 92.3 | Very high | 92.8 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.032 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 148.9 | 170.3 | 29.5 | -33.8 | 0 | 0 | 0 | 110.2 | M389 H418 A491 K493 E497 L499 | P387-M389 HydrophobicContact CG-SD 4.22Å; P387-M389 PolarHBondContact O-N 2.93Å; P387-H418 HydrophobicContact CB-CB 4.39Å; P387-A491 HydrophobicContact CG-CB 4.17Å; P387-K493 HydrophobicContact CB-CB 4.2Å; P387-E497 WeakPolarHBondContact CD-O 3.2Å; P387-L499 HydrophobicContact CG-CB 4.41Å; P387-L499 HydrophobicContact CG-CD1 4.16Å; P387-L499 HydrophobicContact CG-CG 4.31Å |
| 388 | T | 89.5 | Confident | 92.6 | Very high | 48 Ų | 48 | 45.9 Ų | 45.9 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 133.2 | 164.2 | -56 | 0 | 0 | 0 | 0 | 108.1 | S414 Q416 | T388-S414 WeakPolarHBondContact O-CB 3.48Å; T388-S414 PolarHBondContact O-OG 3.26Å; T388-Q416 VanDerWaalsContact OG1-CD 3.27Å; T388-Q416 PolarHBondContact OG1-OE1 3.19Å |
| 389 | M | 89.1 | Confident | 92 | Very high | 48 Ų | 48 | 53.7 Ų | 53.7 | 24% | 0.236 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -102 | 151 | 176.9 | -62.3 | -61.8 | -73.3 | 0 | 0 | 109.7 | P387 T393 A491 L499 Y501 | P387-M389 HydrophobicContact CG-SD 4.22Å; P387-M389 PolarHBondContact O-N 2.93Å; M389-T393 HydrophobicContact CB-CG2 3.94Å; M389-T393 HydrophobicContact CE-CG2 3.65Å; M389-A491 HydrophobicContact CE-CB 4.44Å; M389-A491 HydrophobicContact SD-CB 3.99Å; M389-L499 HydrophobicContact CE-CB 4.31Å; M389-L499 HydrophobicContact CG-CD1 3.7Å; M389-L499 HydrophobicContact SD-CB 3.94Å; M389-L499 HydrophobicContact SD-CD1 3.96Å; M389-Y501 HydrophobicContact CE-CD2 3.71Å; M389-Y501 HydrophobicContact CE-CE2 3.53Å; M389-Y501 HydrophobicContact CE-CG 4.36Å |
| 390 | P | 89.5 | Confident | 91.5 | Very high | 7 Ų | 7 | 59.1 Ų | 59.1 | 5% | 0.045 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 164 | 169.8 | 30 | -37.8 | 0 | 0 | 0 | 111.3 | D392 T393 L412 E469 Y501 | P390-D392 WeakPolarHBondContact CG-O 3.37Å; P390-D392 PolarHBondContact O-N 2.82Å; P390-T393 HydrophobicContact CG-CG2 4.21Å; P390-L412 HydrophobicContact CB-CB 3.7Å; P390-L412 HydrophobicContact CG-CB 4.02Å; P390-E469 VanDerWaalsContact CA-OE1 3.22Å; P390-E469 WeakPolarHBondContact CA-OE1 3.15Å; P390-E469 VanDerWaalsContact CB-OE2 3.27Å; P390-E469 WeakPolarHBondContact CB-OE2 3.29Å; P390-Y501 HydrophobicContact CG-CE1 3.97Å |
| 391 | F | 87.7 | Confident | 91.1 | Very high | 169 Ų | 169 | 55.7 Ų | 55.7 | 74% | 0.741 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -61.8 | -30.7 | 177.6 | 74 | -94.6 | 0 | 0 | 0 | 112.6 | L412 E469 | F391-L412 HydrophobicContact CD1-CD1 4.32Å; F391-L412 HydrophobicContact CE1-CD1 3.61Å; F391-L412 HydrophobicContact CE2-CD1 4.26Å; F391-L412 HydrophobicContact CZ-CD1 3.57Å; F391-E469 WeakPolarHBondContact CD1-OE1 3.48Å; F391-E469 WeakPolarHBondContact CD1-OE2 3.27Å; F391-E469 WeakPolarHBondContact CE1-OE2 3.32Å; F391-E469 PolarHBondContact N-OE1 3.44Å |
| 392 | D | 90.4 | Very high | 91.2 | Very high | 54 Ų | 54 | 57.9 Ų | 57.9 | 29% | 0.289 | 30% | 0.296 | S | S | . | . | trans | -119.6 | 113.9 | 173.4 | -173.9 | 6.1 | 0 | 0 | 0 | 110.8 | P390 S394 L412 | P390-D392 WeakPolarHBondContact CG-O 3.37Å; P390-D392 PolarHBondContact O-N 2.82Å; D392-S394 VanDerWaalsContact C-N 3.31Å; D392-S394 WeakPolarHBondContact OD1-CB 3.44Å; D392-S394 PolarHBondContact OD1-N 2.86Å; D392-S394 PolarHBondContact OD1-OG 2.79Å; D392-L412 HydrophobicContact CB-CD1 3.93Å | ||
| 393 | T | 92 | Very high | 91.4 | Very high | 37 Ų | 37 | 56 Ų | 56 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | trans | -95 | 20.5 | 178.7 | 58.5 | 0 | 0 | 0 | 0 | 112.5 | M389 P390 Y501 R502 | M389-T393 HydrophobicContact CB-CG2 3.94Å; M389-T393 HydrophobicContact CE-CG2 3.65Å; P390-T393 HydrophobicContact CG-CG2 4.21Å; T393-Y501 WeakPolarHBondContact O-CA 3.43Å; T393-Y501 VanDerWaalsContact O-CB 3.26Å; T393-Y501 WeakPolarHBondContact O-CB 3.25Å; T393-Y501 WeakPolarHBondContact O-CD1 3.38Å; T393-R502 PolarHBondContact O-N 2.86Å | ||
| 394 | S | 92.4 | Very high | 91.5 | Very high | 20 Ų | 20 | 54 Ų | 54 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -74 | 133.4 | 177.3 | -58.5 | 0 | 0 | 0 | 0 | 112 | D392 | D392-S394 VanDerWaalsContact C-N 3.31Å; D392-S394 WeakPolarHBondContact OD1-CB 3.44Å; D392-S394 PolarHBondContact OD1-N 2.86Å; D392-S394 PolarHBondContact OD1-OG 2.79Å |
| 395 | L | 92.2 | Very high | 91.6 | Very high | 7 Ų | 7 | 59.3 Ų | 59.3 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | trans | -92.4 | 110.8 | 166.9 | -177.1 | 59 | 0 | 0 | 0 | 108.9 | L409 W411 L422 F487 L489 R502 V504 | L395-L409 HydrophobicContact CD1-CB 4.06Å; L395-L409 HydrophobicContact CD1-CD1 4.44Å; L395-L409 HydrophobicContact CD2-CD1 4.39Å; L395-W411 HydrophobicContact CD1-CB 4.22Å; L395-W411 HydrophobicContact CD1-CD2 4.48Å; L395-W411 HydrophobicContact CD1-CE3 3.85Å; L395-L422 HydrophobicContact CD2-CD1 4.12Å; L395-F487 HydrophobicContact CD2-CB 3.92Å; L395-L489 HydrophobicContact CD1-CD2 4.32Å; L395-L489 HydrophobicContact CD2-CB 4.12Å; L395-R502 VanDerWaalsContact CB-O 3.29Å; L395-R502 WeakPolarHBondContact CB-O 3.39Å; L395-V504 HydrophobicContact CB-CB 4.42Å; L395-V504 HydrophobicContact CB-CG1 4.26Å; L395-V504 HydrophobicContact CD2-CG1 3.68Å; L395-V504 HydrophobicContact CG-CB 4.42Å; L395-V504 HydrophobicContact CG-CG1 3.73Å; L395-V504 WeakPolarHBondContact O-CB 3.41Å | ||
| 396 | L | 93.5 | Very high | 91.7 | Very high | 81 Ų | 81 | 58.6 Ų | 58.6 | 42% | 0.424 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 143 | -172.3 | -57.8 | 178.6 | 0 | 0 | 0 | 111.5 | L409 G410 | L396-L409 CarbonylContact O-C 3.59Å; L396-L409 WeakPolarHBondContact O-CA 3.43Å; L396-G410 PolarHBondContact N-O 2.92Å; L396-G410 PolarHBondContact O-N 2.86Å |
| 397 | V | 93.9 | Very high | 91.8 | Very high | 53 Ų | 53 | 58.5 Ų | 58.5 | 32% | 0.321 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 116.3 | 161.2 | -177.8 | 0 | 0 | 0 | 0 | 107.4 | V407 L409 V504 V506 | V397-V407 HydrophobicContact CG1-CG2 3.72Å; V397-V407 HydrophobicContact CG2-CG2 4.31Å; V397-L409 HydrophobicContact CG2-CD2 3.95Å; V397-V504 HydrophobicContact CG2-CG2 3.97Å; V397-V506 HydrophobicContact CG2-CG1 4.4Å; V397-V506 HydrophobicContact CG2-CG2 3.37Å |
| 398 | L | 93.2 | Very high | 92 | Very high | 29 Ų | 29 | 62.7 Ų | 62.7 | 15% | 0.152 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 144.8 | -178.6 | -58 | -173.7 | 0 | 0 | 0 | 110.9 | H400 G401 R408 M471 T473 | L398-H400 PolarHBondContact O-N 3.12Å; L398-G401 WeakPolarHBondContact O-CA 3.48Å; L398-G401 PolarHBondContact O-N 2.89Å; L398-R408 HydrophobicContact CD1-CG 3.99Å; L398-R408 PolarHBondContact N-O 2.82Å; L398-M471 HydrophobicContact CD1-CE 4.5Å; L398-M471 HydrophobicContact CD2-CE 4.17Å; L398-M471 HydrophobicContact CD2-SD 4.13Å; L398-T473 HydrophobicContact CD1-CG2 3.59Å |
| 399 | E | 85.5 | Confident | 92.4 | Very high | 164 Ų | 164 | 60.4 Ų | 60.4 | 77% | 0.766 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 139 | 176.2 | -69.1 | -171.3 | 165.1 | 0 | 0 | 111.4 | G401 R408 | E399-G401 PolarHBondContact O-N 3.19Å; E399-R408 PolarHBondContact O-NH2 3.15Å |
| 400 | H | 85.5 | Confident | 92.6 | Very high | 174 Ų | 174 | 58.1 Ų | 58.1 | 81% | 0.806 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 54.9 | 6.9 | -173.3 | -49.9 | -72.4 | 0 | 0 | 0 | 114.8 | L398 R402 | L398-H400 PolarHBondContact O-N 3.12Å; H400-R402 PolarHBondContact O-N 3Å |
| 401 | G | 87 | Confident | 92.9 | Very high | 4 Ų | 4 | 58 Ų | 58 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -2.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L398 E399 V407 R408 | L398-G401 WeakPolarHBondContact O-CA 3.48Å; L398-G401 PolarHBondContact O-N 2.89Å; E399-G401 PolarHBondContact O-N 3.19Å; G401-V407 CarbonylContact O-C 3.55Å; G401-V407 VanDerWaalsContact O-CA 3.25Å; G401-V407 WeakPolarHBondContact O-CA 3.44Å; G401-R408 PolarHBondContact O-N 2.83Å |
| 402 | R | 94 | Very high | 93.1 | Very high | 107 Ų | 107 | 51.4 Ų | 51.4 | 40% | 0.404 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 118.8 | -176.7 | -174.5 | 178.7 | 70.1 | 143.9 | -8.9 | 111.3 | H400 V506 K507 K509 | H400-R402 PolarHBondContact O-N 3Å; R402-V506 HydrophobicContact CG-CG1 4.27Å; R402-K507 VanDerWaalsContact CD-O 3.31Å; R402-K507 WeakPolarHBondContact CD-O 3.21Å; R402-K507 PolarHBondContact NH1-O 2.98Å; R402-K509 WeakPolarHBondContact O-CE 3.31Å; R402-K509 PolarHBondContact O-NZ 3.08Å |
| 403 | T | 95.5 | Very high | 92.8 | Very high | 51 Ų | 51 | 49.7 Ų | 49.7 | 31% | 0.313 | 23% | 0.234 | S | C | . | . | trans | -113.3 | -173.2 | 171.9 | 75.9 | 0 | 0 | 0 | 0 | 110.8 | R405 S406 K509 | T403-R405 PolarHBondContact OG1-N 3.08Å; T403-R405 VanDerWaalsContact OG1-N 3.08Å; T403-S406 WeakPolarHBondContact CG2-OG 3.47Å; T403-S406 PolarHBondContact N-O 3.08Å; T403-S406 PolarHBondContact OG1-N 2.81Å; T403-S406 PolarHBondContact OG1-O 2.75Å; T403-S406 PolarHBondContact OG1-OG 2.93Å; T403-K509 PolarHBondContact O-N 3.13Å; T403-K509 VanDerWaalsContact O-N 3.08Å | ||
| 404 | C | 95.4 | Very high | 92.5 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 7% | 0.068 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -71.1 | -18.6 | 169.6 | 57.6 | 0 | 0 | 0 | 0 | 112.7 | R480 P481 K509 F511 C512 | C404-R480 CarbonylContact O-C 3.47Å; C404-P481 HydrophobicContact CB-CB 4.23Å; C404-P481 HydrophobicContact CB-CG 4.13Å; C404-P481 VanDerWaalsContact O-CA 3.28Å; C404-P481 WeakPolarHBondContact O-CA 3.12Å; C404-K509 HydrophobicContact CB-CB 4.27Å; C404-F511 WeakPolarHBondContact CB-O 3.29Å; C404-C512 HydrophobicContact CB-CB 4.08Å; C404-C512 WeakPolarHBondContact CB-SG 3.49Å; C404-C512 WeakPolarHBondContact SG-CA 3.48Å; C404-C512 WeakPolarHBondContact SG-CB 3.41Å; C404-C512 CovalentContact SG-SG 2.02Å; C404-C512 PolarHBondContact SG-SG 2.76Å |
| 405 | R | 96.2 | Very high | 91.8 | Very high | 158 Ų | 158 | 50.8 Ų | 50.8 | 60% | 0.596 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -132.6 | -1.9 | -170.7 | -67.1 | 178.2 | 106.7 | 134.6 | 3.9 | 114.8 | T403 G478 L479 | T403-R405 PolarHBondContact OG1-N 3.08Å; T403-R405 VanDerWaalsContact OG1-N 3.08Å; R405-G478 PolarHBondContact O-N 3.01Å; R405-G478 VanDerWaalsContact O-N 3.08Å; R405-L479 WeakPolarHBondContact CA-O 3.46Å; R405-L479 PolarHBondContact O-N 2.88Å |
| 406 | S | 96.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | trans | -147.7 | 156.2 | 179.8 | 69.9 | 0 | 0 | 0 | 0 | 112.4 | T403 E475 V476 M477 | T403-S406 WeakPolarHBondContact CG2-OG 3.47Å; T403-S406 PolarHBondContact N-O 3.08Å; T403-S406 PolarHBondContact OG1-N 2.81Å; T403-S406 PolarHBondContact OG1-O 2.75Å; T403-S406 PolarHBondContact OG1-OG 2.93Å; S406-E475 VanDerWaalsContact CB-OE1 3.29Å; S406-E475 WeakPolarHBondContact CB-OE1 3.29Å; S406-E475 PolarHBondContact OG-OE1 2.81Å; S406-V476 WeakPolarHBondContact CA-O 2.99Å; S406-V476 WeakPolarHBondContact CB-O 3.4Å; S406-M477 WeakPolarHBondContact CB-SD 3.48Å | ||
| 407 | V | 96.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 136.1 | 166.5 | 68.5 | 0 | 0 | 0 | 0 | 109.4 | V397 G401 L409 V476 L479 F487 V506 | V397-V407 HydrophobicContact CG1-CG2 3.72Å; V397-V407 HydrophobicContact CG2-CG2 4.31Å; G401-V407 CarbonylContact O-C 3.55Å; G401-V407 VanDerWaalsContact O-CA 3.25Å; G401-V407 WeakPolarHBondContact O-CA 3.44Å; V407-L409 HydrophobicContact CG1-CD2 4.32Å; V407-L409 HydrophobicContact CG1-CG 4.25Å; V407-L409 HydrophobicContact CG2-CD2 3.98Å; V407-V476 HydrophobicContact CG1-CB 4.14Å; V407-V476 HydrophobicContact CG1-CG2 4.45Å; V407-V476 PolarHBondContact N-O 2.99Å; V407-V476 PolarHBondContact O-N 2.99Å; V407-L479 HydrophobicContact CB-CD1 4.2Å; V407-L479 HydrophobicContact CG1-CD1 3.85Å; V407-F487 HydrophobicContact CG1-CE1 4.22Å; V407-F487 HydrophobicContact CG1-CE2 3.71Å; V407-F487 HydrophobicContact CG1-CZ 3.47Å; V407-F487 VanDerWaalsContact CG1-CZ 3.47Å; V407-V506 HydrophobicContact CB-CG1 4.43Å; V407-V506 HydrophobicContact CG2-CB 4.48Å; V407-V506 HydrophobicContact CG2-CG1 3.86Å; V407-V506 HydrophobicContact CG2-CG2 4.25Å |
| 408 | R | 97.1 | Very high | 90.5 | Very high | 92 Ų | 92 | 50.4 Ų | 50.4 | 35% | 0.347 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 118.3 | 173.5 | -169.7 | 165.8 | 37.6 | 119 | 4.2 | 109.7 | L398 E399 G401 R474 E475 | L398-R408 HydrophobicContact CD1-CG 3.99Å; L398-R408 PolarHBondContact N-O 2.82Å; E399-R408 PolarHBondContact O-NH2 3.15Å; G401-R408 PolarHBondContact O-N 2.83Å; R408-R474 CarbonylContact C-O 3.58Å; R408-R474 WeakPolarHBondContact CA-O 3.05Å; R408-E475 HydrophobicContact CB-CG 4.43Å; R408-E475 HydrophobicContact CG-CB 4.46Å |
| 409 | L | 96.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 152.6 | -177.8 | -58.7 | 174.9 | 0 | 0 | 0 | 110.5 | L395 L396 V397 V407 L422 T473 R474 V476 F487 V504 | L395-L409 HydrophobicContact CD1-CB 4.06Å; L395-L409 HydrophobicContact CD1-CD1 4.44Å; L395-L409 HydrophobicContact CD2-CD1 4.39Å; L396-L409 CarbonylContact O-C 3.59Å; L396-L409 WeakPolarHBondContact O-CA 3.43Å; V397-L409 HydrophobicContact CG2-CD2 3.95Å; V407-L409 HydrophobicContact CG1-CD2 4.32Å; V407-L409 HydrophobicContact CG1-CG 4.25Å; V407-L409 HydrophobicContact CG2-CD2 3.98Å; L409-L422 HydrophobicContact CD1-CD1 4.21Å; L409-L422 HydrophobicContact CD1-CD2 4.05Å; L409-T473 CarbonylContact O-C 3.56Å; L409-T473 VanDerWaalsContact O-CA 3.29Å; L409-T473 WeakPolarHBondContact O-CA 3.38Å; L409-R474 PolarHBondContact N-O 3.38Å; L409-R474 PolarHBondContact O-N 3.39Å; L409-V476 HydrophobicContact CD1-CG2 4.21Å; L409-F487 HydrophobicContact CD1-CB 4.02Å; L409-F487 HydrophobicContact CD1-CD1 3.78Å; L409-F487 HydrophobicContact CD1-CD2 4.27Å; L409-F487 HydrophobicContact CD1-CE1 4.31Å; L409-F487 HydrophobicContact CD1-CG 3.76Å; L409-V504 HydrophobicContact CD2-CG1 4.08Å |
| 410 | G | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 147.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L396 I472 | L396-G410 PolarHBondContact N-O 2.92Å; L396-G410 PolarHBondContact O-N 2.86Å; G410-I472 CarbonylContact C-O 3.5Å; G410-I472 WeakPolarHBondContact CA-O 3.48Å |
| 411 | W | 94.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 2% | 0.019 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 161.9 | 176 | 65.9 | 94.1 | 0 | 0 | 0 | 110.2 | L395 V420 F455 M471 I472 R474 L489 Y501 | L395-W411 HydrophobicContact CD1-CB 4.22Å; L395-W411 HydrophobicContact CD1-CD2 4.48Å; L395-W411 HydrophobicContact CD1-CE3 3.85Å; W411-V420 HydrophobicContact CZ2-CG1 4.43Å; W411-F455 AromaticContact CH2-CE1 3.41Å; W411-F455 HydrophobicContact CH2-CE1 3.41Å; W411-F455 VanDerWaalsContact CH2-CE1 3.41Å; W411-F455 HydrophobicContact CH2-CE2 4.33Å; W411-F455 AromaticContact CH2-CZ 3.26Å; W411-F455 HydrophobicContact CH2-CZ 3.26Å; W411-F455 HydrophobicContact CZ2-CE1 4Å; W411-F455 HydrophobicContact CZ2-CE2 4.2Å; W411-F455 AromaticContact CZ2-CZ 3.34Å; W411-F455 HydrophobicContact CZ2-CZ 3.34Å; W411-F455 HydrophobicContact CZ3-CE1 4.15Å; W411-F455 HydrophobicContact CZ3-CZ 4.3Å; W411-M471 CarbonylContact O-C 3.58Å; W411-M471 WeakPolarHBondContact O-CA 3.4Å; W411-I472 HydrophobicContact CD2-CB 4.23Å; W411-I472 HydrophobicContact CH2-CB 4.31Å; W411-I472 HydrophobicContact CH2-CG2 3.58Å; W411-I472 HydrophobicContact CZ2-CB 3.73Å; W411-I472 HydrophobicContact CZ2-CD1 4.24Å; W411-I472 HydrophobicContact CZ2-CG2 3.26Å; W411-I472 HydrophobicContact CZ3-CG2 4.35Å; W411-I472 PolarHBondContact N-O 3.21Å; W411-I472 PolarHBondContact O-N 3.03Å; W411-R474 HydrophobicContact CH2-CB 3.89Å; W411-R474 HydrophobicContact CZ3-CB 3.84Å; W411-L489 HydrophobicContact CB-CD2 3.89Å; W411-L489 HydrophobicContact CD2-CD1 4.49Å; W411-L489 HydrophobicContact CD2-CD2 3.56Å; W411-L489 HydrophobicContact CE3-CD2 4.22Å; W411-L489 HydrophobicContact CG-CD2 3.36Å; W411-L489 HydrophobicContact CZ2-CD1 4.45Å; W411-Y501 HydrophobicContact CB-CD1 4.29Å; W411-Y501 HydrophobicContact CB-CE1 4.11Å; W411-Y501 HydrophobicContact CG-CE1 4.42Å |
| 412 | L | 92 | Very high | 91.7 | Very high | 31 Ų | 31 | 35.4 Ų | 35.4 | 16% | 0.162 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 136.7 | 177.7 | -60.5 | 179.3 | 0 | 0 | 0 | 111.7 | P390 F391 D392 E469 M471 Y501 | P390-L412 HydrophobicContact CB-CB 3.7Å; P390-L412 HydrophobicContact CG-CB 4.02Å; F391-L412 HydrophobicContact CD1-CD1 4.32Å; F391-L412 HydrophobicContact CE1-CD1 3.61Å; F391-L412 HydrophobicContact CE2-CD1 4.26Å; F391-L412 HydrophobicContact CZ-CD1 3.57Å; D392-L412 HydrophobicContact CB-CD1 3.93Å; L412-E469 VanDerWaalsContact CD1-OE2 3.25Å; L412-E469 WeakPolarHBondContact CD1-OE2 3.27Å; L412-M471 HydrophobicContact CD2-CB 4.12Å; L412-Y501 PolarHBondContact O-OH 2.97Å |
| 413 | E | 85.7 | Confident | 91.8 | Very high | 17 Ų | 17 | 31.7 Ų | 31.7 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -77.3 | 143.6 | 174.3 | -167.3 | 176.7 | 168.7 | 0 | 0 | 111.4 | F459 H462 V470 I472 | E413-F459 HydrophobicContact CG-CD1 4.36Å; E413-F459 HydrophobicContact CG-CG 4.48Å; E413-F459 WeakPolarHBondContact OE1-CB 3.37Å; E413-F459 WeakPolarHBondContact OE1-CD1 3.36Å; E413-F459 WeakPolarHBondContact OE1-CG 3.45Å; E413-H462 IonicContact OE1-ND1 3.08Å; E413-V470 WeakPolarHBondContact CB-O 3.25Å; E413-V470 PolarHBondContact N-O 2.8Å; E413-I472 HydrophobicContact CB-CD1 3.62Å; E413-I472 HydrophobicContact CB-CG1 4.12Å; E413-I472 HydrophobicContact CG-CD1 3.77Å |
| 414 | S | 83.8 | Confident | 91.7 | Very high | 7 Ų | 7 | 30.6 Ų | 30.6 | 5% | 0.049 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -75.7 | 151.3 | 170 | 172.6 | 0 | 0 | 0 | 0 | 112.5 | T388 Q416 H418 | T388-S414 WeakPolarHBondContact O-CB 3.48Å; T388-S414 PolarHBondContact O-OG 3.26Å; S414-Q416 VanDerWaalsContact C-N 3.3Å; S414-Q416 PolarHBondContact O-N 2.78Å; S414-Q416 PolarHBondContact OG-N 3.15Å; S414-H418 PolarHBondContact N-CE1 2.96Å |
| 415 | T | 79.6 | Confident | 91.5 | Very high | 73 Ų | 73 | 32 Ų | 32 | 45% | 0.448 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -70.7 | -21.3 | 179.2 | 56 | 0 | 0 | 0 | 0 | 114.1 | ||
| 416 | Q | 82 | Confident | 91.2 | Very high | 94 Ų | 94 | 29.8 Ų | 29.8 | 44% | 0.439 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -104.4 | 165 | -177.3 | -67.2 | -171.9 | 3.7 | 0 | 0 | 112.6 | T388 S414 H418 | T388-Q416 VanDerWaalsContact OG1-CD 3.27Å; T388-Q416 PolarHBondContact OG1-OE1 3.19Å; S414-Q416 VanDerWaalsContact C-N 3.3Å; S414-Q416 PolarHBondContact O-N 2.78Å; S414-Q416 PolarHBondContact OG-N 3.15Å; Q416-H418 PolarHBondContact O-N 2.83Å; Q416-H418 PolarHBondContact O-ND1 2.81Å |
| 417 | A | 81.8 | Confident | 90.7 | Very high | 39 Ų | 39 | 30.3 Ų | 30.3 | 32% | 0.322 | 15% | 0.149 | S | C | . | . | trans | -62.9 | 123.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F459 P494 | A417-F459 WeakPolarHBondContact CA-O 3.39Å; A417-P494 WeakPolarHBondContact O-CD 3.26Å | ||
| 418 | H | 86.9 | Confident | 89.7 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 163.1 | -177.5 | 63.9 | -67.9 | 0 | 0 | 0 | 110.4 | P387 S414 Q416 V420 F459 S492 | P387-H418 HydrophobicContact CB-CB 4.39Å; S414-H418 PolarHBondContact N-CE1 2.96Å; Q416-H418 PolarHBondContact O-N 2.83Å; Q416-H418 PolarHBondContact O-ND1 2.81Å; H418-V420 WeakPolarHBondContact CD2-CG2 3.1Å; H418-V420 WeakPolarHBondContact NE2-CG2 3.32Å; H418-F459 PolarHBondContact N-O 2.84Å; H418-F459 PolarHBondContact O-N 2.98Å; H418-S492 WeakPolarHBondContact CA-O 3.27Å |
| 419 | S | 92.8 | Very high | 88.3 | Confident | 29 Ų | 29 | 39.1 Ų | 39.1 | 20% | 0.203 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 136 | 168.6 | -65.2 | 0 | 0 | 0 | 0 | 109.5 | R457 A491 S492 | S419-R457 CarbonylContact C-O 3.56Å; S419-R457 WeakPolarHBondContact CA-O 3.38Å; S419-A491 CarbonylContact O-C 3.4Å; S419-A491 VanDerWaalsContact O-CA 3.31Å; S419-A491 WeakPolarHBondContact O-CA 3.46Å; S419-S492 PolarHBondContact N-O 2.9Å; S419-S492 PolarHBondContact O-N 3.13Å |
| 420 | V | 93.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.2 | 175.3 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | W411 H418 F455 C456 R457 F459 L489 Y490 | W411-V420 HydrophobicContact CZ2-CG1 4.43Å; H418-V420 WeakPolarHBondContact CD2-CG2 3.1Å; H418-V420 WeakPolarHBondContact NE2-CG2 3.32Å; V420-F455 HydrophobicContact CG1-CE2 4.38Å; V420-F455 HydrophobicContact CG1-CZ 4.16Å; V420-F455 WeakPolarHBondContact O-CE2 3.38Å; V420-C456 CarbonylContact O-C 3.6Å; V420-C456 VanDerWaalsContact O-CA 3.28Å; V420-C456 WeakPolarHBondContact O-CA 3.07Å; V420-C456 PolarHBondContact O-SG 2.86Å; V420-R457 PolarHBondContact N-O 3.19Å; V420-R457 PolarHBondContact O-N 3.41Å; V420-F459 HydrophobicContact CB-CD2 4.41Å; V420-F459 HydrophobicContact CB-CE2 3.99Å; V420-F459 HydrophobicContact CG2-CD2 3.99Å; V420-F459 HydrophobicContact CG2-CE2 3.9Å; V420-L489 HydrophobicContact CG1-CD1 3.27Å; V420-L489 HydrophobicContact CG1-CD2 3.98Å; V420-L489 HydrophobicContact CG1-CG 3.61Å; V420-Y490 CarbonylContact C-O 3.57Å; V420-Y490 VanDerWaalsContact CA-O 3.28Å; V420-Y490 WeakPolarHBondContact CA-O 3.24Å |
| 421 | C | 95 | Very high | 84.9 | Confident | 26 Ų | 26 | 48.4 Ų | 48.4 | 18% | 0.176 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 131.1 | 173.3 | -52 | 0 | 0 | 0 | 0 | 110.8 | F423 L453 F455 C456 Y490 | C421-F423 HydrophobicContact CB-CE2 3.64Å; C421-F423 HydrophobicContact CB-CZ 4.11Å; C421-L453 HydrophobicContact CB-CD1 4.04Å; C421-F455 CarbonylContact C-O 3.39Å; C421-F455 VanDerWaalsContact CA-O 3.32Å; C421-F455 WeakPolarHBondContact CA-O 3.45Å; C421-C456 HydrophobicContact CB-CB 3.71Å; C421-C456 WeakPolarHBondContact CB-SG 3.41Å; C421-C456 WeakPolarHBondContact SG-CB 3.27Å; C421-C456 CovalentContact SG-SG 2.05Å; C421-C456 PolarHBondContact SG-SG 2.89Å; C421-Y490 PolarHBondContact N-O 3.19Å; C421-Y490 PolarHBondContact O-N 2.75Å |
| 422 | L | 96 | Very high | 83 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 133.6 | 175.5 | 176.5 | 69.8 | 0 | 0 | 0 | 110.2 | L395 L409 V454 F455 V476 F487 L489 | L395-L422 HydrophobicContact CD2-CD1 4.12Å; L409-L422 HydrophobicContact CD1-CD1 4.21Å; L409-L422 HydrophobicContact CD1-CD2 4.05Å; L422-V454 HydrophobicContact CB-CB 4.38Å; L422-V454 HydrophobicContact CD2-CB 4.05Å; L422-V454 HydrophobicContact CD2-CG1 4Å; L422-V454 HydrophobicContact CD2-CG2 4.47Å; L422-V454 HydrophobicContact CG-CB 4.11Å; L422-V454 HydrophobicContact CG-CG2 4.38Å; L422-V454 WeakPolarHBondContact O-CB 3.31Å; L422-V454 PolarHBondContact O-N 3.42Å; L422-F455 HydrophobicContact CB-CD1 3.36Å; L422-F455 HydrophobicContact CB-CE1 3.12Å; L422-F455 HydrophobicContact CB-CG 4.28Å; L422-F455 HydrophobicContact CB-CZ 3.85Å; L422-F455 HydrophobicContact CD2-CD1 3.73Å; L422-F455 HydrophobicContact CD2-CE1 3.61Å; L422-F455 HydrophobicContact CG-CD1 4.16Å; L422-F455 HydrophobicContact CG-CE1 3.96Å; L422-F455 PolarHBondContact N-O 2.79Å; L422-F455 PolarHBondContact O-N 2.92Å; L422-V476 HydrophobicContact CD2-CG2 3.94Å; L422-F487 HydrophobicContact CD1-CB 4.21Å; L422-F487 HydrophobicContact CD1-CD1 4.45Å; L422-L489 HydrophobicContact CB-CD1 3.72Å; L422-L489 HydrophobicContact CD1-CB 4.27Å; L422-L489 HydrophobicContact CD1-CD1 4Å; L422-L489 HydrophobicContact CG-CD1 4.44Å |
| 423 | F | 95.3 | Very high | 81.2 | Confident | 30 Ų | 30 | 56 Ų | 56 | 13% | 0.132 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 151.7 | 175.8 | -61.3 | -96.3 | 0 | 0 | 0 | 110.4 | C421 P447 E452 L453 F487 D488 Y490 | C421-F423 HydrophobicContact CB-CE2 3.64Å; C421-F423 HydrophobicContact CB-CZ 4.11Å; F423-P447 HydrophobicContact CB-CB 4.42Å; F423-P447 HydrophobicContact CD1-CB 3.69Å; F423-P447 HydrophobicContact CD1-CG 4.13Å; F423-P447 HydrophobicContact CD2-CB 3.94Å; F423-P447 HydrophobicContact CD2-CG 4.36Å; F423-P447 HydrophobicContact CE1-CB 3.84Å; F423-P447 HydrophobicContact CE1-CG 3.72Å; F423-P447 HydrophobicContact CE2-CB 4.07Å; F423-P447 HydrophobicContact CE2-CG 3.97Å; F423-P447 HydrophobicContact CG-CB 3.75Å; F423-P447 HydrophobicContact CG-CG 4.43Å; F423-P447 HydrophobicContact CZ-CB 4.03Å; F423-P447 HydrophobicContact CZ-CG 3.64Å; F423-E452 CarbonylContact C-O 3.47Å; F423-E452 VanDerWaalsContact CA-O 3.27Å; F423-E452 WeakPolarHBondContact CA-O 3.09Å; F423-L453 HydrophobicContact CD1-CB 4.09Å; F423-L453 HydrophobicContact CD1-CD1 4.07Å; F423-L453 HydrophobicContact CE1-CB 3.88Å; F423-L453 HydrophobicContact CE1-CD1 3.56Å; F423-L453 HydrophobicContact CE1-CG 4.31Å; F423-L453 HydrophobicContact CE2-CD1 4.09Å; F423-L453 HydrophobicContact CZ-CD1 3.57Å; F423-F487 WeakPolarHBondContact O-CA 3.49Å; F423-D488 PolarHBondContact N-O 2.99Å; F423-D488 PolarHBondContact O-N 2.9Å; F423-D488 VanDerWaalsContact O-N 3.1Å; F423-Y490 AromaticContact CD2-CD2 3.74Å; F423-Y490 HydrophobicContact CD2-CD2 3.74Å; F423-Y490 HydrophobicContact CD2-CE2 4.04Å; F423-Y490 AromaticContact CE2-CD2 3.87Å; F423-Y490 HydrophobicContact CE2-CD2 3.87Å; F423-Y490 HydrophobicContact CE2-CE2 4.42Å |
| 424 | K | 94.7 | Very high | 79.7 | Confident | 27 Ų | 27 | 55.5 Ų | 55.5 | 12% | 0.117 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 146.6 | 171.9 | 72.5 | -178 | 177.4 | -170.1 | 0 | 110.2 | E452 V454 V476 L479 R486 F487 | K424-E452 WeakPolarHBondContact CE-OE1 3.17Å; K424-E452 WeakPolarHBondContact CE-OE2 3.42Å; K424-E452 HydrophobicContact CG-CB 4.13Å; K424-E452 PolarHBondContact N-O 2.8Å; K424-E452 VanDerWaalsContact NZ-CD 3.32Å; K424-E452 IonicContact NZ-OE1 3.54Å; K424-E452 PolarHBondContact NZ-OE1 3.22Å; K424-E452 IonicContact NZ-OE2 3.46Å; K424-E452 PolarHBondContact NZ-OE2 3.19Å; K424-E452 PolarHBondContact O-N 3.11Å; K424-V454 HydrophobicContact CB-CG2 3.66Å; K424-V454 HydrophobicContact CD-CG2 3.64Å; K424-V454 HydrophobicContact CG-CG2 3.5Å; K424-V476 HydrophobicContact CD-CG1 4.02Å; K424-L479 HydrophobicContact CD-CD2 4.31Å; K424-R486 CarbonylContact C-O 3.57Å; K424-R486 WeakPolarHBondContact CA-O 3.48Å; K424-F487 HydrophobicContact CB-CD1 3.61Å; K424-F487 HydrophobicContact CB-CE1 3.43Å; K424-F487 VanDerWaalsContact CB-CE1 3.43Å; K424-F487 HydrophobicContact CB-CZ 4.32Å |
| 425 | R | 91.1 | Very high | 78.3 | Confident | 40 Ų | 40 | 59.8 Ų | 59.8 | 15% | 0.151 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 150.9 | 165.8 | 67.2 | -175.1 | -170.5 | 112.1 | 7 | 111 | E427 D450 Y485 R486 | R425-E427 IonicContact CZ-OE1 2.76Å; R425-E427 IonicContact CZ-OE2 3.56Å; R425-E427 IonicContact NE-OE1 3.57Å; R425-E427 PolarHBondContact NE-OE1 3.37Å; R425-E427 IonicContact NH1-OE1 2.63Å; R425-E427 IonicContact NH1-OE2 3.96Å; R425-E427 IonicContact NH2-OE1 3.47Å; R425-E427 PolarHBondContact NH2-OE1 3.36Å; R425-E427 IonicContact NH2-OE2 3.5Å; R425-D450 IonicContact NH1-OD2 2.88Å; R425-D450 PolarHBondContact NH1-OD2 3.46Å; R425-Y485 CarbonylContact O-C 3.58Å; R425-Y485 VanDerWaalsContact O-CA 3.29Å; R425-Y485 WeakPolarHBondContact O-CA 3.22Å; R425-R486 HydrophobicContact CG-CB 3.94Å; R425-R486 HydrophobicContact CG-CG 4.49Å; R425-R486 PolarHBondContact N-O 3.38Å; R425-R486 PolarHBondContact O-N 3.41Å |
| 426 | R | 90.3 | Very high | 77 | Confident | 112 Ų | 112 | 62.8 Ų | 62.8 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 125.2 | 176.1 | -177.7 | -178.9 | 176.8 | -155.4 | -4.4 | 108.6 | N483 Y485 | R426-N483 PolarHBondContact NE-OD1 3.32Å; R426-N483 PolarHBondContact NH2-OD1 2.93Å; R426-Y485 HydrophobicContact CB-CD1 4.16Å; R426-Y485 HydrophobicContact CB-CE1 3.92Å; R426-Y485 HydrophobicContact CG-CE1 4.27Å |
| 427 | E | 84.7 | Confident | 75.5 | Confident | 13 Ų | 13 | 62.4 Ų | 62.4 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 132.7 | 175.7 | -63.5 | -67.4 | 179.8 | 0 | 0 | 109.9 | R425 Q434 T484 R486 | R425-E427 IonicContact CZ-OE1 2.76Å; R425-E427 IonicContact CZ-OE2 3.56Å; R425-E427 IonicContact NE-OE1 3.57Å; R425-E427 PolarHBondContact NE-OE1 3.37Å; R425-E427 IonicContact NH1-OE1 2.63Å; R425-E427 IonicContact NH1-OE2 3.96Å; R425-E427 IonicContact NH2-OE1 3.47Å; R425-E427 PolarHBondContact NH2-OE1 3.36Å; R425-E427 IonicContact NH2-OE2 3.5Å; E427-Q434 VanDerWaalsContact CD-NE2 3.34Å; E427-Q434 PolarHBondContact OE2-NE2 2.92Å; E427-T484 HydrophobicContact CB-CG2 4.19Å; E427-T484 HydrophobicContact CG-CG2 4.48Å; E427-T484 PolarHBondContact N-O 2.91Å; E427-R486 HydrophobicContact CG-CB 3.98Å; E427-R486 VanDerWaalsContact OE1-CB 3.29Å; E427-R486 WeakPolarHBondContact OE1-CB 3.28Å; E427-R486 WeakPolarHBondContact OE1-CD 3.18Å |
| 428 | Q | 76.6 | Confident | 74.2 | Confident | 175 Ų | 175 | 64.2 Ų | 64.2 | 82% | 0.818 | 31% | 0.314 | S | S | * | . | trans | -98.3 | -27 | 177 | -60.9 | -170.8 | 16.1 | 0 | 0 | 112.4 | ||||
| 429 | D | 67.7 | Low | 72.4 | Confident | 102 Ų | 102 | 72.7 Ų | 72.7 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -78.6 | 157.8 | -179.7 | -50.8 | -52.8 | 0 | 0 | 0 | 111.8 | Q434 | D429-Q434 HydrophobicContact CB-CG 3.95Š|
| 430 | D | 62.1 | Low | 70.7 | Confident | 97 Ų | 97 | 76.9 Ų | 76.9 | 52% | 0.519 | 37% | 0.37 | S | S | . | . | trans | -64.3 | 140.3 | 176 | 179.6 | 40.9 | 0 | 0 | 0 | 111.6 | F432 T433 Q434 | D430-F432 PolarHBondContact O-N 2.85Å; D430-F432 VanDerWaalsContact O-N 3.14Å; D430-T433 WeakPolarHBondContact O-CA 3.41Å; D430-T433 VanDerWaalsContact O-CB 3.29Å; D430-T433 WeakPolarHBondContact O-CB 3.39Å; D430-T433 PolarHBondContact O-N 2.9Å; D430-Q434 WeakPolarHBondContact O-CG 2.97Å; D430-Q434 PolarHBondContact O-N 2.69Å | ||
| 431 | Y | 56.9 | Low | 69.3 | Low | 98 Ų | 98 | 80.2 Ų | 80.2 | 38% | 0.384 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -53.5 | -37.7 | -176.8 | 177 | -98.4 | 0 | 0 | 0 | 112.7 | Q434 L435 W505 | Y431-Q434 PolarHBondContact O-N 2.74Å; Y431-L435 HydrophobicContact CD1-CD1 3.88Å; Y431-L435 HydrophobicContact CE1-CD1 3.3Å; Y431-L435 HydrophobicContact CE1-CG 4.39Å; Y431-L435 HydrophobicContact CE2-CD1 4.42Å; Y431-L435 PolarHBondContact O-N 2.84Å; Y431-L435 VanDerWaalsContact O-N 3.11Å; Y431-W505 HydrophobicContact CD2-CB 4.45Å; Y431-W505 HydrophobicContact CE2-CB 4.04Å |
| 432 | F | 54.9 | Low | 68.3 | Low | 133 Ų | 133 | 81.4 Ų | 81.4 | 58% | 0.583 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -74.1 | -37.1 | 177.6 | -73.1 | -80.9 | 0 | 0 | 0 | 113.1 | D430 Q434 L435 I436 | D430-F432 PolarHBondContact O-N 2.85Å; D430-F432 VanDerWaalsContact O-N 3.14Å; F432-Q434 PolarHBondContact O-N 2.96Å; F432-L435 PolarHBondContact O-N 2.87Å; F432-I436 WeakPolarHBondContact O-CB 3.44Å; F432-I436 WeakPolarHBondContact O-CG1 3.24Å; F432-I436 PolarHBondContact O-N 3.12Å |
| 433 | T | 54.3 | Low | 67.5 | Low | 62 Ų | 62 | 85.7 Ų | 85.7 | 38% | 0.38 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.3 | -38.4 | 173.5 | -62.5 | 0 | 0 | 0 | 0 | 109.5 | D430 L437 | D430-T433 WeakPolarHBondContact O-CA 3.41Å; D430-T433 VanDerWaalsContact O-CB 3.29Å; D430-T433 WeakPolarHBondContact O-CB 3.39Å; D430-T433 PolarHBondContact O-N 2.9Å; T433-L437 HydrophobicContact CG2-CD1 3.4Å; T433-L437 VanDerWaalsContact CG2-CD1 3.4Å; T433-L437 HydrophobicContact CG2-CG 4.32Å; T433-L437 WeakPolarHBondContact O-CB 3.37Å; T433-L437 VanDerWaalsContact O-CG 3.29Å; T433-L437 WeakPolarHBondContact O-CG 2.94Å; T433-L437 PolarHBondContact O-N 3.05Å |
| 434 | Q | 53.7 | Low | 67 | Low | 8 Ų | 8 | 85.6 Ų | 85.6 | 4% | 0.037 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -72.1 | -45.2 | 178.6 | -63.2 | -166.8 | -16.5 | 0 | 0 | 113.4 | E427 D429 D430 Y431 F432 I436 L438 | E427-Q434 VanDerWaalsContact CD-NE2 3.34Å; E427-Q434 PolarHBondContact OE2-NE2 2.92Å; D429-Q434 HydrophobicContact CB-CG 3.95Å; D430-Q434 WeakPolarHBondContact O-CG 2.97Å; D430-Q434 PolarHBondContact O-N 2.69Å; Y431-Q434 PolarHBondContact O-N 2.74Å; F432-Q434 PolarHBondContact O-N 2.96Å; Q434-I436 PolarHBondContact O-N 2.93Å; Q434-L438 HydrophobicContact CB-CD1 3.9Å; Q434-L438 HydrophobicContact CB-CG 4.41Å; Q434-L438 VanDerWaalsContact O-CB 3.26Å; Q434-L438 WeakPolarHBondContact O-CB 3.36Å; Q434-L438 VanDerWaalsContact O-CD1 3.25Å; Q434-L438 WeakPolarHBondContact O-CD1 3.4Å; Q434-L438 WeakPolarHBondContact O-CG 3.46Å; Q434-L438 PolarHBondContact O-N 2.02Å |
| 435 | L | 55.6 | Low | 66.2 | Low | 97 Ų | 97 | 90.3 Ų | 90.3 | 51% | 0.508 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.5 | -29.5 | 177.6 | -79.2 | 167.3 | 0 | 0 | 0 | 113.6 | Y431 F432 | Y431-L435 HydrophobicContact CD1-CD1 3.88Å; Y431-L435 HydrophobicContact CE1-CD1 3.3Å; Y431-L435 HydrophobicContact CE1-CG 4.39Å; Y431-L435 HydrophobicContact CE2-CD1 4.42Å; Y431-L435 PolarHBondContact O-N 2.84Å; Y431-L435 VanDerWaalsContact O-N 3.11Å; F432-L435 PolarHBondContact O-N 2.87Å |
| 436 | I | 51.7 | Low | 65.8 | Low | 135 Ų | 135 | 90.2 Ų | 90.2 | 69% | 0.692 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -98.7 | -30.9 | -174 | -60.3 | 170.1 | 0 | 0 | 0 | 112.5 | F432 Q434 | F432-I436 WeakPolarHBondContact O-CB 3.44Å; F432-I436 WeakPolarHBondContact O-CG1 3.24Å; F432-I436 PolarHBondContact O-N 3.12Å; Q434-I436 PolarHBondContact O-N 2.93Å |
| 437 | L | 50.8 | Low | 65.4 | Low | 87 Ų | 87 | 87.5 Ų | 87.5 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -104.2 | -9.9 | -173.9 | -58.8 | 177.1 | 0 | 0 | 0 | 114.9 | T433 E439 | T433-L437 HydrophobicContact CG2-CD1 3.4Å; T433-L437 VanDerWaalsContact CG2-CD1 3.4Å; T433-L437 HydrophobicContact CG2-CG 4.32Å; T433-L437 WeakPolarHBondContact O-CB 3.37Å; T433-L437 VanDerWaalsContact O-CG 3.29Å; T433-L437 WeakPolarHBondContact O-CG 2.94Å; T433-L437 PolarHBondContact O-N 3.05Å; L437-E439 PolarHBondContact O-N 2.86Å |
| 438 | L | 53.4 | Low | 65.2 | Low | 77 Ų | 77 | 88.6 Ų | 88.6 | 40% | 0.403 | 46% | 0.457 | S | S | . | . | trans | -74.1 | 99.7 | 175.2 | -70.1 | 170.3 | 0 | 0 | 0 | 108.5 | Q434 E440 | Q434-L438 HydrophobicContact CB-CD1 3.9Å; Q434-L438 HydrophobicContact CB-CG 4.41Å; Q434-L438 VanDerWaalsContact O-CB 3.26Å; Q434-L438 WeakPolarHBondContact O-CB 3.36Å; Q434-L438 VanDerWaalsContact O-CD1 3.25Å; Q434-L438 WeakPolarHBondContact O-CD1 3.4Å; Q434-L438 WeakPolarHBondContact O-CG 3.46Å; Q434-L438 PolarHBondContact O-N 2.02Å; L438-E440 PolarHBondContact O-N 2.7Å | ||
| 439 | E | 50.5 | Low | 65.4 | Low | 179 Ų | 179 | 85.8 Ų | 85.8 | 84% | 0.836 | 46% | 0.463 | S | S | * | . | trans | -39.3 | 126.4 | 146.9 | -67.2 | 179.1 | 168.6 | 0 | 0 | 106.9 | L437 P441 | L437-E439 PolarHBondContact O-N 2.86Å; E439-P441 WeakPolarHBondContact O-CD 3.37Å | ||
| 440 | E | 57.3 | Low | 66.2 | Low | 116 Ų | 116 | 85.6 Ų | 85.6 | 54% | 0.542 | 46% | 0.462 | S | S | . | . | trans | -52.2 | 110.4 | 176.4 | -73.4 | -173 | 177 | 0 | 0 | 107.3 | L438 R443 | L438-E440 PolarHBondContact O-N 2.7Å; E440-R443 IonicContact OE1-NH2 3.5Å; E440-R443 PolarHBondContact OE1-NH2 2.88Å; E440-R443 IonicContact OE2-CZ 2.75Å; E440-R443 IonicContact OE2-NE 3.67Å; E440-R443 PolarHBondContact OE2-NE 2.91Å; E440-R443 IonicContact OE2-NH2 3.91Å; E440-R443 PolarHBondContact OE2-NH2 2.8Å | ||
| 441 | P | 63.5 | Low | 67.6 | Low | 70 Ų | 70 | 82 Ų | 82 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | trans | -60.7 | 152 | -173.9 | 22.6 | -31.2 | 0 | 0 | 0 | 108.1 | E439 R443 | E439-P441 WeakPolarHBondContact O-CD 3.37Å; P441-R443 PolarHBondContact O-N 2.73Å | ||
| 442 | N | 73.5 | Confident | 69.3 | Low | 51 Ų | 51 | 82.5 Ų | 82.5 | 27% | 0.273 | 45% | 0.451 | S | S | . | . | trans | -46.7 | 108.4 | 175.2 | 178.3 | -26.7 | 0 | 0 | 0 | 109.7 | C323 T324 C444 Q445 | C323-N442 VanDerWaalsContact CB-OD1 3.31Å; C323-N442 WeakPolarHBondContact CB-OD1 3.48Å; C323-N442 CarbonylContact O-C 3.57Å; C323-N442 WeakPolarHBondContact O-CA 3.39Å; T324-N442 HydrophobicContact CG2-CB 4.07Å; N442-C444 PolarHBondContact O-N 3.18Å; N442-C444 WeakPolarHBondContact OD1-CA 3.38Å; N442-C444 VanDerWaalsContact OD1-CB 3.3Å; N442-C444 WeakPolarHBondContact OD1-CB 3.37Å; N442-C444 PolarHBondContact OD1-N 2.96Å; N442-Q445 HydrophobicContact CB-CB 4.12Å; N442-Q445 WeakPolarHBondContact O-CB 3.33Å; N442-Q445 PolarHBondContact O-N 3.42Å; N442-Q445 PolarHBondContact OD1-N 3.47Å | ||
| 443 | R | 78.3 | Confident | 71.3 | Confident | 91 Ų | 91 | 80.7 Ų | 80.7 | 34% | 0.343 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -21.2 | -173.4 | -61.1 | -176.6 | 178.9 | -148.1 | 4 | 112.4 | Y321 C323 E440 P441 Q445 | Y321-R443 HydrophobicContact CE2-CB 4.19Å; Y321-R443 PolarHBondContact OH-O 2.91Å; C323-R443 PolarHBondContact O-N 2.99Å; E440-R443 IonicContact OE1-NH2 3.5Å; E440-R443 PolarHBondContact OE1-NH2 2.88Å; E440-R443 IonicContact OE2-CZ 2.75Å; E440-R443 IonicContact OE2-NE 3.67Å; E440-R443 PolarHBondContact OE2-NE 2.91Å; E440-R443 IonicContact OE2-NH2 3.91Å; E440-R443 PolarHBondContact OE2-NH2 2.8Å; P441-R443 PolarHBondContact O-N 2.73Å; R443-Q445 VanDerWaalsContact C-N 3.33Å |
| 444 | C | 85.5 | Confident | 73.2 | Confident | 28 Ų | 28 | 79.4 Ų | 79.4 | 19% | 0.189 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -11.8 | 175.3 | -60.6 | 0 | 0 | 0 | 0 | 112.9 | C323 N442 | C323-C444 WeakPolarHBondContact CA-SG 3.34Å; C323-C444 HydrophobicContact CB-CB 3.63Å; C323-C444 WeakPolarHBondContact CB-SG 3.33Å; C323-C444 WeakPolarHBondContact SG-CB 3.44Å; C323-C444 CovalentContact SG-SG 2.03Å; C323-C444 PolarHBondContact SG-SG 2.85Å; N442-C444 PolarHBondContact O-N 3.18Å; N442-C444 WeakPolarHBondContact OD1-CA 3.38Å; N442-C444 VanDerWaalsContact OD1-CB 3.3Å; N442-C444 WeakPolarHBondContact OD1-CB 3.37Å; N442-C444 PolarHBondContact OD1-N 2.96Å |
| 445 | Q | 78.4 | Confident | 75 | Confident | 126 Ų | 126 | 80.3 Ų | 80.3 | 59% | 0.589 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -73.2 | 131.1 | 172.3 | -165.7 | 169.1 | -1 | 0 | 0 | 108 | N442 R443 | N442-Q445 HydrophobicContact CB-CB 4.12Å; N442-Q445 WeakPolarHBondContact O-CB 3.33Å; N442-Q445 PolarHBondContact O-N 3.42Å; N442-Q445 PolarHBondContact OD1-N 3.47Å; R443-Q445 VanDerWaalsContact C-N 3.33Å |
| 446 | G | 81.9 | Confident | 76.9 | Confident | 38 Ų | 38 | 78.7 Ų | 78.7 | 39% | 0.392 | 44% | 0.439 | S | S | . | . | trans | -69.5 | -159.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A448 Y490 | G446-A448 PolarHBondContact O-N 3.34Å; G446-Y490 PolarHBondContact O-OH 3.08Å | ||
| 447 | P | 82.5 | Confident | 78.8 | Confident | 55 Ų | 55 | 79.5 Ų | 79.5 | 36% | 0.357 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -54.6 | 142 | 178.6 | 26.8 | -36.8 | 0 | 0 | 0 | 111.3 | F423 Y490 | F423-P447 HydrophobicContact CB-CB 4.42Å; F423-P447 HydrophobicContact CD1-CB 3.69Å; F423-P447 HydrophobicContact CD1-CG 4.13Å; F423-P447 HydrophobicContact CD2-CB 3.94Å; F423-P447 HydrophobicContact CD2-CG 4.36Å; F423-P447 HydrophobicContact CE1-CB 3.84Å; F423-P447 HydrophobicContact CE1-CG 3.72Å; F423-P447 HydrophobicContact CE2-CB 4.07Å; F423-P447 HydrophobicContact CE2-CG 3.97Å; F423-P447 HydrophobicContact CG-CB 3.75Å; F423-P447 HydrophobicContact CG-CG 4.43Å; F423-P447 HydrophobicContact CZ-CB 4.03Å; F423-P447 HydrophobicContact CZ-CG 3.64Å; P447-Y490 HydrophobicContact CB-CE2 4.16Å |
| 448 | A | 81.2 | Confident | 80.6 | Confident | 35 Ų | 35 | 82 Ų | 82 | 29% | 0.289 | 44% | 0.437 | S | S | . | . | trans | -63.3 | 151.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | G446 D450 S451 | G446-A448 PolarHBondContact O-N 3.34Å; A448-D450 WeakPolarHBondContact CB-OD1 3.32Å; A448-D450 PolarHBondContact O-N 3.07Å; A448-D450 VanDerWaalsContact O-N 3.12Å; A448-S451 PolarHBondContact N-OG 3.07Å; A448-S451 WeakPolarHBondContact O-CB 3.28Å; A448-S451 PolarHBondContact O-N 2.92Å; A448-S451 PolarHBondContact O-OG 2.93Å | ||
| 449 | A | 80.4 | Confident | 82.1 | Confident | 116 Ų | 116 | 79 Ų | 79 | 96% | 0.959 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 450 | D | 84.7 | Confident | 83.5 | Confident | 98 Ų | 98 | 77.1 Ų | 77.1 | 52% | 0.524 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 1.8 | 176.5 | 66.1 | -34.1 | 0 | 0 | 0 | 113.6 | R425 A448 | R425-D450 IonicContact NH1-OD2 2.88Å; R425-D450 PolarHBondContact NH1-OD2 3.46Å; A448-D450 WeakPolarHBondContact CB-OD1 3.32Å; A448-D450 PolarHBondContact O-N 3.07Å; A448-D450 VanDerWaalsContact O-N 3.12Å |
| 451 | S | 89.9 | Confident | 84 | Confident | 21 Ų | 21 | 76.8 Ų | 76.8 | 15% | 0.147 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 133.8 | -178.1 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | A448 | A448-S451 PolarHBondContact N-OG 3.07Å; A448-S451 WeakPolarHBondContact O-CB 3.28Å; A448-S451 PolarHBondContact O-N 2.92Å; A448-S451 PolarHBondContact O-OG 2.93Å |
| 452 | E | 93.9 | Very high | 84 | Confident | 110 Ų | 110 | 79.5 Ų | 79.5 | 51% | 0.514 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 128.1 | 175.9 | -173.2 | -170.4 | 140.6 | 0 | 0 | 110 | F423 K424 V454 | F423-E452 CarbonylContact C-O 3.47Å; F423-E452 VanDerWaalsContact CA-O 3.27Å; F423-E452 WeakPolarHBondContact CA-O 3.09Å; K424-E452 WeakPolarHBondContact CE-OE1 3.17Å; K424-E452 WeakPolarHBondContact CE-OE2 3.42Å; K424-E452 HydrophobicContact CG-CB 4.13Å; K424-E452 PolarHBondContact N-O 2.8Å; K424-E452 VanDerWaalsContact NZ-CD 3.32Å; K424-E452 IonicContact NZ-OE1 3.54Å; K424-E452 PolarHBondContact NZ-OE1 3.22Å; K424-E452 IonicContact NZ-OE2 3.46Å; K424-E452 PolarHBondContact NZ-OE2 3.19Å; K424-E452 PolarHBondContact O-N 3.11Å; E452-V454 PolarHBondContact O-N 3.4Å |
| 453 | L | 95.7 | Very high | 82.9 | Confident | 94 Ų | 94 | 82.4 Ų | 82.4 | 49% | 0.492 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 118.8 | 171.7 | 179.8 | 68.8 | 0 | 0 | 0 | 109.8 | C421 F423 F455 C456 | C421-L453 HydrophobicContact CB-CD1 4.04Å; F423-L453 HydrophobicContact CD1-CB 4.09Å; F423-L453 HydrophobicContact CD1-CD1 4.07Å; F423-L453 HydrophobicContact CE1-CB 3.88Å; F423-L453 HydrophobicContact CE1-CD1 3.56Å; F423-L453 HydrophobicContact CE1-CG 4.31Å; F423-L453 HydrophobicContact CE2-CD1 4.09Å; F423-L453 HydrophobicContact CZ-CD1 3.57Å; L453-F455 WeakPolarHBondContact CD1-O 3.44Å; L453-C456 HydrophobicContact CD1-CB 4.35Å |
| 454 | V | 94.7 | Very high | 81.4 | Confident | 36 Ų | 36 | 81.6 Ų | 81.6 | 22% | 0.218 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -47.3 | 178.2 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | L422 K424 E452 V476 | L422-V454 HydrophobicContact CB-CB 4.38Å; L422-V454 HydrophobicContact CD2-CB 4.05Å; L422-V454 HydrophobicContact CD2-CG1 4Å; L422-V454 HydrophobicContact CD2-CG2 4.47Å; L422-V454 HydrophobicContact CG-CB 4.11Å; L422-V454 HydrophobicContact CG-CG2 4.38Å; L422-V454 WeakPolarHBondContact O-CB 3.31Å; L422-V454 PolarHBondContact O-N 3.42Å; K424-V454 HydrophobicContact CB-CG2 3.66Å; K424-V454 HydrophobicContact CD-CG2 3.64Å; K424-V454 HydrophobicContact CG-CG2 3.5Å; E452-V454 PolarHBondContact O-N 3.4Å; V454-V476 HydrophobicContact CG1-CB 4.47Å; V454-V476 HydrophobicContact CG1-CG1 3.93Å; V454-V476 HydrophobicContact CG1-CG2 3.92Å; V454-V476 HydrophobicContact CG2-CG1 4.34Å |
| 455 | F | 92.5 | Very high | 79.7 | Confident | 26 Ų | 26 | 83.2 Ų | 83.2 | 11% | 0.114 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 156.5 | 174.1 | 83.9 | -95.3 | 0 | 0 | 0 | 110 | W411 V420 C421 L422 L453 R457 R474 L489 | W411-F455 AromaticContact CH2-CE1 3.41Å; W411-F455 HydrophobicContact CH2-CE1 3.41Å; W411-F455 VanDerWaalsContact CH2-CE1 3.41Å; W411-F455 HydrophobicContact CH2-CE2 4.33Å; W411-F455 AromaticContact CH2-CZ 3.26Å; W411-F455 HydrophobicContact CH2-CZ 3.26Å; W411-F455 HydrophobicContact CZ2-CE1 4Å; W411-F455 HydrophobicContact CZ2-CE2 4.2Å; W411-F455 AromaticContact CZ2-CZ 3.34Å; W411-F455 HydrophobicContact CZ2-CZ 3.34Å; W411-F455 HydrophobicContact CZ3-CE1 4.15Å; W411-F455 HydrophobicContact CZ3-CZ 4.3Å; V420-F455 HydrophobicContact CG1-CE2 4.38Å; V420-F455 HydrophobicContact CG1-CZ 4.16Å; V420-F455 WeakPolarHBondContact O-CE2 3.38Å; C421-F455 CarbonylContact C-O 3.39Å; C421-F455 VanDerWaalsContact CA-O 3.32Å; C421-F455 WeakPolarHBondContact CA-O 3.45Å; L422-F455 HydrophobicContact CB-CD1 3.36Å; L422-F455 HydrophobicContact CB-CE1 3.12Å; L422-F455 HydrophobicContact CB-CG 4.28Å; L422-F455 HydrophobicContact CB-CZ 3.85Å; L422-F455 HydrophobicContact CD2-CD1 3.73Å; L422-F455 HydrophobicContact CD2-CE1 3.61Å; L422-F455 HydrophobicContact CG-CD1 4.16Å; L422-F455 HydrophobicContact CG-CE1 3.96Å; L422-F455 PolarHBondContact N-O 2.79Å; L422-F455 PolarHBondContact O-N 2.92Å; L453-F455 WeakPolarHBondContact CD1-O 3.44Å; F455-R457 HydrophobicContact CD2-CB 4.23Å; F455-R457 HydrophobicContact CE2-CB 4.24Å; F455-R474 HydrophobicContact CD1-CG 4Å; F455-R474 HydrophobicContact CE1-CB 4.45Å; F455-R474 HydrophobicContact CE1-CG 4.23Å; F455-L489 HydrophobicContact CE1-CD1 4.31Å; F455-L489 HydrophobicContact CZ-CD1 3.97Å |
| 456 | C | 94 | Very high | 78.4 | Confident | 64 Ų | 64 | 86.8 Ų | 86.8 | 43% | 0.432 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 136.1 | 158.9 | -163.7 | 0 | 0 | 0 | 0 | 110.3 | V420 C421 L453 | V420-C456 CarbonylContact O-C 3.6Å; V420-C456 VanDerWaalsContact O-CA 3.28Å; V420-C456 WeakPolarHBondContact O-CA 3.07Å; V420-C456 PolarHBondContact O-SG 2.86Å; C421-C456 HydrophobicContact CB-CB 3.71Å; C421-C456 WeakPolarHBondContact CB-SG 3.41Å; C421-C456 WeakPolarHBondContact SG-CB 3.27Å; C421-C456 CovalentContact SG-SG 2.05Å; C421-C456 PolarHBondContact SG-SG 2.89Å; L453-C456 HydrophobicContact CD1-CB 4.35Å |
| 457 | R | 92 | Very high | 77.1 | Confident | 151 Ų | 151 | 88.3 Ų | 88.3 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 135.3 | -178.4 | -178.7 | 170.8 | 178.4 | -174.4 | 1.1 | 110.3 | S419 V420 F455 F459 | S419-R457 CarbonylContact C-O 3.56Å; S419-R457 WeakPolarHBondContact CA-O 3.38Å; V420-R457 PolarHBondContact N-O 3.19Å; V420-R457 PolarHBondContact O-N 3.41Å; F455-R457 HydrophobicContact CD2-CB 4.23Å; F455-R457 HydrophobicContact CE2-CB 4.24Å; R457-F459 HydrophobicContact CB-CE2 3.93Å; R457-F459 HydrophobicContact CB-CZ 4.19Å; R457-F459 HydrophobicContact CG-CD2 4.38Å; R457-F459 HydrophobicContact CG-CE1 4.33Å; R457-F459 HydrophobicContact CG-CE2 3.9Å; R457-F459 HydrophobicContact CG-CZ 3.88Å |
| 458 | R | 89.9 | Confident | 76.2 | Confident | 141 Ų | 141 | 89.7 Ų | 89.7 | 53% | 0.532 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 130.5 | 169.2 | -167.5 | 170.9 | -174.2 | 155.5 | -1.1 | 109.5 | ||
| 459 | F | 83.9 | Confident | 75.8 | Confident | 12 Ų | 12 | 90.5 Ų | 90.5 | 5% | 0.053 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 133.1 | 174 | -65.4 | -87.6 | 0 | 0 | 0 | 108.7 | E413 A417 H418 V420 R457 I472 | E413-F459 HydrophobicContact CG-CD1 4.36Å; E413-F459 HydrophobicContact CG-CG 4.48Å; E413-F459 WeakPolarHBondContact OE1-CB 3.37Å; E413-F459 WeakPolarHBondContact OE1-CD1 3.36Å; E413-F459 WeakPolarHBondContact OE1-CG 3.45Å; A417-F459 WeakPolarHBondContact CA-O 3.39Å; H418-F459 PolarHBondContact N-O 2.84Å; H418-F459 PolarHBondContact O-N 2.98Å; V420-F459 HydrophobicContact CB-CD2 4.41Å; V420-F459 HydrophobicContact CB-CE2 3.99Å; V420-F459 HydrophobicContact CG2-CD2 3.99Å; V420-F459 HydrophobicContact CG2-CE2 3.9Å; R457-F459 HydrophobicContact CB-CE2 3.93Å; R457-F459 HydrophobicContact CB-CZ 4.19Å; R457-F459 HydrophobicContact CG-CD2 4.38Å; R457-F459 HydrophobicContact CG-CE1 4.33Å; R457-F459 HydrophobicContact CG-CE2 3.9Å; R457-F459 HydrophobicContact CG-CZ 3.88Å; F459-I472 HydrophobicContact CD1-CD1 4.41Å; F459-I472 HydrophobicContact CE1-CD1 3.61Å; F459-I472 HydrophobicContact CE1-CG1 4.35Å; F459-I472 HydrophobicContact CE2-CD1 4.01Å; F459-I472 HydrophobicContact CZ-CD1 3.38Å; F459-I472 HydrophobicContact CZ-CG1 4.33Å |
| 460 | H | 80.2 | Confident | 75.9 | Confident | 140 Ų | 140 | 88.6 Ų | 88.6 | 65% | 0.648 | 50% | 0.504 | S | S | * | . | trans | -94.6 | 153.3 | 175.3 | -66.4 | -81.5 | 0 | 0 | 0 | 108.9 | H462 | H460-H462 PolarHBondContact O-N 2.79Š| ||
| 461 | H | 68.2 | Low | 76.2 | Confident | 109 Ų | 109 | 88.4 Ų | 88.4 | 51% | 0.505 | 50% | 0.501 | S | S | . | . | trans | -51.3 | 122.2 | 178.5 | -179.6 | -86.3 | 0 | 0 | 0 | 110.7 | S463 | H461-S463 PolarHBondContact ND1-OG 3.38Å; H461-S463 VanDerWaalsContact ND1-OG 3.15Å; H461-S463 PolarHBondContact O-N 2.95Å | ||
| 462 | H | 62.3 | Low | 76.2 | Confident | 128 Ų | 128 | 88.4 Ų | 88.4 | 59% | 0.593 | 50% | 0.499 | S | S | * | . | trans | -74.6 | 95.2 | 172.4 | -99.5 | 89.2 | 0 | 0 | 0 | 108.6 | E413 H460 G464 | E413-H462 IonicContact OE1-ND1 3.08Å; H460-H462 PolarHBondContact O-N 2.79Å; H462-G464 PolarHBondContact O-N 2.78Å; H462-G464 VanDerWaalsContact O-N 3.11Å | ||
| 463 | S | 50.5 | Low | 76.2 | Confident | 112 Ų | 112 | 86.7 Ų | 86.7 | 78% | 0.783 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | 11.6 | 176 | -71.4 | 0 | 0 | 0 | 0 | 114.5 | H461 | H461-S463 PolarHBondContact ND1-OG 3.38Å; H461-S463 VanDerWaalsContact ND1-OG 3.15Å; H461-S463 PolarHBondContact O-N 2.95Å |
| 464 | G | 47.5 | Very low | 76.1 | Confident | 73 Ų | 73 | 88.2 Ų | 88.2 | 75% | 0.753 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.8 | 3.4 | -156.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | H462 | H462-G464 PolarHBondContact O-N 2.78Å; H462-G464 VanDerWaalsContact O-N 3.11Å |
| 465 | G | 50.3 | Low | 76.1 | Confident | 62 Ų | 62 | 90.8 Ų | 90.8 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -170.2 | 131.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G467 | G465-G467 PolarHBondContact O-N 2.93Š|
| 466 | E | 49.3 | Very low | 76.3 | Confident | 201 Ų | 201 | 89.8 Ų | 89.8 | 94% | 0.939 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -50.6 | 112.5 | 172.9 | -71.8 | 177.7 | 139.9 | 0 | 0 | 110.7 | A468 | E466-A468 VanDerWaalsContact C-N 3.26Å; E466-A468 PolarHBondContact O-N 3.36Å |
| 467 | G | 55.1 | Low | 76.4 | Confident | 71 Ų | 71 | 92.2 Ų | 92.2 | 73% | 0.732 | 51% | 0.507 | S | S | * | . | S | Bend | trans | 66.3 | -2.4 | 150.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | G465 E469 | G465-G467 PolarHBondContact O-N 2.93Å; G467-E469 PolarHBondContact O-N 3.17Å |
| 468 | A | 64.9 | Low | 76.5 | Confident | 83 Ų | 83 | 88.1 Ų | 88.1 | 69% | 0.686 | 51% | 0.512 | S | S | * | . | trans | -80.1 | 102.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E466 V470 | E466-A468 VanDerWaalsContact C-N 3.26Å; E466-A468 PolarHBondContact O-N 3.36Å; A468-V470 PolarHBondContact O-N 2.96Å | ||
| 469 | E | 71.4 | Confident | 76.8 | Confident | 53 Ų | 53 | 81.7 Ų | 81.7 | 25% | 0.248 | 49% | 0.488 | C | S | . | . | trans | -62.8 | 126 | 167.8 | -66.6 | -174.6 | 178.4 | 0 | 0 | 109.9 | P390 F391 L412 G467 | P390-E469 VanDerWaalsContact CA-OE1 3.22Å; P390-E469 WeakPolarHBondContact CA-OE1 3.15Å; P390-E469 VanDerWaalsContact CB-OE2 3.27Å; P390-E469 WeakPolarHBondContact CB-OE2 3.29Å; F391-E469 WeakPolarHBondContact CD1-OE1 3.48Å; F391-E469 WeakPolarHBondContact CD1-OE2 3.27Å; F391-E469 WeakPolarHBondContact CE1-OE2 3.32Å; F391-E469 PolarHBondContact N-OE1 3.44Å; L412-E469 VanDerWaalsContact CD1-OE2 3.25Å; L412-E469 WeakPolarHBondContact CD1-OE2 3.27Å; G467-E469 PolarHBondContact O-N 3.17Å | ||
| 470 | V | 84.1 | Confident | 77.3 | Confident | 76 Ų | 76 | 88.5 Ų | 88.5 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | trans | -94 | 131.3 | -178.7 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | E413 A468 I472 | E413-V470 WeakPolarHBondContact CB-O 3.25Å; E413-V470 PolarHBondContact N-O 2.8Å; A468-V470 PolarHBondContact O-N 2.96Å; V470-I472 PolarHBondContact O-N 2.8Å | ||
| 471 | M | 89.7 | Confident | 78.1 | Confident | 93 Ų | 93 | 84.1 Ų | 84.1 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 112 | 170.6 | -172.9 | 174.9 | 71.2 | 0 | 0 | 110.1 | L398 W411 L412 T473 | L398-M471 HydrophobicContact CD1-CE 4.5Å; L398-M471 HydrophobicContact CD2-CE 4.17Å; L398-M471 HydrophobicContact CD2-SD 4.13Å; W411-M471 CarbonylContact O-C 3.58Å; W411-M471 WeakPolarHBondContact O-CA 3.4Å; L412-M471 HydrophobicContact CD2-CB 4.12Å; M471-T473 HydrophobicContact CE-CG2 3.9Å; M471-T473 HydrophobicContact CG-CG2 4.35Å |
| 472 | I | 90.6 | Very high | 79.1 | Confident | 22 Ų | 22 | 81.3 Ų | 81.3 | 11% | 0.113 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 138.2 | 170.4 | -60 | 160.4 | 0 | 0 | 0 | 108.1 | G410 W411 E413 F459 V470 | G410-I472 CarbonylContact C-O 3.5Å; G410-I472 WeakPolarHBondContact CA-O 3.48Å; W411-I472 HydrophobicContact CD2-CB 4.23Å; W411-I472 HydrophobicContact CH2-CB 4.31Å; W411-I472 HydrophobicContact CH2-CG2 3.58Å; W411-I472 HydrophobicContact CZ2-CB 3.73Å; W411-I472 HydrophobicContact CZ2-CD1 4.24Å; W411-I472 HydrophobicContact CZ2-CG2 3.26Å; W411-I472 HydrophobicContact CZ3-CG2 4.35Å; W411-I472 PolarHBondContact N-O 3.21Å; W411-I472 PolarHBondContact O-N 3.03Å; E413-I472 HydrophobicContact CB-CD1 3.62Å; E413-I472 HydrophobicContact CB-CG1 4.12Å; E413-I472 HydrophobicContact CG-CD1 3.77Å; F459-I472 HydrophobicContact CD1-CD1 4.41Å; F459-I472 HydrophobicContact CE1-CD1 3.61Å; F459-I472 HydrophobicContact CE1-CG1 4.35Å; F459-I472 HydrophobicContact CE2-CD1 4.01Å; F459-I472 HydrophobicContact CZ-CD1 3.38Å; F459-I472 HydrophobicContact CZ-CG1 4.33Å; V470-I472 PolarHBondContact O-N 2.8Å |
| 473 | T | 92.9 | Very high | 80.6 | Confident | 73 Ų | 73 | 76.5 Ų | 76.5 | 45% | 0.448 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145.2 | 176.4 | 66.9 | 0 | 0 | 0 | 0 | 111.3 | L398 L409 M471 | L398-T473 HydrophobicContact CD1-CG2 3.59Å; L409-T473 CarbonylContact O-C 3.56Å; L409-T473 VanDerWaalsContact O-CA 3.29Å; L409-T473 WeakPolarHBondContact O-CA 3.38Å; M471-T473 HydrophobicContact CE-CG2 3.9Å; M471-T473 HydrophobicContact CG-CG2 4.35Å |
| 474 | R | 94.3 | Very high | 82.5 | Confident | 126 Ų | 126 | 72.1 Ų | 72.1 | 48% | 0.475 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 130.2 | 177.6 | -169.3 | 68.1 | 179.8 | -176.7 | -0.2 | 111.4 | R408 L409 W411 F455 | R408-R474 CarbonylContact C-O 3.58Å; R408-R474 WeakPolarHBondContact CA-O 3.05Å; L409-R474 PolarHBondContact N-O 3.38Å; L409-R474 PolarHBondContact O-N 3.39Å; W411-R474 HydrophobicContact CH2-CB 3.89Å; W411-R474 HydrophobicContact CZ3-CB 3.84Å; F455-R474 HydrophobicContact CD1-CG 4Å; F455-R474 HydrophobicContact CE1-CB 4.45Å; F455-R474 HydrophobicContact CE1-CG 4.23Å |
| 475 | E | 95.6 | Very high | 84.6 | Confident | 91 Ų | 91 | 69.4 Ų | 69.4 | 43% | 0.425 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 125.4 | 168.8 | -165.5 | 173.7 | -170.6 | 0 | 0 | 110.6 | S406 R408 M477 | S406-E475 VanDerWaalsContact CB-OE1 3.29Å; S406-E475 WeakPolarHBondContact CB-OE1 3.29Å; S406-E475 PolarHBondContact OG-OE1 2.81Å; R408-E475 HydrophobicContact CB-CG 4.43Å; R408-E475 HydrophobicContact CG-CB 4.46Å; E475-M477 HydrophobicContact CG-CG 4.47Å; E475-M477 HydrophobicContact CG-SD 3.58Å; E475-M477 VanDerWaalsContact CG-SD 3.58Å; E475-M477 VanDerWaalsContact OE1-SD 3.34Å |
| 476 | V | 96.8 | Very high | 86.6 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.024 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 113.1 | 173.2 | -171.2 | 0 | 0 | 0 | 0 | 108.4 | S406 V407 L409 L422 K424 V454 L479 F487 | S406-V476 WeakPolarHBondContact CA-O 2.99Å; S406-V476 WeakPolarHBondContact CB-O 3.4Å; V407-V476 HydrophobicContact CG1-CB 4.14Å; V407-V476 HydrophobicContact CG1-CG2 4.45Å; V407-V476 PolarHBondContact N-O 2.99Å; V407-V476 PolarHBondContact O-N 2.99Å; L409-V476 HydrophobicContact CD1-CG2 4.21Å; L422-V476 HydrophobicContact CD2-CG2 3.94Å; K424-V476 HydrophobicContact CD-CG1 4.02Å; V454-V476 HydrophobicContact CG1-CB 4.47Å; V454-V476 HydrophobicContact CG1-CG1 3.93Å; V454-V476 HydrophobicContact CG1-CG2 3.92Å; V454-V476 HydrophobicContact CG2-CG1 4.34Å; V476-L479 HydrophobicContact CG1-CD2 4.32Å; V476-F487 HydrophobicContact CB-CE1 4.22Å; V476-F487 HydrophobicContact CG1-CE1 4.05Å; V476-F487 HydrophobicContact CG2-CE1 4.03Å |
| 477 | M | 95.6 | Very high | 88.7 | Confident | 116 Ų | 116 | 58.3 Ų | 58.3 | 57% | 0.571 | 34% | 0.338 | S | S | * | . | trans | -95.8 | 171.1 | -178.3 | -56.9 | -60.5 | -79.3 | 0 | 0 | 111.8 | S406 E475 | S406-M477 WeakPolarHBondContact CB-SD 3.48Å; E475-M477 HydrophobicContact CG-CG 4.47Å; E475-M477 HydrophobicContact CG-SD 3.58Å; E475-M477 VanDerWaalsContact CG-SD 3.58Å; E475-M477 VanDerWaalsContact OE1-SD 3.34Å | ||
| 478 | G | 94.1 | Very high | 90.4 | Very high | 65 Ų | 65 | 55.1 Ų | 55.1 | 67% | 0.67 | 30% | 0.304 | S | S | * | . | trans | 78.4 | 19.4 | 171 | 0 | 0 | 0 | 0 | 0 | 114.5 | R405 | R405-G478 PolarHBondContact O-N 3.01Å; R405-G478 VanDerWaalsContact O-N 3.08Å | ||
| 479 | L | 96 | Very high | 91.8 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 157.7 | 175.1 | -52.3 | -178.4 | 0 | 0 | 0 | 110.9 | R405 V407 K424 V476 Y485 F487 T508 | R405-L479 WeakPolarHBondContact CA-O 3.46Å; R405-L479 PolarHBondContact O-N 2.88Å; V407-L479 HydrophobicContact CB-CD1 4.2Å; V407-L479 HydrophobicContact CG1-CD1 3.85Å; K424-L479 HydrophobicContact CD-CD2 4.31Å; V476-L479 HydrophobicContact CG1-CD2 4.32Å; L479-Y485 HydrophobicContact CB-CD2 4.48Å; L479-Y485 HydrophobicContact CB-CE2 3.85Å; L479-Y485 HydrophobicContact CD1-CD2 4.32Å; L479-Y485 HydrophobicContact CD1-CE2 4.49Å; L479-Y485 HydrophobicContact CD2-CD1 4.04Å; L479-Y485 HydrophobicContact CD2-CD2 4.31Å; L479-Y485 HydrophobicContact CD2-CE1 3.85Å; L479-Y485 HydrophobicContact CD2-CE2 4.14Å; L479-Y485 HydrophobicContact CD2-CG 4.26Å; L479-Y485 HydrophobicContact CG-CE2 4.38Å; L479-F487 HydrophobicContact CD1-CZ 4.21Å; L479-T508 HydrophobicContact CB-CG2 3.77Å; L479-T508 HydrophobicContact CD1-CG2 3.84Å; L479-T508 HydrophobicContact CG-CG2 4.48Å |
| 480 | R | 94.8 | Very high | 92.9 | Very high | 156 Ų | 156 | 49.7 Ų | 49.7 | 59% | 0.589 | 26% | 0.263 | S | S | * | . | P | Polyproline II helix | trans | -93.6 | 143.5 | 176.1 | -65.2 | -174.1 | -179.3 | -176.1 | 0.8 | 110.5 | C404 Y485 T508 | C404-R480 CarbonylContact O-C 3.47Å; R480-Y485 PolarHBondContact N-OH 2.78Å; R480-T508 WeakPolarHBondContact O-CB 3.41Å; R480-T508 PolarHBondContact O-OG1 2.71Å |
| 481 | P | 95.2 | Very high | 93.3 | Very high | 48 Ų | 48 | 46.1 Ų | 46.1 | 31% | 0.312 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 152.9 | 175.5 | -23.1 | 33.1 | 0 | 0 | 0 | 113 | C404 N483 K509 | C404-P481 HydrophobicContact CB-CB 4.23Å; C404-P481 HydrophobicContact CB-CG 4.13Å; C404-P481 VanDerWaalsContact O-CA 3.28Å; C404-P481 WeakPolarHBondContact O-CA 3.12Å; P481-N483 PolarHBondContact O-N 3.14Å; P481-N483 VanDerWaalsContact O-N 3.15Å; P481-N483 PolarHBondContact O-ND2 2.66Å; P481-K509 WeakPolarHBondContact CA-O 3.38Å; P481-K509 WeakPolarHBondContact CB-O 3.46Å |
| 482 | A | 91.1 | Very high | 93.5 | Very high | 49 Ų | 49 | 42.9 Ų | 42.9 | 41% | 0.405 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 26.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | T508 K509 Q510 | A482-T508 PolarHBondContact N-OG1 3.47Å; A482-T508 VanDerWaalsContact N-OG1 3.13Å; A482-K509 PolarHBondContact N-O 3.23Å; A482-Q510 HydrophobicContact CB-CB 4.46Å; A482-Q510 HydrophobicContact CB-CG 4.36Å |
| 483 | N | 91.9 | Very high | 93.6 | Very high | 28 Ų | 28 | 44.4 Ų | 44.4 | 15% | 0.15 | 23% | 0.234 | C | C | . | . | trans | -116.5 | 144.7 | -177.9 | -80.9 | -79.6 | 0 | 0 | 0 | 111.9 | R426 P481 Y485 K507 T508 | R426-N483 PolarHBondContact NE-OD1 3.32Å; R426-N483 PolarHBondContact NH2-OD1 2.93Å; P481-N483 PolarHBondContact O-N 3.14Å; P481-N483 VanDerWaalsContact O-N 3.15Å; P481-N483 PolarHBondContact O-ND2 2.66Å; N483-Y485 HydrophobicContact CB-CD2 4.35Å; N483-Y485 HydrophobicContact CB-CE2 3.65Å; N483-K507 CarbonylContact O-C 3.48Å; N483-K507 WeakPolarHBondContact O-CA 2.87Å; N483-T508 PolarHBondContact N-OG1 2.8Å; N483-T508 PolarHBondContact O-N 3.38Å; N483-T508 PolarHBondContact O-OG1 2.89Å | ||
| 484 | T | 91.5 | Very high | 93.3 | Very high | 19 Ų | 19 | 43 Ų | 43 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 131.7 | 174.2 | -54.9 | 0 | 0 | 0 | 0 | 109.7 | E427 V506 | E427-T484 HydrophobicContact CB-CG2 4.19Å; E427-T484 HydrophobicContact CG-CG2 4.48Å; E427-T484 PolarHBondContact N-O 2.91Å; T484-V506 CarbonylContact C-O 3.07Å; T484-V506 WeakPolarHBondContact CA-O 3.45Å |
| 485 | Y | 92.2 | Very high | 92.9 | Very high | 17 Ų | 17 | 45.6 Ų | 45.6 | 7% | 0.067 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 142.9 | 175.7 | -69.1 | -89.9 | 0 | 0 | 0 | 109.3 | R425 R426 L479 R480 N483 W505 V506 T508 | R425-Y485 CarbonylContact O-C 3.58Å; R425-Y485 VanDerWaalsContact O-CA 3.29Å; R425-Y485 WeakPolarHBondContact O-CA 3.22Å; R426-Y485 HydrophobicContact CB-CD1 4.16Å; R426-Y485 HydrophobicContact CB-CE1 3.92Å; R426-Y485 HydrophobicContact CG-CE1 4.27Å; L479-Y485 HydrophobicContact CB-CD2 4.48Å; L479-Y485 HydrophobicContact CB-CE2 3.85Å; L479-Y485 HydrophobicContact CD1-CD2 4.32Å; L479-Y485 HydrophobicContact CD1-CE2 4.49Å; L479-Y485 HydrophobicContact CD2-CD1 4.04Å; L479-Y485 HydrophobicContact CD2-CD2 4.31Å; L479-Y485 HydrophobicContact CD2-CE1 3.85Å; L479-Y485 HydrophobicContact CD2-CE2 4.14Å; L479-Y485 HydrophobicContact CD2-CG 4.26Å; L479-Y485 HydrophobicContact CG-CE2 4.38Å; R480-Y485 PolarHBondContact N-OH 2.78Å; N483-Y485 HydrophobicContact CB-CD2 4.35Å; N483-Y485 HydrophobicContact CB-CE2 3.65Å; Y485-W505 CarbonylContact O-C 3.56Å; Y485-W505 WeakPolarHBondContact O-CA 3.46Å; Y485-V506 PolarHBondContact N-O 2.87Å; Y485-V506 PolarHBondContact O-N 3.17Å; Y485-T508 HydrophobicContact CD2-CG2 4.05Å; Y485-T508 HydrophobicContact CE2-CG2 3.97Å |
| 486 | R | 90.8 | Very high | 92.7 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 136.4 | 168.7 | 173.6 | 174.5 | 156.3 | 163.3 | 17.1 | 108.9 | K424 R425 E427 D488 T503 | K424-R486 CarbonylContact C-O 3.57Å; K424-R486 WeakPolarHBondContact CA-O 3.48Å; R425-R486 HydrophobicContact CG-CB 3.94Å; R425-R486 HydrophobicContact CG-CG 4.49Å; R425-R486 PolarHBondContact N-O 3.38Å; R425-R486 PolarHBondContact O-N 3.41Å; E427-R486 HydrophobicContact CG-CB 3.98Å; E427-R486 VanDerWaalsContact OE1-CB 3.29Å; E427-R486 WeakPolarHBondContact OE1-CB 3.28Å; E427-R486 WeakPolarHBondContact OE1-CD 3.18Å; R486-D488 IonicContact CZ-OD1 3.64Å; R486-D488 IonicContact CZ-OD2 2.96Å; R486-D488 IonicContact NE-OD1 2.95Å; R486-D488 PolarHBondContact NE-OD1 2.99Å; R486-D488 VanDerWaalsContact NE-OD1 3.09Å; R486-D488 IonicContact NE-OD2 2.7Å; R486-D488 PolarHBondContact NE-OD2 2.84Å; R486-D488 IonicContact NH2-OD1 3.89Å; R486-D488 PolarHBondContact NH2-OD1 2.79Å; R486-D488 IonicContact NH2-OD2 3.6Å; R486-T503 HydrophobicContact CG-CG2 3.48Å; R486-T503 VanDerWaalsContact CG-CG2 3.48Å |
| 487 | F | 93.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 128.5 | 176.3 | -63.5 | -85.6 | 0 | 0 | 0 | 110 | L395 V407 L409 L422 F423 K424 V476 L479 V504 V506 | L395-F487 HydrophobicContact CD2-CB 3.92Å; V407-F487 HydrophobicContact CG1-CE1 4.22Å; V407-F487 HydrophobicContact CG1-CE2 3.71Å; V407-F487 HydrophobicContact CG1-CZ 3.47Å; V407-F487 VanDerWaalsContact CG1-CZ 3.47Å; L409-F487 HydrophobicContact CD1-CB 4.02Å; L409-F487 HydrophobicContact CD1-CD1 3.78Å; L409-F487 HydrophobicContact CD1-CD2 4.27Å; L409-F487 HydrophobicContact CD1-CE1 4.31Å; L409-F487 HydrophobicContact CD1-CG 3.76Å; L422-F487 HydrophobicContact CD1-CB 4.21Å; L422-F487 HydrophobicContact CD1-CD1 4.45Å; F423-F487 WeakPolarHBondContact O-CA 3.49Å; K424-F487 HydrophobicContact CB-CD1 3.61Å; K424-F487 HydrophobicContact CB-CE1 3.43Å; K424-F487 VanDerWaalsContact CB-CE1 3.43Å; K424-F487 HydrophobicContact CB-CZ 4.32Å; V476-F487 HydrophobicContact CB-CE1 4.22Å; V476-F487 HydrophobicContact CG1-CE1 4.05Å; V476-F487 HydrophobicContact CG2-CE1 4.03Å; L479-F487 HydrophobicContact CD1-CZ 4.21Å; F487-V504 HydrophobicContact CB-CG1 3.92Å; F487-V504 HydrophobicContact CD2-CG1 4.34Å; F487-V504 PolarHBondContact N-O 3.02Å; F487-V504 PolarHBondContact O-N 2.81Å; F487-V504 VanDerWaalsContact O-N 3.12Å; F487-V506 HydrophobicContact CD2-CG2 4Å; F487-V506 HydrophobicContact CE2-CB 4.17Å; F487-V506 HydrophobicContact CE2-CG2 4.01Å |
| 488 | D | 92.5 | Very high | 92.4 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.7 | 179.1 | -61.4 | -73.1 | 0 | 0 | 0 | 108.8 | F423 R486 Y490 T503 | F423-D488 PolarHBondContact N-O 2.99Å; F423-D488 PolarHBondContact O-N 2.9Å; F423-D488 VanDerWaalsContact O-N 3.1Å; R486-D488 IonicContact CZ-OD1 3.64Å; R486-D488 IonicContact CZ-OD2 2.96Å; R486-D488 IonicContact NE-OD1 2.95Å; R486-D488 PolarHBondContact NE-OD1 2.99Å; R486-D488 VanDerWaalsContact NE-OD1 3.09Å; R486-D488 IonicContact NE-OD2 2.7Å; R486-D488 PolarHBondContact NE-OD2 2.84Å; R486-D488 IonicContact NH2-OD1 3.89Å; R486-D488 PolarHBondContact NH2-OD1 2.79Å; R486-D488 IonicContact NH2-OD2 3.6Å; D488-Y490 HydrophobicContact CB-CD2 4.45Å; D488-Y490 HydrophobicContact CB-CE2 3.65Å; D488-T503 WeakPolarHBondContact OD1-CB 3.13Å; D488-T503 WeakPolarHBondContact OD1-CG2 3.46Å; D488-T503 PolarHBondContact OD1-OG1 3.47Å |
| 489 | L | 93.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 131.1 | -179.5 | -174.2 | 80.7 | 0 | 0 | 0 | 108.8 | L395 W411 V420 L422 F455 Y501 | L395-L489 HydrophobicContact CD1-CD2 4.32Å; L395-L489 HydrophobicContact CD2-CB 4.12Å; W411-L489 HydrophobicContact CB-CD2 3.89Å; W411-L489 HydrophobicContact CD2-CD1 4.49Å; W411-L489 HydrophobicContact CD2-CD2 3.56Å; W411-L489 HydrophobicContact CE3-CD2 4.22Å; W411-L489 HydrophobicContact CG-CD2 3.36Å; W411-L489 HydrophobicContact CZ2-CD1 4.45Å; V420-L489 HydrophobicContact CG1-CD1 3.27Å; V420-L489 HydrophobicContact CG1-CD2 3.98Å; V420-L489 HydrophobicContact CG1-CG 3.61Å; L422-L489 HydrophobicContact CB-CD1 3.72Å; L422-L489 HydrophobicContact CD1-CB 4.27Å; L422-L489 HydrophobicContact CD1-CD1 4Å; L422-L489 HydrophobicContact CG-CD1 4.44Å; F455-L489 HydrophobicContact CE1-CD1 4.31Å; F455-L489 HydrophobicContact CZ-CD1 3.97Å; L489-Y501 HydrophobicContact CB-CD2 4.42Å; L489-Y501 HydrophobicContact CB-CG 4.33Å; L489-Y501 HydrophobicContact CD2-CD1 3.91Å; L489-Y501 HydrophobicContact CD2-CD2 3.8Å; L489-Y501 HydrophobicContact CD2-CE1 4.19Å; L489-Y501 HydrophobicContact CD2-CE2 4.07Å; L489-Y501 HydrophobicContact CD2-CG 3.74Å; L489-Y501 HydrophobicContact CG-CD2 4.1Å; L489-Y501 HydrophobicContact CG-CG 4.31Å; L489-Y501 PolarHBondContact O-N 3.17Å |
| 490 | Y | 93.7 | Very high | 92.1 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 8% | 0.082 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 129.7 | -176.9 | -67.2 | -87.1 | 0 | 0 | 0 | 110.5 | V420 C421 F423 G446 P447 D488 T498 L499 P500 | V420-Y490 CarbonylContact C-O 3.57Å; V420-Y490 VanDerWaalsContact CA-O 3.28Å; V420-Y490 WeakPolarHBondContact CA-O 3.24Å; C421-Y490 PolarHBondContact N-O 3.19Å; C421-Y490 PolarHBondContact O-N 2.75Å; F423-Y490 AromaticContact CD2-CD2 3.74Å; F423-Y490 HydrophobicContact CD2-CD2 3.74Å; F423-Y490 HydrophobicContact CD2-CE2 4.04Å; F423-Y490 AromaticContact CE2-CD2 3.87Å; F423-Y490 HydrophobicContact CE2-CD2 3.87Å; F423-Y490 HydrophobicContact CE2-CE2 4.42Å; G446-Y490 PolarHBondContact O-OH 3.08Å; P447-Y490 HydrophobicContact CB-CE2 4.16Å; D488-Y490 HydrophobicContact CB-CD2 4.45Å; D488-Y490 HydrophobicContact CB-CE2 3.65Å; Y490-T498 HydrophobicContact CD1-CG2 3.84Å; Y490-T498 HydrophobicContact CG-CG2 4.11Å; Y490-L499 WeakPolarHBondContact CA-O 3.24Å; Y490-P500 HydrophobicContact CD1-CB 3.95Å; Y490-P500 HydrophobicContact CE1-CB 3.79Å |
| 491 | A | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 135.7 | 169 | 0 | 0 | 0 | 0 | 0 | 110.2 | P387 M389 S419 T498 L499 Y501 | P387-A491 HydrophobicContact CG-CB 4.17Å; M389-A491 HydrophobicContact CE-CB 4.44Å; M389-A491 HydrophobicContact SD-CB 3.99Å; S419-A491 CarbonylContact O-C 3.4Å; S419-A491 VanDerWaalsContact O-CA 3.31Å; S419-A491 WeakPolarHBondContact O-CA 3.46Å; A491-T498 CarbonylContact O-C 3.54Å; A491-T498 VanDerWaalsContact O-CA 3.25Å; A491-T498 WeakPolarHBondContact O-CA 3.42Å; A491-T498 WeakPolarHBondContact O-CG2 3.29Å; A491-L499 PolarHBondContact N-O 3.2Å; A491-L499 PolarHBondContact O-N 2.77Å; A491-Y501 HydrophobicContact CB-CE2 3.88Å |
| 492 | S | 93.3 | Very high | 91.7 | Very high | 25 Ų | 25 | 39.4 Ų | 39.4 | 18% | 0.175 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132.8 | -179.4 | -53.2 | 0 | 0 | 0 | 0 | 110.6 | H418 S419 E497 T498 | H418-S492 WeakPolarHBondContact CA-O 3.27Å; S419-S492 PolarHBondContact N-O 2.9Å; S419-S492 PolarHBondContact O-N 3.13Å; S492-E497 WeakPolarHBondContact CA-O 3.32Å; S492-T498 WeakPolarHBondContact OG-CG2 3.15Å; S492-T498 PolarHBondContact OG-OG1 3.08Å |
| 493 | K | 91.8 | Very high | 91.5 | Very high | 54 Ų | 54 | 39 Ų | 39 | 24% | 0.235 | 21% | 0.205 | C | C | . | . | trans | -74.1 | 140.4 | 169 | -175.4 | 173.1 | 177.6 | 172.4 | 0 | 109.2 | Y384 P387 N495 G496 E497 | Y384-K493 PolarHBondContact O-NZ 3Å; P387-K493 HydrophobicContact CB-CB 4.2Å; K493-N495 PolarHBondContact O-N 2.93Å; K493-G496 PolarHBondContact O-N 3.24Å; K493-E497 PolarHBondContact N-O 3.33Å | ||
| 494 | P | 87.7 | Confident | 91.5 | Very high | 43 Ų | 43 | 38.8 Ų | 38.8 | 28% | 0.279 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 123.4 | 171.7 | -25.9 | 35.4 | 0 | 0 | 0 | 111 | A417 G496 | A417-P494 WeakPolarHBondContact O-CD 3.26Å; P494-G496 PolarHBondContact O-N 3.1Å |
| 495 | N | 86.2 | Confident | 91.4 | Very high | 182 Ų | 182 | 41.6 Ų | 41.6 | 97% | 0.973 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 24.6 | -176 | -51.6 | -25.9 | 0 | 0 | 0 | 114.4 | K493 | K493-N495 PolarHBondContact O-N 2.93Š|
| 496 | G | 91.1 | Very high | 91.3 | Very high | 33 Ų | 33 | 41.1 Ų | 41.1 | 34% | 0.34 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -128.4 | -156.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P385 K493 P494 | P385-G496 WeakPolarHBondContact O-CA 3.33Å; K493-G496 PolarHBondContact O-N 3.24Å; P494-G496 PolarHBondContact O-N 3.1Å |
| 497 | E | 92.7 | Very high | 91.4 | Very high | 49 Ų | 49 | 45.5 Ų | 45.5 | 23% | 0.229 | 23% | 0.233 | C | C | . | . | trans | -87.8 | 165.9 | -176.8 | -72.2 | -66.9 | 135 | 0 | 0 | 112.7 | L290 K374 P385 Y386 P387 S492 K493 | L290-E497 HydrophobicContact CD2-CG 3.43Å; L290-E497 VanDerWaalsContact CD2-CG 3.43Å; L290-E497 WeakPolarHBondContact CD2-OE1 3.26Å; K374-E497 IonicContact NZ-OE2 3.56Å; K374-E497 PolarHBondContact NZ-OE2 3.39Å; P385-E497 HydrophobicContact CB-CG 4.12Å; P385-E497 PolarHBondContact O-N 3.39Å; Y386-E497 HydrophobicContact CD1-CB 3.37Å; Y386-E497 HydrophobicContact CD1-CG 4.18Å; Y386-E497 HydrophobicContact CE1-CB 3.37Å; Y386-E497 HydrophobicContact CE1-CG 3.77Å; Y386-E497 HydrophobicContact CG-CB 4.23Å; P387-E497 WeakPolarHBondContact CD-O 3.2Å; S492-E497 WeakPolarHBondContact CA-O 3.32Å; K493-E497 PolarHBondContact N-O 3.33Å | ||
| 498 | T | 92.6 | Very high | 91.4 | Very high | 56 Ų | 56 | 45.7 Ų | 45.7 | 34% | 0.344 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 138 | 177.5 | -57.7 | 0 | 0 | 0 | 0 | 110 | Y490 A491 S492 | Y490-T498 HydrophobicContact CD1-CG2 3.84Å; Y490-T498 HydrophobicContact CG-CG2 4.11Å; A491-T498 CarbonylContact O-C 3.54Å; A491-T498 VanDerWaalsContact O-CA 3.25Å; A491-T498 WeakPolarHBondContact O-CA 3.42Å; A491-T498 WeakPolarHBondContact O-CG2 3.29Å; S492-T498 WeakPolarHBondContact OG-CG2 3.15Å; S492-T498 PolarHBondContact OG-OG1 3.08Å |
| 499 | L | 92.8 | Very high | 91.4 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 138.6 | 172.7 | -67.4 | 176.8 | 0 | 0 | 0 | 110.8 | Y321 L346 Y386 P387 M389 Y490 A491 | Y321-L499 HydrophobicContact CD1-CD2 4.26Å; Y321-L499 HydrophobicContact CE1-CD2 3.87Å; L346-L499 HydrophobicContact CD2-CD1 3.49Å; L346-L499 VanDerWaalsContact CD2-CD1 3.49Å; L346-L499 HydrophobicContact CD2-CD2 3.89Å; L346-L499 HydrophobicContact CD2-CG 4.34Å; Y386-L499 HydrophobicContact CD1-CD1 4.14Å; Y386-L499 HydrophobicContact CD1-CD2 3.52Å; Y386-L499 HydrophobicContact CD1-CG 3.73Å; Y386-L499 HydrophobicContact CE1-CD2 3.84Å; Y386-L499 HydrophobicContact CE1-CG 4.5Å; Y386-L499 HydrophobicContact CG-CD1 4.35Å; Y386-L499 HydrophobicContact CG-CD2 4.37Å; Y386-L499 HydrophobicContact CG-CG 4.43Å; P387-L499 HydrophobicContact CG-CB 4.41Å; P387-L499 HydrophobicContact CG-CD1 4.16Å; P387-L499 HydrophobicContact CG-CG 4.31Å; M389-L499 HydrophobicContact CE-CB 4.31Å; M389-L499 HydrophobicContact CG-CD1 3.7Å; M389-L499 HydrophobicContact SD-CB 3.94Å; M389-L499 HydrophobicContact SD-CD1 3.96Å; Y490-L499 WeakPolarHBondContact CA-O 3.24Å; A491-L499 PolarHBondContact N-O 3.2Å; A491-L499 PolarHBondContact O-N 2.77Å |
| 500 | P | 91.6 | Very high | 91.4 | Very high | 41 Ų | 41 | 56.6 Ų | 56.6 | 27% | 0.266 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 146.3 | 173.1 | 32.4 | -33.3 | 0 | 0 | 0 | 111.6 | Y321 Y490 | Y321-P500 VanDerWaalsContact OH-CD 3.26Å; Y321-P500 WeakPolarHBondContact OH-CD 3.29Å; Y490-P500 HydrophobicContact CD1-CB 3.95Å; Y490-P500 HydrophobicContact CE1-CB 3.79Å |
| 501 | Y | 91.9 | Very high | 91.4 | Very high | 6 Ų | 6 | 62.6 Ų | 62.6 | 2% | 0.024 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 169.6 | 155.2 | -78.4 | -116 | 0 | 0 | 0 | 109.2 | M389 P390 T393 W411 L412 L489 A491 T503 | M389-Y501 HydrophobicContact CE-CD2 3.71Å; M389-Y501 HydrophobicContact CE-CE2 3.53Å; M389-Y501 HydrophobicContact CE-CG 4.36Å; P390-Y501 HydrophobicContact CG-CE1 3.97Å; T393-Y501 WeakPolarHBondContact O-CA 3.43Å; T393-Y501 VanDerWaalsContact O-CB 3.26Å; T393-Y501 WeakPolarHBondContact O-CB 3.25Å; T393-Y501 WeakPolarHBondContact O-CD1 3.38Å; W411-Y501 HydrophobicContact CB-CD1 4.29Å; W411-Y501 HydrophobicContact CB-CE1 4.11Å; W411-Y501 HydrophobicContact CG-CE1 4.42Å; L412-Y501 PolarHBondContact O-OH 2.97Å; L489-Y501 HydrophobicContact CB-CD2 4.42Å; L489-Y501 HydrophobicContact CB-CG 4.33Å; L489-Y501 HydrophobicContact CD2-CD1 3.91Å; L489-Y501 HydrophobicContact CD2-CD2 3.8Å; L489-Y501 HydrophobicContact CD2-CE1 4.19Å; L489-Y501 HydrophobicContact CD2-CE2 4.07Å; L489-Y501 HydrophobicContact CD2-CG 3.74Å; L489-Y501 HydrophobicContact CG-CD2 4.1Å; L489-Y501 HydrophobicContact CG-CG 4.31Å; L489-Y501 PolarHBondContact O-N 3.17Å; A491-Y501 HydrophobicContact CB-CE2 3.88Å; Y501-T503 PolarHBondContact O-N 3.02Å |
| 502 | R | 89.2 | Confident | 91.1 | Very high | 161 Ų | 161 | 69 Ų | 69 | 61% | 0.608 | 35% | 0.353 | S | S | * | . | B | Isolated β-bridge | trans | -64.2 | 125.4 | 171.9 | -64.1 | -179.5 | 175 | 173.7 | -2.4 | 110 | T393 L395 | T393-R502 PolarHBondContact O-N 2.86Å; L395-R502 VanDerWaalsContact CB-O 3.29Å; L395-R502 WeakPolarHBondContact CB-O 3.39Å |
| 503 | T | 88.4 | Confident | 91 | Very high | 40 Ų | 40 | 71.3 Ų | 71.3 | 25% | 0.245 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 145.5 | 173.9 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | R486 D488 Y501 W505 | R486-T503 HydrophobicContact CG-CG2 3.48Å; R486-T503 VanDerWaalsContact CG-CG2 3.48Å; D488-T503 WeakPolarHBondContact OD1-CB 3.13Å; D488-T503 WeakPolarHBondContact OD1-CG2 3.46Å; D488-T503 PolarHBondContact OD1-OG1 3.47Å; Y501-T503 PolarHBondContact O-N 3.02Å; T503-W505 HydrophobicContact CG2-CD2 4.42Å; T503-W505 HydrophobicContact CG2-CH2 4.28Å; T503-W505 HydrophobicContact CG2-CZ2 3.98Å |
| 504 | V | 90.5 | Very high | 91 | Very high | 24 Ų | 24 | 72.2 Ų | 72.2 | 15% | 0.145 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 140.4 | 170.7 | 74.6 | 0 | 0 | 0 | 0 | 111.5 | L395 V397 L409 F487 V506 | L395-V504 HydrophobicContact CB-CB 4.42Å; L395-V504 HydrophobicContact CB-CG1 4.26Å; L395-V504 HydrophobicContact CD2-CG1 3.68Å; L395-V504 HydrophobicContact CG-CB 4.42Å; L395-V504 HydrophobicContact CG-CG1 3.73Å; L395-V504 WeakPolarHBondContact O-CB 3.41Å; V397-V504 HydrophobicContact CG2-CG2 3.97Å; L409-V504 HydrophobicContact CD2-CG1 4.08Å; F487-V504 HydrophobicContact CB-CG1 3.92Å; F487-V504 HydrophobicContact CD2-CG1 4.34Å; F487-V504 PolarHBondContact N-O 3.02Å; F487-V504 PolarHBondContact O-N 2.81Å; F487-V504 VanDerWaalsContact O-N 3.12Å; V504-V506 HydrophobicContact CG1-CG2 4.35Å; V504-V506 HydrophobicContact CG2-CG2 4.38Å |
| 505 | W | 89.4 | Confident | 91.1 | Very high | 78 Ų | 78 | 73.8 Ų | 73.8 | 30% | 0.295 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 137.4 | 173.1 | -60.7 | -92.8 | 0 | 0 | 0 | 110.4 | Y431 Y485 T503 | Y431-W505 HydrophobicContact CD2-CB 4.45Å; Y431-W505 HydrophobicContact CE2-CB 4.04Å; Y485-W505 CarbonylContact O-C 3.56Å; Y485-W505 WeakPolarHBondContact O-CA 3.46Å; T503-W505 HydrophobicContact CG2-CD2 4.42Å; T503-W505 HydrophobicContact CG2-CH2 4.28Å; T503-W505 HydrophobicContact CG2-CZ2 3.98Å |
| 506 | V | 91.2 | Very high | 91.4 | Very high | 8 Ų | 8 | 67.4 Ų | 67.4 | 5% | 0.048 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 122.9 | -176.6 | -168.1 | 0 | 0 | 0 | 0 | 110.1 | V397 R402 V407 T484 Y485 F487 V504 | V397-V506 HydrophobicContact CG2-CG1 4.4Å; V397-V506 HydrophobicContact CG2-CG2 3.37Å; R402-V506 HydrophobicContact CG-CG1 4.27Å; V407-V506 HydrophobicContact CB-CG1 4.43Å; V407-V506 HydrophobicContact CG2-CB 4.48Å; V407-V506 HydrophobicContact CG2-CG1 3.86Å; V407-V506 HydrophobicContact CG2-CG2 4.25Å; T484-V506 CarbonylContact C-O 3.07Å; T484-V506 WeakPolarHBondContact CA-O 3.45Å; Y485-V506 PolarHBondContact N-O 2.87Å; Y485-V506 PolarHBondContact O-N 3.17Å; F487-V506 HydrophobicContact CD2-CG2 4Å; F487-V506 HydrophobicContact CE2-CB 4.17Å; F487-V506 HydrophobicContact CE2-CG2 4.01Å; V504-V506 HydrophobicContact CG1-CG2 4.35Å; V504-V506 HydrophobicContact CG2-CG2 4.38Å |
| 507 | K | 91.6 | Very high | 91.5 | Very high | 122 Ų | 122 | 69.6 Ų | 69.6 | 53% | 0.53 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 117.9 | 167.9 | -169.9 | 171.3 | -175.5 | 172.7 | 0 | 110.3 | R402 N483 | R402-K507 VanDerWaalsContact CD-O 3.31Å; R402-K507 WeakPolarHBondContact CD-O 3.21Å; R402-K507 PolarHBondContact NH1-O 2.98Å; N483-K507 CarbonylContact O-C 3.48Å; N483-K507 WeakPolarHBondContact O-CA 2.87Å |
| 508 | T | 93.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 70.9 Ų | 70.9 | 3% | 0.025 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 155.4 | 176.1 | 53 | 0 | 0 | 0 | 0 | 111.6 | L479 R480 A482 N483 Y485 | L479-T508 HydrophobicContact CB-CG2 3.77Å; L479-T508 HydrophobicContact CD1-CG2 3.84Å; L479-T508 HydrophobicContact CG-CG2 4.48Å; R480-T508 WeakPolarHBondContact O-CB 3.41Å; R480-T508 PolarHBondContact O-OG1 2.71Å; A482-T508 PolarHBondContact N-OG1 3.47Å; A482-T508 VanDerWaalsContact N-OG1 3.13Å; N483-T508 PolarHBondContact N-OG1 2.8Å; N483-T508 PolarHBondContact O-N 3.38Å; N483-T508 PolarHBondContact O-OG1 2.89Å; Y485-T508 HydrophobicContact CD2-CG2 4.05Å; Y485-T508 HydrophobicContact CE2-CG2 3.97Å |
| 509 | K | 93.7 | Very high | 91.3 | Very high | 101 Ų | 101 | 72 Ų | 72 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 149.2 | 176.6 | -67.5 | -178.9 | 174.9 | 166.7 | 0 | 110.7 | R402 T403 C404 P481 A482 | R402-K509 WeakPolarHBondContact O-CE 3.31Å; R402-K509 PolarHBondContact O-NZ 3.08Å; T403-K509 PolarHBondContact O-N 3.13Å; T403-K509 VanDerWaalsContact O-N 3.08Å; C404-K509 HydrophobicContact CB-CB 4.27Å; P481-K509 WeakPolarHBondContact CA-O 3.38Å; P481-K509 WeakPolarHBondContact CB-O 3.46Å; A482-K509 PolarHBondContact N-O 3.23Å |
| 510 | Q | 93.9 | Very high | 91.2 | Very high | 132 Ų | 132 | 76.9 Ų | 76.9 | 62% | 0.617 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -69.1 | -37.4 | 178.5 | -174.5 | 175.3 | 2.5 | 0 | 0 | 112.1 | A482 | A482-Q510 HydrophobicContact CB-CB 4.46Å; A482-Q510 HydrophobicContact CB-CG 4.36Å |
| 511 | F | 93.5 | Very high | 91.1 | Very high | 147 Ų | 147 | 79.9 Ų | 79.9 | 65% | 0.645 | 38% | 0.378 | S | S | * | . | trans | -121.8 | 143.1 | -176.4 | -53.7 | -73.2 | 0 | 0 | 0 | 111.3 | C404 | C404-F511 WeakPolarHBondContact CB-O 3.29Š| ||
| 512 | C | 86.7 | Confident | 91.1 | Very high | 136 Ų | 136 | 86.6 Ų | 86.6 | 92% | 0.919 | 41% | 0.411 | S | S | * | . | trans | -91.7 | 0 | 157.2 | -47.1 | 0 | 0 | 0 | 0 | 106.4 | C404 | C404-C512 HydrophobicContact CB-CB 4.08Å; C404-C512 WeakPolarHBondContact CB-SG 3.49Å; C404-C512 WeakPolarHBondContact SG-CA 3.48Å; C404-C512 WeakPolarHBondContact SG-CB 3.41Å; C404-C512 CovalentContact SG-SG 2.02Å; C404-C512 PolarHBondContact SG-SG 2.76Å |
Retrieved 512 of 512 residues in 1493.6 ms
(Link to these results)