| 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 | 41.6 | Very low | 48.1 | Very low | 231 Ų | 231 | 128.9 Ų | 128.9 | 100% | 1.138 | 64% | 0.643 | S | S | * | * | 0 | -11.7 | 0 | -81.8 | -169.6 | -178.4 | 0 | 0 | 114.6 | |||||
| 2 | C | 39.6 | Very low | 48.2 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 70% | 0.703 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -14.4 | 178.6 | -69.8 | 0 | 0 | 0 | 0 | 116.2 | ||
| 3 | H | 44.1 | Very low | 48.2 | Very low | 159 Ų | 159 | 125 Ų | 125 | 74% | 0.736 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -78.9 | -19.5 | -177.6 | -100.8 | -52.3 | 0 | 0 | 0 | 114.9 | ||
| 4 | Y | 46.9 | Very low | 48.1 | Very low | 195 Ų | 195 | 120.4 Ų | 120.4 | 77% | 0.765 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -83.6 | -23.1 | 174 | -88.7 | -88.6 | 0 | 0 | 0 | 112.8 | F8 | Y4-F8 WeakPolarHBondContact O-CB 3.43Å; Y4-F8 PolarHBondContact O-N 3.09Å; Y4-F8 VanDerWaalsContact O-N 3.09Å |
| 5 | L | 46.8 | Very low | 47.4 | Very low | 119 Ų | 119 | 123 Ų | 123 | 62% | 0.623 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -72.3 | -32.5 | 178.5 | -139.7 | 87.5 | 0 | 0 | 0 | 111.9 | I9 | L5-I9 HydrophobicContact CD2-CD1 4.29Å; L5-I9 HydrophobicContact CG-CD1 4.34Å; L5-I9 WeakPolarHBondContact O-CB 3.31Å; L5-I9 VanDerWaalsContact O-CD1 3.31Å; L5-I9 WeakPolarHBondContact O-CD1 3.36Å; L5-I9 WeakPolarHBondContact O-CG1 3.13Å; L5-I9 PolarHBondContact O-N 3.01Å |
| 6 | I | 53.2 | Low | 47 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 54% | 0.538 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -77.9 | -30.8 | -178.4 | -61.5 | 168.2 | 0 | 0 | 0 | 111.5 | T10 | I6-T10 PolarHBondContact O-N 2.7Å; I6-T10 VanDerWaalsContact O-N 3.15Å; I6-T10 PolarHBondContact O-OG1 3.15Å |
| 7 | L | 50.7 | Low | 46.4 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 57% | 0.565 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -78 | -33.2 | 171.6 | -113 | 98.3 | 0 | 0 | 0 | 112.8 | T10 I11 | L7-T10 VanDerWaalsContact CA-OG1 3.29Å; L7-T10 WeakPolarHBondContact CA-OG1 3.29Å; L7-T10 PolarHBondContact O-OG1 3.42Å; L7-I11 HydrophobicContact CD2-CD1 4.26Å; L7-I11 VanDerWaalsContact O-CB 3.31Å; L7-I11 WeakPolarHBondContact O-CB 3.2Å; L7-I11 WeakPolarHBondContact O-CD1 3.42Å; L7-I11 WeakPolarHBondContact O-CG1 3.32Å; L7-I11 PolarHBondContact O-N 3.16Å |
| 8 | F | 50.9 | Low | 45.9 | Very low | 142 Ų | 142 | 122 Ų | 122 | 62% | 0.623 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.5 | -34.6 | 174.7 | -126.4 | -100.1 | 0 | 0 | 0 | 111.9 | Y4 I12 | Y4-F8 WeakPolarHBondContact O-CB 3.43Å; Y4-F8 PolarHBondContact O-N 3.09Å; Y4-F8 VanDerWaalsContact O-N 3.09Å; F8-I12 HydrophobicContact CD1-CD1 3.61Å; F8-I12 HydrophobicContact CD1-CG1 4.28Å; F8-I12 HydrophobicContact CE1-CD1 4.13Å; F8-I12 VanDerWaalsContact O-CB 3.25Å; F8-I12 WeakPolarHBondContact O-CB 3.14Å; F8-I12 WeakPolarHBondContact O-CD1 3.44Å; F8-I12 WeakPolarHBondContact O-CG1 3.25Å; F8-I12 PolarHBondContact O-N 2.91Å |
| 9 | I | 54 | Low | 45.1 | Very low | 91 Ų | 91 | 124.8 Ų | 124.8 | 47% | 0.467 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -71.2 | -38.4 | 174.2 | -68.9 | 165.7 | 0 | 0 | 0 | 110.9 | L5 I13 | L5-I9 HydrophobicContact CD2-CD1 4.29Å; L5-I9 HydrophobicContact CG-CD1 4.34Å; L5-I9 WeakPolarHBondContact O-CB 3.31Å; L5-I9 VanDerWaalsContact O-CD1 3.31Å; L5-I9 WeakPolarHBondContact O-CD1 3.36Å; L5-I9 WeakPolarHBondContact O-CG1 3.13Å; L5-I9 PolarHBondContact O-N 3.01Å; I9-I13 HydrophobicContact CG2-CD1 3.7Å; I9-I13 WeakPolarHBondContact O-CB 3.48Å; I9-I13 WeakPolarHBondContact O-CD1 3.31Å; I9-I13 WeakPolarHBondContact O-CG1 3.2Å; I9-I13 PolarHBondContact O-N 2.93Å |
| 10 | T | 52 | Low | 44.4 | Very low | 78 Ų | 78 | 128.1 Ų | 128.1 | 48% | 0.479 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -73.4 | -29.2 | 175.3 | 41.1 | 0 | 0 | 0 | 0 | 113.5 | I6 L7 S14 | I6-T10 PolarHBondContact O-N 2.7Å; I6-T10 VanDerWaalsContact O-N 3.15Å; I6-T10 PolarHBondContact O-OG1 3.15Å; L7-T10 VanDerWaalsContact CA-OG1 3.29Å; L7-T10 WeakPolarHBondContact CA-OG1 3.29Å; L7-T10 PolarHBondContact O-OG1 3.42Å; T10-S14 WeakPolarHBondContact O-CB 3.06Å; T10-S14 PolarHBondContact O-N 3.22Å; T10-S14 VanDerWaalsContact O-N 3.16Å; T10-S14 PolarHBondContact O-OG 3Å |
| 11 | I | 49.6 | Very low | 43.6 | Very low | 86 Ų | 86 | 130.8 Ų | 130.8 | 44% | 0.441 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -79.5 | -34.8 | 175 | -67.1 | 168.1 | 0 | 0 | 0 | 111.8 | L7 I13 S14 F15 | L7-I11 HydrophobicContact CD2-CD1 4.26Å; L7-I11 VanDerWaalsContact O-CB 3.31Å; L7-I11 WeakPolarHBondContact O-CB 3.2Å; L7-I11 WeakPolarHBondContact O-CD1 3.42Å; L7-I11 WeakPolarHBondContact O-CG1 3.32Å; L7-I11 PolarHBondContact O-N 3.16Å; I11-I13 VanDerWaalsContact C-N 3.33Å; I11-S14 WeakPolarHBondContact CA-OG 3.33Å; I11-S14 PolarHBondContact O-N 2.99Å; I11-S14 VanDerWaalsContact O-N 3.1Å; I11-S14 PolarHBondContact O-OG 2.86Å; I11-F15 HydrophobicContact CG2-CD2 4.42Å; I11-F15 PolarHBondContact O-N 3.1Å |
| 12 | I | 49.4 | Very low | 43.1 | Very low | 95 Ų | 95 | 128.7 Ų | 128.7 | 49% | 0.487 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -68.4 | -32.4 | 171.3 | -70.2 | 169.9 | 0 | 0 | 0 | 111.3 | F8 S14 V16 | F8-I12 HydrophobicContact CD1-CD1 3.61Å; F8-I12 HydrophobicContact CD1-CG1 4.28Å; F8-I12 HydrophobicContact CE1-CD1 4.13Å; F8-I12 VanDerWaalsContact O-CB 3.25Å; F8-I12 WeakPolarHBondContact O-CB 3.14Å; F8-I12 WeakPolarHBondContact O-CD1 3.44Å; F8-I12 WeakPolarHBondContact O-CG1 3.25Å; F8-I12 PolarHBondContact O-N 2.91Å; I12-S14 VanDerWaalsContact C-N 3.28Å; I12-S14 PolarHBondContact O-N 3.47Å; I12-V16 HydrophobicContact CG2-CG2 4.45Å; I12-V16 VanDerWaalsContact O-CG2 3.28Å; I12-V16 WeakPolarHBondContact O-CG2 3.24Å; I12-V16 PolarHBondContact O-N 3.42Å |
| 13 | I | 48.3 | Very low | 42.5 | Very low | 112 Ų | 112 | 127 Ų | 127 | 57% | 0.574 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.9 | -21.6 | 171 | -67.7 | 164.3 | 0 | 0 | 0 | 112 | I9 I11 | I9-I13 HydrophobicContact CG2-CD1 3.7Å; I9-I13 WeakPolarHBondContact O-CB 3.48Å; I9-I13 WeakPolarHBondContact O-CD1 3.31Å; I9-I13 WeakPolarHBondContact O-CG1 3.2Å; I9-I13 PolarHBondContact O-N 2.93Å; I11-I13 VanDerWaalsContact C-N 3.33Å |
| 14 | S | 46.1 | Very low | 41.9 | Very low | 61 Ų | 61 | 129.2 Ų | 129.2 | 43% | 0.427 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -95 | -20.2 | -179.7 | 73.8 | 0 | 0 | 0 | 0 | 115.2 | T10 I11 I12 | T10-S14 WeakPolarHBondContact O-CB 3.06Å; T10-S14 PolarHBondContact O-N 3.22Å; T10-S14 VanDerWaalsContact O-N 3.16Å; T10-S14 PolarHBondContact O-OG 3Å; I11-S14 WeakPolarHBondContact CA-OG 3.33Å; I11-S14 PolarHBondContact O-N 2.99Å; I11-S14 VanDerWaalsContact O-N 3.1Å; I11-S14 PolarHBondContact O-OG 2.86Å; I12-S14 VanDerWaalsContact C-N 3.28Å; I12-S14 PolarHBondContact O-N 3.47Å |
| 15 | F | 37.4 | Very low | 41.1 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 70% | 0.697 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -110.1 | -2.9 | -177.5 | -100.4 | -89.4 | 0 | 0 | 0 | 115.6 | I11 N17 | I11-F15 HydrophobicContact CG2-CD2 4.42Å; I11-F15 PolarHBondContact O-N 3.1Å; F15-N17 PolarHBondContact O-N 2.88Å |
| 16 | V | 42 | Very low | 40.8 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 73% | 0.733 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -2.3 | 162.3 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | I12 | I12-V16 HydrophobicContact CG2-CG2 4.45Å; I12-V16 VanDerWaalsContact O-CG2 3.28Å; I12-V16 WeakPolarHBondContact O-CG2 3.24Å; I12-V16 PolarHBondContact O-N 3.42Å |
| 17 | N | 36.3 | Very low | 40.3 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 67% | 0.674 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 2.4 | -171.5 | -95 | -24.3 | 0 | 0 | 0 | 117.1 | F15 | F15-N17 PolarHBondContact O-N 2.88Š|
| 18 | T | 36.4 | Very low | 40.4 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 64% | 0.638 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -158.2 | 82.1 | 179.3 | 40.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 19 | Q | 31.3 | Very low | 40.4 | Very low | 176 Ų | 176 | 128.3 Ų | 128.3 | 82% | 0.822 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 165.6 | 129.8 | 138.7 | -91 | -149.6 | -7.1 | 0 | 0 | 111 | ||
| 20 | K | 30.6 | Very low | 40.7 | Very low | 190 Ų | 190 | 124.2 Ų | 124.2 | 83% | 0.826 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 74.6 | 117.7 | 166.2 | -62.5 | 172.5 | 176.4 | 175.8 | 0 | 116 | ||
| 21 | Q | 29.3 | Very low | 41.8 | Very low | 185 Ų | 185 | 121.5 Ų | 121.5 | 86% | 0.864 | 62% | 0.623 | S | S | * | * | cis | -116.8 | 172.6 | 1.8 | -74.2 | 167.5 | -45.8 | 0 | 0 | 108.5 | G23 | Q21-G23 PolarHBondContact O-N 2.64Š| ||
| 22 | E | 29.3 | Very low | 43.5 | Very low | 186 Ų | 186 | 118.6 Ų | 118.6 | 87% | 0.869 | 61% | 0.606 | S | S | * | * | trans | -54.2 | 82.4 | 162.1 | -67.9 | 174.8 | 155.7 | 0 | 0 | 108.9 | Y24 | E22-Y24 PolarHBondContact O-N 3.42Å; E22-Y24 VanDerWaalsContact O-N 3.1Å | ||
| 23 | G | 28.7 | Very low | 45.4 | Very low | 68 Ų | 68 | 114.1 Ų | 114.1 | 70% | 0.701 | 58% | 0.583 | S | S | * | * | trans | -81.4 | 95.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | Q21 K25 | Q21-G23 PolarHBondContact O-N 2.64Å; G23-K25 PolarHBondContact O-N 3.38Å | ||
| 24 | Y | 31 | Very low | 47.5 | Very low | 207 Ų | 207 | 108.8 Ų | 108.8 | 81% | 0.812 | 56% | 0.556 | S | S | * | * | trans | -28.9 | 110.9 | 175.9 | -66.6 | -89.6 | 0 | 0 | 0 | 110.1 | E22 L26 | E22-Y24 PolarHBondContact O-N 3.42Å; E22-Y24 VanDerWaalsContact O-N 3.1Å; Y24-L26 PolarHBondContact O-N 2.97Å | ||
| 25 | K | 30.5 | Very low | 49.7 | Very low | 201 Ų | 201 | 105.9 Ų | 105.9 | 87% | 0.874 | 54% | 0.536 | S | S | * | . | trans | -59.7 | 92.6 | 159.5 | -150 | -178.3 | -169.8 | -175.4 | 0 | 102.5 | G23 D27 | G23-K25 PolarHBondContact O-N 3.38Å; K25-D27 PolarHBondContact O-N 2.67Å | ||
| 26 | L | 40.1 | Very low | 52.4 | Low | 141 Ų | 141 | 98.4 Ų | 98.4 | 74% | 0.738 | 50% | 0.503 | S | S | * | . | trans | -54.5 | 111.7 | -179.7 | -92.1 | 149.4 | 0 | 0 | 0 | 104.5 | Y24 | Y24-L26 PolarHBondContact O-N 2.97Š| ||
| 27 | D | 43.4 | Very low | 54.8 | Low | 129 Ų | 129 | 92.8 Ų | 92.8 | 69% | 0.69 | 47% | 0.469 | S | S | * | . | trans | -45.6 | 139 | 172.3 | -72.9 | -46.5 | 0 | 0 | 0 | 107.4 | K25 L29 | K25-D27 PolarHBondContact O-N 2.67Å; D27-L29 PolarHBondContact O-N 2.94Å; D27-L29 VanDerWaalsContact O-N 3.12Å | ||
| 28 | P | 51 | Low | 57.3 | Low | 77 Ų | 77 | 88.2 Ų | 88.2 | 50% | 0.5 | 45% | 0.445 | S | S | . | . | trans | -44.5 | 126.1 | -173.6 | 14 | -26.5 | 0 | 0 | 0 | 108.5 | L56 | P28-L56 HydrophobicContact CB-CD2 4.48Å; P28-L56 HydrophobicContact CG-CD2 3.83Å; P28-L56 WeakPolarHBondContact O-CD1 3.49Å; P28-L56 VanDerWaalsContact O-CD2 3.23Å; P28-L56 WeakPolarHBondContact O-CD2 3.28Å | ||
| 29 | L | 52.7 | Low | 59.7 | Low | 102 Ų | 102 | 84.3 Ų | 84.3 | 53% | 0.534 | 42% | 0.418 | S | S | . | . | trans | -69.1 | 147.8 | -176.1 | -79.7 | 151.8 | 0 | 0 | 0 | 109.9 | D27 S31 | D27-L29 PolarHBondContact O-N 2.94Å; D27-L29 VanDerWaalsContact O-N 3.12Å; L29-S31 PolarHBondContact O-N 3.19Å; L29-S31 VanDerWaalsContact O-N 3.07Å | ||
| 30 | T | 58.3 | Low | 62.5 | Low | 4 Ų | 4 | 76 Ų | 76 | 3% | 0.025 | 38% | 0.379 | C | S | . | . | trans | -55.5 | 113.6 | 173.7 | 45.8 | 0 | 0 | 0 | 0 | 109.5 | Y32 E54 L56 Y57 | T30-Y32 WeakPolarHBondContact O-CD1 3Å; T30-E54 VanDerWaalsContact CA-O 3.31Å; T30-E54 WeakPolarHBondContact CA-O 3.26Å; T30-E54 VanDerWaalsContact CB-O 3.3Å; T30-E54 WeakPolarHBondContact CB-O 3.23Å; T30-E54 WeakPolarHBondContact CG2-O 3.36Å; T30-L56 HydrophobicContact CG2-CD1 3.62Å; T30-Y57 HydrophobicContact CG2-CD2 4.08Å; T30-Y57 HydrophobicContact CG2-CE2 4.28Å | ||
| 31 | S | 75.5 | Confident | 65.1 | Low | 21 Ų | 21 | 67.8 Ų | 67.8 | 15% | 0.147 | 34% | 0.343 | C | S | . | . | trans | -76.7 | 129.3 | 176.9 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | L29 F53 D667 | L29-S31 PolarHBondContact O-N 3.19Å; L29-S31 VanDerWaalsContact O-N 3.07Å; S31-F53 PolarHBondContact O-N 2.81Å; S31-D667 WeakPolarHBondContact CA-OD1 3.38Å; S31-D667 VanDerWaalsContact CA-OD2 3.3Å; S31-D667 WeakPolarHBondContact CA-OD2 3.45Å; S31-D667 PolarHBondContact OG-OD1 3.18Å | ||
| 32 | Y | 86.5 | Confident | 67.7 | Low | 26 Ų | 26 | 59.4 Ų | 59.4 | 10% | 0.102 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 149.1 | -175.8 | 68.9 | -90.7 | 0 | 0 | 0 | 112.9 | T30 I34 S51 F117 T666 D667 | T30-Y32 WeakPolarHBondContact O-CD1 3Å; Y32-I34 HydrophobicContact CD2-CD1 3.99Å; Y32-I34 HydrophobicContact CD2-CG1 4.11Å; Y32-I34 HydrophobicContact CE2-CD1 4.34Å; Y32-S51 CarbonylContact C-O 3.44Å; Y32-S51 VanDerWaalsContact CA-O 3.28Å; Y32-S51 WeakPolarHBondContact CA-O 3.28Å; Y32-F117 AromaticContact CD1-CD1 3.99Å; Y32-F117 HydrophobicContact CD1-CD1 3.99Å; Y32-F117 AromaticContact CD1-CE1 3.73Å; Y32-F117 HydrophobicContact CD1-CE1 3.73Å; Y32-F117 HydrophobicContact CD1-CG 4.48Å; Y32-F117 HydrophobicContact CD1-CZ 4.01Å; Y32-F117 HydrophobicContact CD2-CE2 4.2Å; Y32-F117 HydrophobicContact CD2-CZ 4.18Å; Y32-F117 HydrophobicContact CE1-CB 4.23Å; Y32-F117 AromaticContact CE1-CD1 3.5Å; Y32-F117 HydrophobicContact CE1-CD1 3.5Å; Y32-F117 VanDerWaalsContact CE1-CD1 3.5Å; Y32-F117 AromaticContact CE1-CD2 3.98Å; Y32-F117 HydrophobicContact CE1-CD2 3.98Å; Y32-F117 AromaticContact CE1-CE1 3.71Å; Y32-F117 HydrophobicContact CE1-CE1 3.71Å; Y32-F117 HydrophobicContact CE1-CE2 4.18Å; Y32-F117 AromaticContact CE1-CG 3.64Å; Y32-F117 HydrophobicContact CE1-CG 3.64Å; Y32-F117 HydrophobicContact CE1-CZ 4.05Å; Y32-F117 AromaticContact CE2-CD2 3.98Å; Y32-F117 HydrophobicContact CE2-CD2 3.98Å; Y32-F117 AromaticContact CE2-CE2 3.84Å; Y32-F117 HydrophobicContact CE2-CE2 3.84Å; Y32-F117 HydrophobicContact CE2-CG 4.47Å; Y32-F117 HydrophobicContact CE2-CZ 4.22Å; Y32-F117 HydrophobicContact CG-CE1 4.24Å; Y32-F117 HydrophobicContact CG-CZ 4.08Å; Y32-F117 AromaticContact CZ-CD1 3.98Å; Y32-F117 AromaticContact CZ-CD2 3.56Å; Y32-F117 AromaticContact CZ-CE2 3.83Å; Y32-F117 AromaticContact CZ-CG 3.64Å; Y32-T666 VanDerWaalsContact O-CA 3.27Å; Y32-T666 WeakPolarHBondContact O-CA 3.48Å; Y32-T666 VanDerWaalsContact O-CB 3.28Å; Y32-T666 WeakPolarHBondContact O-CB 3.44Å; Y32-T666 PolarHBondContact O-OG1 2.94Å; Y32-D667 HydrophobicContact CD1-CB 4.34Å; Y32-D667 HydrophobicContact CE1-CB 3.91Å; Y32-D667 PolarHBondContact N-OD1 3.27Å |
| 33 | V | 89.4 | Confident | 70.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 122.9 | 168.8 | 174.7 | 0 | 0 | 0 | 0 | 107.8 | L35 S51 F53 Y538 I540 I546 I664 F665 T666 | V33-L35 HydrophobicContact CG1-CD2 4.36Å; V33-L35 HydrophobicContact CG1-CG 4.1Å; V33-S51 PolarHBondContact N-O 3.42Å; V33-S51 PolarHBondContact O-N 3.13Å; V33-F53 HydrophobicContact CB-CE2 3.9Å; V33-F53 HydrophobicContact CG2-CE2 3.6Å; V33-F53 HydrophobicContact CG2-CZ 4.22Å; V33-Y538 HydrophobicContact CB-CE2 4.26Å; V33-Y538 HydrophobicContact CG1-CE2 3.99Å; V33-Y538 HydrophobicContact CG2-CE2 4.16Å; V33-I540 HydrophobicContact CG2-CD1 4.16Å; V33-I546 HydrophobicContact CG2-CD1 4.02Å; V33-I664 HydrophobicContact CG1-CD1 4.39Å; V33-I664 HydrophobicContact CG1-CG1 4.38Å; V33-F665 CarbonylContact C-O 3.46Å; V33-F665 WeakPolarHBondContact CA-O 3.24Å; V33-T666 WeakPolarHBondContact CG2-OG1 3.38Å |
| 34 | I | 91.8 | Very high | 73 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.1 | 176.6 | -60.8 | 168.3 | 0 | 0 | 0 | 107.6 | Y32 I48 S49 V50 V105 F117 F665 | Y32-I34 HydrophobicContact CD2-CD1 3.99Å; Y32-I34 HydrophobicContact CD2-CG1 4.11Å; Y32-I34 HydrophobicContact CE2-CD1 4.34Å; I34-I48 HydrophobicContact CG2-CG2 3.72Å; I34-S49 CarbonylContact C-O 3.59Å; I34-S49 VanDerWaalsContact CA-O 3.29Å; I34-S49 WeakPolarHBondContact CA-O 3.01Å; I34-V50 HydrophobicContact CG1-CB 4.42Å; I34-V50 HydrophobicContact CG1-CG1 4.07Å; I34-V50 HydrophobicContact CG1-CG2 4.17Å; I34-V50 HydrophobicContact CG2-CG2 4.24Å; I34-V105 HydrophobicContact CD1-CG1 3.52Å; I34-F117 HydrophobicContact CD1-CE2 4.08Å; I34-F117 HydrophobicContact CD1-CZ 4.45Å; I34-F665 HydrophobicContact CB-CB 4.05Å; I34-F665 HydrophobicContact CG2-CD2 4.3Å; I34-F665 PolarHBondContact N-O 2.91Å; I34-F665 PolarHBondContact O-N 3.4Å |
| 35 | L | 92.6 | Very high | 75.8 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 123.8 | 179.1 | -64.2 | 169.9 | 0 | 0 | 0 | 108.8 | V33 S49 V497 I504 Y538 M657 I663 I664 | V33-L35 HydrophobicContact CG1-CD2 4.36Å; V33-L35 HydrophobicContact CG1-CG 4.1Å; L35-S49 PolarHBondContact N-O 3.23Å; L35-S49 PolarHBondContact O-N 2.98Å; L35-V497 HydrophobicContact CD1-CG2 3.65Å; L35-I504 HydrophobicContact CB-CD1 4.3Å; L35-I504 VanDerWaalsContact O-CD1 3.23Å; L35-I504 WeakPolarHBondContact O-CD1 3.37Å; L35-Y538 HydrophobicContact CD1-CD1 4.4Å; L35-Y538 HydrophobicContact CD1-CE1 3.73Å; L35-M657 HydrophobicContact CD2-CE 4.44Å; L35-M657 HydrophobicContact CD2-SD 3.86Å; L35-I663 WeakPolarHBondContact CA-O 3.19Å; L35-I664 HydrophobicContact CD2-CB 3.88Å; L35-I664 HydrophobicContact CD2-CD1 4.19Å; L35-I664 HydrophobicContact CD2-CG1 3.81Å |
| 36 | A | 93.1 | Very high | 78.7 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 146.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I48 L103 L662 I663 | A36-I48 HydrophobicContact CB-CD1 4.38Å; A36-I48 HydrophobicContact CB-CG1 3.99Å; A36-I48 HydrophobicContact CB-CG2 4.3Å; A36-L103 HydrophobicContact CB-CD2 3.33Å; A36-L662 CarbonylContact O-C 3.53Å; A36-L662 WeakPolarHBondContact O-CA 3.42Å; A36-I663 PolarHBondContact N-O 3.19Å; A36-I663 PolarHBondContact O-N 3.45Å |
| 37 | P | 92.6 | Very high | 81.2 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 145 | 171.7 | -21 | 32.5 | 0 | 0 | 0 | 112.5 | V46 Q47 L123 G502 I504 | P37-V46 HydrophobicContact CG-CG1 4.18Å; P37-Q47 VanDerWaalsContact CD-O 3.29Å; P37-Q47 WeakPolarHBondContact CD-O 3.37Å; P37-L123 VanDerWaalsContact O-CD2 3.28Å; P37-L123 WeakPolarHBondContact O-CD2 3.16Å; P37-G502 VanDerWaalsContact CB-O 3.3Å; P37-G502 WeakPolarHBondContact CB-O 3.19Å; P37-I504 HydrophobicContact CG-CG1 4.33Å |
| 38 | N | 88.4 | Confident | 83.6 | Confident | 30 Ų | 30 | 26.3 Ų | 26.3 | 16% | 0.16 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -78.5 | -20.6 | 176.3 | -170.8 | 6.1 | 0 | 0 | 0 | 112.9 | T124 G661 I663 | N38-T124 PolarHBondContact O-N 3.27Å; N38-T124 PolarHBondContact O-OG1 2.84Å; N38-G661 WeakPolarHBondContact CB-O 3.14Å; N38-G661 PolarHBondContact N-O 3.08Å; N38-I663 HydrophobicContact CB-CD1 4.19Å; N38-I663 HydrophobicContact CB-CG1 4.04Å |
| 39 | R | 87.8 | Confident | 85.7 | Confident | 23 Ų | 23 | 22.7 Ų | 22.7 | 9% | 0.087 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 145.1 | -176.1 | -176.7 | -179.1 | 174.1 | 168 | 6.7 | 111.2 | T124 S126 T619 Y620 H623 | R39-T124 CarbonylContact C-O 3.54Å; R39-T124 VanDerWaalsContact CA-O 3.3Å; R39-T124 WeakPolarHBondContact CA-O 3.29Å; R39-T124 VanDerWaalsContact CA-OG1 3.3Å; R39-T124 WeakPolarHBondContact CA-OG1 3.47Å; R39-T124 WeakPolarHBondContact CB-OG1 3.49Å; R39-S126 VanDerWaalsContact CZ-CB 3.48Å; R39-S126 PolarHBondContact NE-OG 2.74Å; R39-S126 PolarHBondContact NH2-OG 2.88Å; R39-T619 PolarHBondContact NH1-O 2.02Å; R39-T619 VanDerWaalsContact NH1-O 3.11Å; R39-Y620 PolarHBondContact NH1-O 3.25Å; R39-H623 PolarHBondContact NH1-ND1 3.41Å |
| 40 | I | 89.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 147.1 | 171.8 | 58.6 | 168.6 | 0 | 0 | 0 | 110.8 | V46 I66 V92 Y101 L123 T124 F125 S126 | I40-V46 HydrophobicContact CB-CG2 4.31Å; I40-V46 HydrophobicContact CG2-CG1 4.4Å; I40-V46 HydrophobicContact CG2-CG2 3.66Å; I40-I66 HydrophobicContact CD1-CG2 4.3Å; I40-V92 HydrophobicContact CB-CG2 4.36Å; I40-Y101 HydrophobicContact CD1-CD1 3.56Å; I40-Y101 HydrophobicContact CD1-CD2 4.37Å; I40-Y101 HydrophobicContact CD1-CE1 4.16Å; I40-Y101 HydrophobicContact CD1-CG 3.69Å; I40-L123 HydrophobicContact CD1-CD1 4.12Å; I40-L123 HydrophobicContact CG2-CD1 3.96Å; I40-T124 PolarHBondContact N-O 2.98Å; I40-F125 HydrophobicContact CG1-CD2 4.24Å; I40-F125 WeakPolarHBondContact O-CA 3.46Å; I40-S126 PolarHBondContact O-N 3.15Å |
| 41 | R | 86.3 | Confident | 89 | Confident | 18 Ų | 18 | 17.7 Ų | 17.7 | 7% | 0.068 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 162.3 | 173.2 | -62.5 | 167.7 | -76.5 | -164.9 | -6.4 | 111.3 | E44 V92 Q128 N501 | R41-E44 HydrophobicContact CB-CB 4.11Å; R41-E44 VanDerWaalsContact CB-OE2 3.24Å; R41-E44 WeakPolarHBondContact CB-OE2 3.38Å; R41-E44 WeakPolarHBondContact CG-OE2 3.28Å; R41-E44 IonicContact CZ-OE1 3.11Å; R41-E44 IonicContact CZ-OE2 3.57Å; R41-E44 PolarHBondContact N-OE2 3.39Å; R41-E44 IonicContact NE-OE1 3.69Å; R41-E44 IonicContact NE-OE2 3.33Å; R41-E44 PolarHBondContact NE-OE2 3.14Å; R41-E44 VanDerWaalsContact NH2-CD 3.31Å; R41-E44 IonicContact NH2-OE1 2.83Å; R41-E44 PolarHBondContact NH2-OE1 2.87Å; R41-E44 IonicContact NH2-OE2 3.9Å; R41-E44 WeakPolarHBondContact O-CB 3.43Å; R41-V92 WeakPolarHBondContact O-CB 3.37Å; R41-V92 WeakPolarHBondContact O-CG1 3.43Å; R41-Q128 VanDerWaalsContact CD-O 3.3Å; R41-Q128 WeakPolarHBondContact CD-O 3.19Å; R41-N501 PolarHBondContact NH2-O 2.88Å |
| 42 | A | 83.8 | Confident | 89.6 | Confident | 10 Ų | 10 | 16.9 Ų | 16.9 | 8% | 0.083 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 141.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | E44 A96 F125 | A42-E44 PolarHBondContact O-N 2.81Å; A42-E44 VanDerWaalsContact O-N 3.13Å; A42-A96 HydrophobicContact CB-CB 4.2Å; A42-F125 HydrophobicContact CB-CE2 4.5Å; A42-F125 HydrophobicContact CB-CZ 4.33Å |
| 43 | N | 83.7 | Confident | 89.4 | Confident | 101 Ų | 101 | 18.7 Ų | 18.7 | 54% | 0.54 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 14.2 | -178.9 | -161.8 | 38.1 | 0 | 0 | 0 | 115.3 | V92 N94 | N43-V92 WeakPolarHBondContact CA-O 3.37Å; N43-V92 PolarHBondContact N-O 3.47Å; N43-V92 VanDerWaalsContact N-O 3.15Å; N43-N94 HydrophobicContact CB-CB 4.36Å |
| 44 | E | 85.3 | Confident | 88.9 | Confident | 23 Ų | 23 | 23 Ų | 23 | 11% | 0.107 | 11% | 0.114 | C | C | . | . | trans | -87.5 | 143.8 | 177.4 | -177.3 | 173 | -165.5 | 0 | 0 | 111.9 | R41 A42 V92 | R41-E44 HydrophobicContact CB-CB 4.11Å; R41-E44 VanDerWaalsContact CB-OE2 3.24Å; R41-E44 WeakPolarHBondContact CB-OE2 3.38Å; R41-E44 WeakPolarHBondContact CG-OE2 3.28Å; R41-E44 IonicContact CZ-OE1 3.11Å; R41-E44 IonicContact CZ-OE2 3.57Å; R41-E44 PolarHBondContact N-OE2 3.39Å; R41-E44 IonicContact NE-OE1 3.69Å; R41-E44 IonicContact NE-OE2 3.33Å; R41-E44 PolarHBondContact NE-OE2 3.14Å; R41-E44 VanDerWaalsContact NH2-CD 3.31Å; R41-E44 IonicContact NH2-OE1 2.83Å; R41-E44 PolarHBondContact NH2-OE1 2.87Å; R41-E44 IonicContact NH2-OE2 3.9Å; R41-E44 WeakPolarHBondContact O-CB 3.43Å; A42-E44 PolarHBondContact O-N 2.81Å; A42-E44 VanDerWaalsContact O-N 3.13Å; E44-V92 PolarHBondContact O-N 2.88Å | ||
| 45 | L | 90.3 | Very high | 88.1 | Confident | 71 Ų | 71 | 24.8 Ų | 24.8 | 37% | 0.372 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 96.4 | 171.1 | -174 | 74 | 0 | 0 | 0 | 109.8 | Q89 K91 N503 | L45-Q89 HydrophobicContact CD1-CB 4.14Å; L45-K91 HydrophobicContact CD1-CB 4.03Å; L45-N503 PolarHBondContact O-ND2 3.18Å |
| 46 | V | 91.2 | Very high | 87.1 | Confident | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.03 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 126.9 | -179.4 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | P37 I40 I48 Q89 L90 V92 | P37-V46 HydrophobicContact CG-CG1 4.18Å; I40-V46 HydrophobicContact CB-CG2 4.31Å; I40-V46 HydrophobicContact CG2-CG1 4.4Å; I40-V46 HydrophobicContact CG2-CG2 3.66Å; V46-I48 HydrophobicContact CG1-CG1 4.35Å; V46-Q89 WeakPolarHBondContact O-CA 3.13Å; V46-L90 HydrophobicContact CB-CB 4.4Å; V46-L90 PolarHBondContact N-O 2.72Å; V46-L90 PolarHBondContact O-N 2.78Å; V46-V92 HydrophobicContact CG2-CG2 3.71Å |
| 47 | Q | 92.8 | Very high | 86.4 | Confident | 35 Ų | 35 | 31.8 Ų | 31.8 | 16% | 0.164 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.2 | 178.3 | -61.7 | -165.6 | 8.2 | 0 | 0 | 110.3 | P37 I87 N503 I504 | P37-Q47 VanDerWaalsContact CD-O 3.29Å; P37-Q47 WeakPolarHBondContact CD-O 3.37Å; Q47-I87 HydrophobicContact CB-CG2 3.73Å; Q47-I87 HydrophobicContact CG-CG2 4.17Å; Q47-N503 PolarHBondContact N-OD1 3.3Å; Q47-I504 HydrophobicContact CB-CB 4.16Å; Q47-I504 WeakPolarHBondContact CB-O 3.07Å; Q47-I504 VanDerWaalsContact CD-O 3.23Å; Q47-I504 PolarHBondContact OE1-O 3.48Å |
| 48 | I | 93.7 | Very high | 85.6 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.4 | -178.2 | -67.3 | 167.7 | 0 | 0 | 0 | 108.3 | I34 A36 V46 V50 L64 I87 M88 L90 L103 | I34-I48 HydrophobicContact CG2-CG2 3.72Å; A36-I48 HydrophobicContact CB-CD1 4.38Å; A36-I48 HydrophobicContact CB-CG1 3.99Å; A36-I48 HydrophobicContact CB-CG2 4.3Å; V46-I48 HydrophobicContact CG1-CG1 4.35Å; I48-V50 HydrophobicContact CG2-CG2 4.19Å; I48-L64 HydrophobicContact CB-CD1 3.84Å; I48-L64 HydrophobicContact CD1-CD1 3.75Å; I48-L64 HydrophobicContact CG1-CD1 4.38Å; I48-L64 HydrophobicContact CG2-CD1 3.7Å; I48-I87 CarbonylContact O-C 3.56Å; I48-I87 WeakPolarHBondContact O-CA 3.06Å; I48-M88 PolarHBondContact N-O 3.37Å; I48-M88 PolarHBondContact O-N 2.89Å; I48-L90 HydrophobicContact CD1-CD1 3.66Å; I48-L103 HydrophobicContact CD1-CD1 3.9Å; I48-L103 HydrophobicContact CD1-CD2 4.2Å |
| 49 | S | 93.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 129.4 | 178.1 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | I34 L35 T507 | I34-S49 CarbonylContact C-O 3.59Å; I34-S49 VanDerWaalsContact CA-O 3.29Å; I34-S49 WeakPolarHBondContact CA-O 3.01Å; L35-S49 PolarHBondContact N-O 3.23Å; L35-S49 PolarHBondContact O-N 2.98Å; S49-T507 PolarHBondContact OG-OG1 3.05Å |
| 50 | V | 92.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 110.2 | -178 | 178.4 | 0 | 0 | 0 | 0 | 108.3 | I34 I48 I62 F80 T85 R86 M88 | I34-V50 HydrophobicContact CG1-CB 4.42Å; I34-V50 HydrophobicContact CG1-CG1 4.07Å; I34-V50 HydrophobicContact CG1-CG2 4.17Å; I34-V50 HydrophobicContact CG2-CG2 4.24Å; I48-V50 HydrophobicContact CG2-CG2 4.19Å; V50-I62 HydrophobicContact CG1-CD1 3.38Å; V50-F80 HydrophobicContact CB-CZ 3.96Å; V50-F80 HydrophobicContact CG1-CE1 4.35Å; V50-F80 HydrophobicContact CG1-CE2 3.92Å; V50-F80 HydrophobicContact CG1-CZ 3.53Å; V50-T85 CarbonylContact O-C 3.54Å; V50-T85 WeakPolarHBondContact O-CA 3.44Å; V50-R86 PolarHBondContact N-O 3.48Å; V50-R86 PolarHBondContact O-N 2.71Å; V50-M88 HydrophobicContact CG2-CG 4.15Å; V50-M88 HydrophobicContact CG2-SD 3.91Å |
| 51 | S | 89.6 | Confident | 85.2 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.1 | 178.5 | -64.5 | 0 | 0 | 0 | 0 | 110.1 | Y32 V33 T85 Y538 | Y32-S51 CarbonylContact C-O 3.44Å; Y32-S51 VanDerWaalsContact CA-O 3.28Å; Y32-S51 WeakPolarHBondContact CA-O 3.28Å; V33-S51 PolarHBondContact N-O 3.42Å; V33-S51 PolarHBondContact O-N 3.13Å; S51-T85 WeakPolarHBondContact CB-OG1 3.28Å; S51-T85 WeakPolarHBondContact OG-CG2 3.13Å; S51-T85 PolarHBondContact OG-OG1 2.75Å; S51-Y538 PolarHBondContact OG-OH 2.83Å |
| 52 | I | 87.8 | Confident | 85.4 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 120.7 | 172.7 | -58.6 | 163 | 0 | 0 | 0 | 108.6 | E54 L55 L60 I62 F80 T83 G84 | I52-E54 WeakPolarHBondContact CG2-O 3.47Å; I52-L55 HydrophobicContact CD1-CD1 4.23Å; I52-L55 HydrophobicContact CG2-CB 4.39Å; I52-L55 HydrophobicContact CG2-CD1 4.05Å; I52-L60 HydrophobicContact CD1-CD2 3.68Å; I52-L60 HydrophobicContact CG1-CD2 4.25Å; I52-I62 HydrophobicContact CD1-CD1 4.03Å; I52-I62 HydrophobicContact CG1-CD1 4.39Å; I52-F80 HydrophobicContact CD1-CB 3.52Å; I52-F80 HydrophobicContact CD1-CD1 3.35Å; I52-F80 HydrophobicContact CD1-CD2 3.68Å; I52-F80 HydrophobicContact CD1-CE1 3.84Å; I52-F80 HydrophobicContact CD1-CE2 4.18Å; I52-F80 HydrophobicContact CD1-CG 3.23Å; I52-F80 HydrophobicContact CD1-CZ 4.24Å; I52-F80 HydrophobicContact CG1-CD1 4.37Å; I52-T83 WeakPolarHBondContact O-CB 3.25Å; I52-G84 PolarHBondContact N-O 3.23Å; I52-G84 PolarHBondContact O-N 3.48Å |
| 53 | F | 81.6 | Confident | 85.7 | Confident | 63 Ų | 63 | 43 Ų | 43 | 28% | 0.276 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -90.8 | -36.8 | -176 | -63.3 | -88.5 | 0 | 0 | 0 | 112.1 | S31 V33 T83 H495 Y538 I540 | S31-F53 PolarHBondContact O-N 2.81Å; V33-F53 HydrophobicContact CB-CE2 3.9Å; V33-F53 HydrophobicContact CG2-CE2 3.6Å; V33-F53 HydrophobicContact CG2-CZ 4.22Å; F53-T83 VanDerWaalsContact O-CG2 3.32Å; F53-T83 WeakPolarHBondContact O-CG2 3.08Å; F53-H495 AromaticContact CE1-CD2 3.62Å; F53-H495 AromaticContact CE1-CE1 3.79Å; F53-H495 AromaticContact CE1-NE2 3.27Å; F53-H495 VanDerWaalsContact CE1-NE2 3.27Å; F53-H495 WeakPolarHBondContact CE1-NE2 3.38Å; F53-Y538 HydrophobicContact CZ-CE2 4.03Å; F53-I540 HydrophobicContact CD1-CD1 3.97Å; F53-I540 HydrophobicContact CD2-CD1 3.63Å; F53-I540 HydrophobicContact CE1-CD1 3.74Å; F53-I540 HydrophobicContact CE1-CG1 4.38Å; F53-I540 HydrophobicContact CE2-CD1 3.45Å; F53-I540 VanDerWaalsContact CE2-CD1 3.45Å; F53-I540 HydrophobicContact CG-CD1 3.92Å; F53-I540 HydrophobicContact CZ-CD1 3.52Å; F53-I540 HydrophobicContact CZ-CG1 4.3Å |
| 54 | E | 78 | Confident | 86.1 | Confident | 92 Ų | 92 | 38.1 Ų | 38.1 | 43% | 0.43 | 18% | 0.177 | S | C | . | . | trans | -136.7 | 128.5 | -179.3 | -168.5 | 169.6 | -174.1 | 0 | 0 | 109.6 | T30 I52 L56 | T30-E54 VanDerWaalsContact CA-O 3.31Å; T30-E54 WeakPolarHBondContact CA-O 3.26Å; T30-E54 VanDerWaalsContact CB-O 3.3Å; T30-E54 WeakPolarHBondContact CB-O 3.23Å; T30-E54 WeakPolarHBondContact CG2-O 3.36Å; I52-E54 WeakPolarHBondContact CG2-O 3.47Å; E54-L56 HydrophobicContact CG-CG 4.44Å | ||
| 55 | L | 75 | Confident | 86.5 | Confident | 36 Ų | 36 | 37 Ų | 37 | 19% | 0.188 | 17% | 0.172 | C | C | . | . | trans | -122.9 | 100.2 | -175.5 | -163.9 | 116.1 | 0 | 0 | 0 | 108.1 | I52 Y57 L60 F80 T83 | I52-L55 HydrophobicContact CD1-CD1 4.23Å; I52-L55 HydrophobicContact CG2-CB 4.39Å; I52-L55 HydrophobicContact CG2-CD1 4.05Å; L55-Y57 WeakPolarHBondContact CD2-O 3.23Å; L55-L60 HydrophobicContact CD1-CB 4Å; L55-F80 HydrophobicContact CD1-CB 4.03Å; L55-T83 HydrophobicContact CB-CG2 3.81Å | ||
| 56 | L | 72.4 | Confident | 86.5 | Confident | 68 Ų | 68 | 33.8 Ų | 33.8 | 36% | 0.356 | 16% | 0.155 | S | C | . | . | trans | -87.8 | -16.1 | -175.7 | -53.7 | 118.2 | 0 | 0 | 0 | 113.2 | P28 T30 E54 | P28-L56 HydrophobicContact CB-CD2 4.48Å; P28-L56 HydrophobicContact CG-CD2 3.83Å; P28-L56 WeakPolarHBondContact O-CD1 3.49Å; P28-L56 VanDerWaalsContact O-CD2 3.23Å; P28-L56 WeakPolarHBondContact O-CD2 3.28Å; T30-L56 HydrophobicContact CG2-CD1 3.62Å; E54-L56 HydrophobicContact CG-CG 4.44Å | ||
| 57 | Y | 77.5 | Confident | 86.5 | Confident | 82 Ų | 82 | 35.2 Ų | 35.2 | 32% | 0.322 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -105.4 | 150.6 | 179.5 | -54.4 | -75.6 | 0 | 0 | 0 | 109.7 | T30 L55 Q59 I109 L116 | T30-Y57 HydrophobicContact CG2-CD2 4.08Å; T30-Y57 HydrophobicContact CG2-CE2 4.28Å; L55-Y57 WeakPolarHBondContact CD2-O 3.23Å; Y57-Q59 PolarHBondContact O-N 3.19Å; Y57-Q59 VanDerWaalsContact O-N 3.09Å; Y57-I109 HydrophobicContact CD1-CD1 3.82Å; Y57-I109 HydrophobicContact CD1-CG1 4.1Å; Y57-I109 HydrophobicContact CD1-CG2 4.19Å; Y57-I109 HydrophobicContact CD2-CD1 4.47Å; Y57-I109 HydrophobicContact CD2-CG1 4.14Å; Y57-I109 HydrophobicContact CE1-CD1 3.54Å; Y57-I109 HydrophobicContact CE1-CG1 4.22Å; Y57-I109 HydrophobicContact CE2-CD1 4.25Å; Y57-I109 HydrophobicContact CE2-CG1 4.27Å; Y57-I109 HydrophobicContact CG-CD1 4.27Å; Y57-I109 HydrophobicContact CG-CG1 4.06Å; Y57-I109 HydrophobicContact CG-CG2 4.24Å; Y57-L116 HydrophobicContact CD2-CD1 4.09Å; Y57-L116 HydrophobicContact CE2-CD1 3.89Å; Y57-L116 HydrophobicContact CE2-CD2 3.76Å; Y57-L116 HydrophobicContact CE2-CG 4.49Å |
| 58 | E | 77.4 | Confident | 86.2 | Confident | 184 Ų | 184 | 34.9 Ų | 34.9 | 86% | 0.86 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -54.8 | -31.5 | 178.3 | -68.2 | -172.7 | 165.1 | 0 | 0 | 113.3 | ||
| 59 | Q | 83.5 | Confident | 85.4 | Confident | 71 Ų | 71 | 39.9 Ų | 39.9 | 33% | 0.332 | 19% | 0.188 | S | C | . | . | trans | -147.6 | 142.2 | 175.3 | 60.7 | -177.7 | 6.7 | 0 | 0 | 111.3 | Y57 V79 F80 | Y57-Q59 PolarHBondContact O-N 3.19Å; Y57-Q59 VanDerWaalsContact O-N 3.09Å; Q59-V79 HydrophobicContact CB-CG1 3.84Å; Q59-F80 CarbonylContact C-O 3.53Å; Q59-F80 VanDerWaalsContact CA-O 3.27Å; Q59-F80 WeakPolarHBondContact CA-O 3.27Å | ||
| 60 | L | 86 | Confident | 84.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 119.7 | 170.5 | 180 | 67.7 | 0 | 0 | 0 | 109.1 | I52 L55 I62 F80 L116 F117 | I52-L60 HydrophobicContact CD1-CD2 3.68Å; I52-L60 HydrophobicContact CG1-CD2 4.25Å; L55-L60 HydrophobicContact CD1-CB 4Å; L60-I62 HydrophobicContact CD2-CD1 4.11Å; L60-I62 HydrophobicContact CD2-CG1 4.24Å; L60-I62 HydrophobicContact CG-CG1 4.21Å; L60-F80 HydrophobicContact CB-CB 4.4Å; L60-F80 PolarHBondContact N-O 3.22Å; L60-F80 PolarHBondContact O-N 2.65Å; L60-L116 HydrophobicContact CD1-CD1 3.29Å; L60-F117 HydrophobicContact CD2-CE1 4.46Å |
| 61 | T | 88.3 | Confident | 84.3 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 114.4 | 176.7 | -57.4 | 0 | 0 | 0 | 0 | 110 | R77 E78 V79 G107 S108 | T61-R77 HydrophobicContact CG2-CG 3.47Å; T61-R77 VanDerWaalsContact CG2-CG 3.47Å; T61-E78 CarbonylContact C-O 3.53Å; T61-E78 WeakPolarHBondContact CA-O 3.45Å; T61-V79 HydrophobicContact CG2-CG2 4.27Å; T61-G107 CarbonylContact O-C 3.51Å; T61-S108 WeakPolarHBondContact CA-O 3.44Å; T61-S108 WeakPolarHBondContact CB-O 3.23Å; T61-S108 PolarHBondContact N-O 3.37Å; T61-S108 PolarHBondContact O-N 3Å; T61-S108 PolarHBondContact O-OG 3.39Å; T61-S108 VanDerWaalsContact O-OG 3.12Å |
| 62 | I | 89.1 | Confident | 84 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 131.8 | 176 | -64.5 | 175.7 | 0 | 0 | 0 | 109 | V50 I52 L60 L64 R77 E78 F80 M88 E106 F117 | V50-I62 HydrophobicContact CG1-CD1 3.38Å; I52-I62 HydrophobicContact CD1-CD1 4.03Å; I52-I62 HydrophobicContact CG1-CD1 4.39Å; L60-I62 HydrophobicContact CD2-CD1 4.11Å; L60-I62 HydrophobicContact CD2-CG1 4.24Å; L60-I62 HydrophobicContact CG-CG1 4.21Å; I62-L64 HydrophobicContact CG2-CD2 4.27Å; I62-L64 HydrophobicContact CG2-CG 4.43Å; I62-R77 CarbonylContact O-C 3.56Å; I62-R77 VanDerWaalsContact O-CA 3.31Å; I62-R77 WeakPolarHBondContact O-CA 3.01Å; I62-E78 PolarHBondContact N-O 3.42Å; I62-E78 PolarHBondContact O-N 2.77Å; I62-F80 HydrophobicContact CB-CE2 4.34Å; I62-F80 HydrophobicContact CD1-CD2 4.02Å; I62-F80 HydrophobicContact CD1-CE2 3.77Å; I62-F80 HydrophobicContact CD1-CZ 4.49Å; I62-F80 HydrophobicContact CG1-CD2 4.34Å; I62-F80 HydrophobicContact CG1-CE2 4.29Å; I62-M88 HydrophobicContact CB-SD 4.32Å; I62-M88 HydrophobicContact CG2-SD 3.89Å; I62-E106 CarbonylContact C-O 3.5Å; I62-E106 WeakPolarHBondContact CA-O 3.21Å; I62-F117 HydrophobicContact CD1-CZ 4.44Å; I62-F117 HydrophobicContact CG1-CZ 4.44Å |
| 63 | R | 91.1 | Very high | 83.9 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 23% | 0.226 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 126.8 | 174.8 | -176.7 | -171.2 | 179.3 | -172.2 | -1.2 | 109.3 | E72 S76 E106 | R63-E72 IonicContact CZ-OE2 3.72Å; R63-E72 IonicContact NH2-OE1 2.82Å; R63-E72 PolarHBondContact NH2-OE1 3Å; R63-E72 IonicContact NH2-OE2 2.81Å; R63-E72 PolarHBondContact NH2-OE2 2.76Å; R63-S76 CarbonylContact C-O 3.54Å; R63-S76 WeakPolarHBondContact CA-O 3.39Å; R63-E106 HydrophobicContact CB-CB 4.38Å; R63-E106 WeakPolarHBondContact CD-OE2 3.4Å; R63-E106 PolarHBondContact N-O 2.96Å; R63-E106 IonicContact NH1-OE2 3.84Å; R63-E106 PolarHBondContact NH1-OE2 3.21Å; R63-E106 PolarHBondContact O-N 3.1Å |
| 64 | L | 92.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 136 | 172.9 | -57.3 | 175.5 | 0 | 0 | 0 | 108.4 | I48 I62 S75 S76 M88 L90 H104 V105 | I48-L64 HydrophobicContact CB-CD1 3.84Å; I48-L64 HydrophobicContact CD1-CD1 3.75Å; I48-L64 HydrophobicContact CG1-CD1 4.38Å; I48-L64 HydrophobicContact CG2-CD1 3.7Å; I62-L64 HydrophobicContact CG2-CD2 4.27Å; I62-L64 HydrophobicContact CG2-CG 4.43Å; L64-S75 CarbonylContact O-C 3.55Å; L64-S75 WeakPolarHBondContact O-CA 3.47Å; L64-S76 PolarHBondContact N-O 2.05Å; L64-S76 PolarHBondContact O-N 3.17Å; L64-M88 HydrophobicContact CB-CE 4.37Å; L64-M88 HydrophobicContact CD1-CB 3.49Å; L64-M88 VanDerWaalsContact CD1-CB 3.49Å; L64-M88 HydrophobicContact CD1-CE 3.76Å; L64-M88 HydrophobicContact CD1-CG 4.04Å; L64-M88 HydrophobicContact CD1-SD 3.47Å; L64-M88 WeakPolarHBondContact CD1-SD 2.97Å; L64-M88 HydrophobicContact CG-CE 3.77Å; L64-M88 HydrophobicContact CG-SD 3.82Å; L64-L90 HydrophobicContact CB-CD1 4.12Å; L64-H104 CarbonylContact C-O 3.6Å; L64-H104 WeakPolarHBondContact CA-O 3.5Å; L64-V105 HydrophobicContact CD2-CB 4.13Å; L64-V105 HydrophobicContact CD2-CG1 3.82Å; L64-V105 HydrophobicContact CD2-CG2 3.7Å |
| 65 | A | 92.4 | Very high | 85 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 141 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E72 I74 H104 | A65-E72 HydrophobicContact CB-CG 4.39Å; A65-I74 CarbonylContact C-O 3.56Å; A65-I74 WeakPolarHBondContact CA-O 3.35Å; A65-H104 HydrophobicContact CB-CB 4.36Å; A65-H104 PolarHBondContact N-O 2.9Å; A65-H104 WeakPolarHBondContact O-CB 3.41Å; A65-H104 PolarHBondContact O-N 2.96Å |
| 66 | I | 91.5 | Very high | 85.7 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 119.9 | 169.5 | -62.8 | 167.8 | 0 | 0 | 0 | 107.8 | I40 I73 I74 L90 V92 Y101 W102 L103 L123 | I40-I66 HydrophobicContact CD1-CG2 4.3Å; I66-I73 PolarHBondContact O-N 2.76Å; I66-I74 HydrophobicContact CB-CG2 3.74Å; I66-I74 HydrophobicContact CD1-CG2 3.95Å; I66-I74 HydrophobicContact CG1-CG2 4.09Å; I66-I74 PolarHBondContact N-O 3.2Å; I66-L90 HydrophobicContact CD1-CB 4.45Å; I66-L90 HydrophobicContact CD1-CD1 4.02Å; I66-L90 HydrophobicContact CG1-CD1 4.05Å; I66-V92 HydrophobicContact CD1-CG2 4.3Å; I66-Y101 HydrophobicContact CG2-CD1 3.81Å; I66-W102 CarbonylContact C-O 3.59Å; I66-W102 WeakPolarHBondContact CA-O 3.39Å; I66-L103 HydrophobicContact CG1-CD1 4.15Å; I66-L123 HydrophobicContact CD1-CD1 4.38Å; I66-L123 HydrophobicContact CG1-CD1 4.24Å; I66-L123 HydrophobicContact CG2-CD1 4.5Å |
| 67 | K | 90.4 | Very high | 86.6 | Confident | 35 Ų | 35 | 54.5 Ų | 54.5 | 15% | 0.152 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 137.1 | 178.5 | -67.7 | 176.5 | 179.4 | 178.4 | 0 | 109.6 | T71 E72 Y101 W102 H104 | K67-T71 CarbonylContact C-O 3.57Å; K67-T71 VanDerWaalsContact CA-O 3.26Å; K67-T71 WeakPolarHBondContact CA-O 3.45Å; K67-E72 HydrophobicContact CD-CG 4.12Å; K67-E72 VanDerWaalsContact CE-CG 3.43Å; K67-E72 WeakPolarHBondContact CE-OE1 3.45Å; K67-E72 HydrophobicContact CG-CB 4.48Å; K67-E72 HydrophobicContact CG-CG 3.65Å; K67-E72 IonicContact NZ-OE1 3.31Å; K67-Y101 CarbonylContact O-C 3.57Å; K67-Y101 WeakPolarHBondContact O-CA 3.3Å; K67-W102 HydrophobicContact CB-CB 4.33Å; K67-W102 PolarHBondContact N-O 3.14Å; K67-W102 PolarHBondContact O-N 2.65Å; K67-H104 HydrophobicContact CD-CB 4.17Å; K67-H104 PolarHBondContact NZ-CE1 3.01Å; K67-H104 PolarHBondContact NZ-ND1 3.12Å |
| 68 | V | 85.9 | Confident | 87.1 | Confident | 27 Ų | 27 | 52.9 Ų | 52.9 | 16% | 0.164 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 117.6 | 163.2 | 168 | 0 | 0 | 0 | 0 | 107.3 | S70 T71 I73 Y101 | V68-S70 VanDerWaalsContact C-N 3.25Å; V68-S70 PolarHBondContact O-N 2.85Å; V68-T71 PolarHBondContact N-O 2.89Å; V68-T71 PolarHBondContact O-N 3.24Å; V68-T71 PolarHBondContact O-OG1 3.23Å; V68-I73 HydrophobicContact CB-CD1 3.75Å; V68-I73 HydrophobicContact CB-CG1 4.27Å; V68-I73 HydrophobicContact CG2-CD1 3.2Å; V68-I73 HydrophobicContact CG2-CG1 4.08Å; V68-Y101 HydrophobicContact CG2-CD1 3.24Å; V68-Y101 HydrophobicContact CG2-CD2 4.36Å; V68-Y101 HydrophobicContact CG2-CE1 3.19Å; V68-Y101 HydrophobicContact CG2-CE2 4.3Å; V68-Y101 HydrophobicContact CG2-CG 3.87Å |
| 69 | N | 78 | Confident | 87.6 | Confident | 108 Ų | 108 | 46.9 Ų | 46.9 | 58% | 0.578 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | -82.8 | -169.9 | -53.9 | -25.9 | 0 | 0 | 0 | 112.1 | T100 | N69-T100 PolarHBondContact N-O 3.38Å; N69-T100 PolarHBondContact OD1-OG1 3.31Å |
| 70 | S | 77.2 | Confident | 87.8 | Confident | 108 Ų | 108 | 43.5 Ų | 43.5 | 76% | 0.755 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -133.6 | -9.8 | -179.8 | -46 | 0 | 0 | 0 | 0 | 113.3 | V68 | V68-S70 VanDerWaalsContact C-N 3.25Å; V68-S70 PolarHBondContact O-N 2.85Å |
| 71 | T | 84.7 | Confident | 87.8 | Confident | 95 Ų | 95 | 50.9 Ų | 50.9 | 58% | 0.583 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 126.2 | -177.9 | 53.3 | 0 | 0 | 0 | 0 | 110.7 | K67 V68 I73 | K67-T71 CarbonylContact C-O 3.57Å; K67-T71 VanDerWaalsContact CA-O 3.26Å; K67-T71 WeakPolarHBondContact CA-O 3.45Å; V68-T71 PolarHBondContact N-O 2.89Å; V68-T71 PolarHBondContact O-N 3.24Å; V68-T71 PolarHBondContact O-OG1 3.23Å; T71-I73 PolarHBondContact O-N 2.75Å |
| 72 | E | 85 | Confident | 87.6 | Confident | 81 Ų | 81 | 54 Ų | 54 | 38% | 0.379 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 120.7 | 172.3 | -70.5 | -179.1 | -172.4 | 0 | 0 | 110 | R63 A65 K67 | R63-E72 IonicContact CZ-OE2 3.72Å; R63-E72 IonicContact NH2-OE1 2.82Å; R63-E72 PolarHBondContact NH2-OE1 3Å; R63-E72 IonicContact NH2-OE2 2.81Å; R63-E72 PolarHBondContact NH2-OE2 2.76Å; A65-E72 HydrophobicContact CB-CG 4.39Å; K67-E72 HydrophobicContact CD-CG 4.12Å; K67-E72 VanDerWaalsContact CE-CG 3.43Å; K67-E72 WeakPolarHBondContact CE-OE1 3.45Å; K67-E72 HydrophobicContact CG-CB 4.48Å; K67-E72 HydrophobicContact CG-CG 3.65Å; K67-E72 IonicContact NZ-OE1 3.31Å |
| 73 | I | 85.9 | Confident | 87.4 | Confident | 46 Ų | 46 | 57.6 Ų | 57.6 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -42 | 175.9 | -65 | -167.4 | 0 | 0 | 0 | 110.5 | I66 V68 T71 P93 Y101 | I66-I73 PolarHBondContact O-N 2.76Å; V68-I73 HydrophobicContact CB-CD1 3.75Å; V68-I73 HydrophobicContact CB-CG1 4.27Å; V68-I73 HydrophobicContact CG2-CD1 3.2Å; V68-I73 HydrophobicContact CG2-CG1 4.08Å; T71-I73 PolarHBondContact O-N 2.75Å; I73-P93 HydrophobicContact CG2-CG 3.48Å; I73-P93 VanDerWaalsContact CG2-CG 3.48Å; I73-Y101 HydrophobicContact CD1-CE1 4.07Å |
| 74 | I | 89.9 | Confident | 87.1 | Confident | 33 Ų | 33 | 56.1 Ų | 56.1 | 17% | 0.169 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 146.8 | -179.5 | -176.6 | 159.1 | 0 | 0 | 0 | 110.1 | A65 I66 L90 K91 | A65-I74 CarbonylContact C-O 3.56Å; A65-I74 WeakPolarHBondContact CA-O 3.35Å; I66-I74 HydrophobicContact CB-CG2 3.74Å; I66-I74 HydrophobicContact CD1-CG2 3.95Å; I66-I74 HydrophobicContact CG1-CG2 4.09Å; I66-I74 PolarHBondContact N-O 3.2Å; I74-L90 HydrophobicContact CD1-CB 4.11Å; I74-L90 HydrophobicContact CD1-CD2 4.33Å; I74-L90 HydrophobicContact CG1-CB 4.45Å; I74-L90 HydrophobicContact CG1-CD2 3.89Å; I74-L90 HydrophobicContact CG2-CB 4.43Å; I74-L90 HydrophobicContact CG2-CD2 4.41Å; I74-K91 VanDerWaalsContact CD1-C 3.46Å; I74-K91 HydrophobicContact CD1-CB 4.28Å; I74-K91 WeakPolarHBondContact CD1-O 3.48Å |
| 75 | S | 90.8 | Very high | 86.8 | Confident | 67 Ų | 67 | 58 Ų | 58 | 47% | 0.469 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 150.7 | 170.4 | 67.2 | 0 | 0 | 0 | 0 | 111.7 | L64 | L64-S75 CarbonylContact O-C 3.55Å; L64-S75 WeakPolarHBondContact O-CA 3.47Å |
| 76 | S | 91.2 | Very high | 86.7 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 25% | 0.252 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 148.8 | 171.2 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | R63 L64 Q89 | R63-S76 CarbonylContact C-O 3.54Å; R63-S76 WeakPolarHBondContact CA-O 3.39Å; L64-S76 PolarHBondContact N-O 2.05Å; L64-S76 PolarHBondContact O-N 3.17Å; S76-Q89 WeakPolarHBondContact CB-O 3.47Å |
| 77 | R | 90.4 | Very high | 86.7 | Confident | 105 Ų | 105 | 64.1 Ų | 64.1 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 132 | -178.6 | -179.7 | -177.6 | -71.7 | -171.1 | -4.6 | 109.4 | T61 I62 N112 | T61-R77 HydrophobicContact CG2-CG 3.47Å; T61-R77 VanDerWaalsContact CG2-CG 3.47Å; I62-R77 CarbonylContact O-C 3.56Å; I62-R77 VanDerWaalsContact O-CA 3.31Å; I62-R77 WeakPolarHBondContact O-CA 3.01Å; R77-N112 PolarHBondContact NH1-OD1 3.34Å; R77-N112 PolarHBondContact NH2-OD1 2.01Å |
| 78 | E | 88.4 | Confident | 86.8 | Confident | 49 Ų | 49 | 62.6 Ų | 62.6 | 23% | 0.229 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 145.2 | 177.3 | -161.6 | 177.4 | 166.7 | 0 | 0 | 111.4 | T61 I62 F80 R86 M88 | T61-E78 CarbonylContact C-O 3.53Å; T61-E78 WeakPolarHBondContact CA-O 3.45Å; I62-E78 PolarHBondContact N-O 3.42Å; I62-E78 PolarHBondContact O-N 2.77Å; E78-F80 HydrophobicContact CB-CE2 4.37Å; E78-R86 WeakPolarHBondContact OE1-CD 3.33Å; E78-R86 IonicContact OE1-CZ 2.71Å; E78-R86 IonicContact OE1-NE 2.86Å; E78-R86 IonicContact OE1-NH1 2.83Å; E78-R86 PolarHBondContact OE1-NH1 2.92Å; E78-M88 HydrophobicContact CB-CE 3.86Å; E78-M88 HydrophobicContact CB-CG 4.24Å; E78-M88 HydrophobicContact CB-SD 4.07Å; E78-M88 VanDerWaalsContact OE2-CG 3.26Å; E78-M88 WeakPolarHBondContact OE2-CG 3.32Å |
| 79 | V | 88.6 | Confident | 87.1 | Confident | 57 Ų | 57 | 66.2 Ų | 66.2 | 35% | 0.345 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121 | 179.7 | -173.5 | 0 | 0 | 0 | 0 | 110 | Q59 T61 R86 | Q59-V79 HydrophobicContact CB-CG1 3.84Å; T61-V79 HydrophobicContact CG2-CG2 4.27Å; V79-R86 PolarHBondContact O-NH1 3.17Å |
| 80 | F | 86.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 116.8 | 175.8 | -70.5 | -100.7 | 0 | 0 | 0 | 109.7 | V50 I52 L55 Q59 L60 I62 E78 R86 | V50-F80 HydrophobicContact CB-CZ 3.96Å; V50-F80 HydrophobicContact CG1-CE1 4.35Å; V50-F80 HydrophobicContact CG1-CE2 3.92Å; V50-F80 HydrophobicContact CG1-CZ 3.53Å; I52-F80 HydrophobicContact CD1-CB 3.52Å; I52-F80 HydrophobicContact CD1-CD1 3.35Å; I52-F80 HydrophobicContact CD1-CD2 3.68Å; I52-F80 HydrophobicContact CD1-CE1 3.84Å; I52-F80 HydrophobicContact CD1-CE2 4.18Å; I52-F80 HydrophobicContact CD1-CG 3.23Å; I52-F80 HydrophobicContact CD1-CZ 4.24Å; I52-F80 HydrophobicContact CG1-CD1 4.37Å; L55-F80 HydrophobicContact CD1-CB 4.03Å; Q59-F80 CarbonylContact C-O 3.53Å; Q59-F80 VanDerWaalsContact CA-O 3.27Å; Q59-F80 WeakPolarHBondContact CA-O 3.27Å; L60-F80 HydrophobicContact CB-CB 4.4Å; L60-F80 PolarHBondContact N-O 3.22Å; L60-F80 PolarHBondContact O-N 2.65Å; I62-F80 HydrophobicContact CB-CE2 4.34Å; I62-F80 HydrophobicContact CD1-CD2 4.02Å; I62-F80 HydrophobicContact CD1-CE2 3.77Å; I62-F80 HydrophobicContact CD1-CZ 4.49Å; I62-F80 HydrophobicContact CG1-CD2 4.34Å; I62-F80 HydrophobicContact CG1-CE2 4.29Å; E78-F80 HydrophobicContact CB-CE2 4.37Å; F80-R86 HydrophobicContact CD1-CG 4.38Å; F80-R86 HydrophobicContact CE1-CB 3.83Å; F80-R86 HydrophobicContact CE1-CG 3.6Å; F80-R86 HydrophobicContact CZ-CB 3.89Å; F80-R86 HydrophobicContact CZ-CG 4.14Å |
| 81 | K | 85.7 | Confident | 88.4 | Confident | 156 Ų | 156 | 62 Ų | 62 | 68% | 0.678 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -100.4 | -5.5 | 175.9 | -61.9 | -177 | 178.4 | -176.8 | 0 | 113.1 | ||
| 82 | S | 84.7 | Confident | 88.6 | Confident | 67 Ų | 67 | 57.6 Ų | 57.6 | 47% | 0.469 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -150.6 | 153.7 | -178.6 | 67.6 | 0 | 0 | 0 | 0 | 108.7 | ||
| 83 | T | 84 | Confident | 88.7 | Confident | 76 Ų | 76 | 54.8 Ų | 54.8 | 47% | 0.466 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -57 | 148.1 | 167 | 56.6 | 0 | 0 | 0 | 0 | 110.5 | I52 F53 L55 | I52-T83 WeakPolarHBondContact O-CB 3.25Å; F53-T83 VanDerWaalsContact O-CG2 3.32Å; F53-T83 WeakPolarHBondContact O-CG2 3.08Å; L55-T83 HydrophobicContact CB-CG2 3.81Å |
| 84 | G | 84.9 | Confident | 88.5 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.6 | 173.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I52 | I52-G84 PolarHBondContact N-O 3.23Å; I52-G84 PolarHBondContact O-N 3.48Å |
| 85 | T | 87.7 | Confident | 88.2 | Confident | 40 Ų | 40 | 63.2 Ų | 63.2 | 25% | 0.245 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 135.2 | 174.4 | -56.7 | 0 | 0 | 0 | 0 | 109.6 | V50 S51 T507 | V50-T85 CarbonylContact O-C 3.54Å; V50-T85 WeakPolarHBondContact O-CA 3.44Å; S51-T85 WeakPolarHBondContact CB-OG1 3.28Å; S51-T85 WeakPolarHBondContact OG-CG2 3.13Å; S51-T85 PolarHBondContact OG-OG1 2.75Å; T85-T507 HydrophobicContact CG2-CG2 3.55Å; T85-T507 WeakPolarHBondContact CG2-OG1 3.49Å |
| 86 | R | 89.5 | Confident | 87.7 | Confident | 79 Ų | 79 | 60.2 Ų | 60.2 | 30% | 0.298 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 156.9 | 177 | -60.2 | -172.1 | -171.8 | 170.7 | 1.9 | 110.9 | V50 E78 V79 F80 | V50-R86 PolarHBondContact N-O 3.48Å; V50-R86 PolarHBondContact O-N 2.71Å; E78-R86 WeakPolarHBondContact OE1-CD 3.33Å; E78-R86 IonicContact OE1-CZ 2.71Å; E78-R86 IonicContact OE1-NE 2.86Å; E78-R86 IonicContact OE1-NH1 2.83Å; E78-R86 PolarHBondContact OE1-NH1 2.92Å; V79-R86 PolarHBondContact O-NH1 3.17Å; F80-R86 HydrophobicContact CD1-CG 4.38Å; F80-R86 HydrophobicContact CE1-CB 3.83Å; F80-R86 HydrophobicContact CE1-CG 3.6Å; F80-R86 HydrophobicContact CZ-CB 3.89Å; F80-R86 HydrophobicContact CZ-CG 4.14Å |
| 87 | I | 91.4 | Very high | 87.1 | Confident | 53 Ų | 53 | 67.8 Ų | 67.8 | 27% | 0.272 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 118.5 | 175.7 | -59.7 | 177.2 | 0 | 0 | 0 | 108.7 | Q47 I48 T507 | Q47-I87 HydrophobicContact CB-CG2 3.73Å; Q47-I87 HydrophobicContact CG-CG2 4.17Å; I48-I87 CarbonylContact O-C 3.56Å; I48-I87 WeakPolarHBondContact O-CA 3.06Å; I87-T507 HydrophobicContact CD1-CG2 3.86Å; I87-T507 HydrophobicContact CG1-CG2 3.48Å; I87-T507 VanDerWaalsContact CG1-CG2 3.48Å |
| 88 | M | 92.9 | Very high | 86.5 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 143.8 | 170.4 | -67.7 | -175.9 | 70.2 | 0 | 0 | 110.2 | I48 V50 I62 L64 E78 | I48-M88 PolarHBondContact N-O 3.37Å; I48-M88 PolarHBondContact O-N 2.89Å; V50-M88 HydrophobicContact CG2-CG 4.15Å; V50-M88 HydrophobicContact CG2-SD 3.91Å; I62-M88 HydrophobicContact CB-SD 4.32Å; I62-M88 HydrophobicContact CG2-SD 3.89Å; L64-M88 HydrophobicContact CB-CE 4.37Å; L64-M88 HydrophobicContact CD1-CB 3.49Å; L64-M88 VanDerWaalsContact CD1-CB 3.49Å; L64-M88 HydrophobicContact CD1-CE 3.76Å; L64-M88 HydrophobicContact CD1-CG 4.04Å; L64-M88 HydrophobicContact CD1-SD 3.47Å; L64-M88 WeakPolarHBondContact CD1-SD 2.97Å; L64-M88 HydrophobicContact CG-CE 3.77Å; L64-M88 HydrophobicContact CG-SD 3.82Å; E78-M88 HydrophobicContact CB-CE 3.86Å; E78-M88 HydrophobicContact CB-CG 4.24Å; E78-M88 HydrophobicContact CB-SD 4.07Å; E78-M88 VanDerWaalsContact OE2-CG 3.26Å; E78-M88 WeakPolarHBondContact OE2-CG 3.32Å |
| 89 | Q | 91.9 | Very high | 86 | Confident | 104 Ų | 104 | 67.1 Ų | 67.1 | 49% | 0.486 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 139.2 | -175.4 | -62.4 | 179.1 | -8.8 | 0 | 0 | 112.2 | L45 V46 S76 | L45-Q89 HydrophobicContact CD1-CB 4.14Å; V46-Q89 WeakPolarHBondContact O-CA 3.13Å; S76-Q89 WeakPolarHBondContact CB-O 3.47Å |
| 90 | L | 91.6 | Very high | 85.9 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 116.1 | 174.7 | -63.6 | 168.6 | 0 | 0 | 0 | 109.6 | V46 I48 L64 I66 I74 L103 | V46-L90 HydrophobicContact CB-CB 4.4Å; V46-L90 PolarHBondContact N-O 2.72Å; V46-L90 PolarHBondContact O-N 2.78Å; I48-L90 HydrophobicContact CD1-CD1 3.66Å; L64-L90 HydrophobicContact CB-CD1 4.12Å; I66-L90 HydrophobicContact CD1-CB 4.45Å; I66-L90 HydrophobicContact CD1-CD1 4.02Å; I66-L90 HydrophobicContact CG1-CD1 4.05Å; I74-L90 HydrophobicContact CD1-CB 4.11Å; I74-L90 HydrophobicContact CD1-CD2 4.33Å; I74-L90 HydrophobicContact CG1-CB 4.45Å; I74-L90 HydrophobicContact CG1-CD2 3.89Å; I74-L90 HydrophobicContact CG2-CB 4.43Å; I74-L90 HydrophobicContact CG2-CD2 4.41Å; L90-L103 HydrophobicContact CD1-CD1 4.4Å |
| 91 | K | 90.3 | Very high | 86.1 | Confident | 125 Ų | 125 | 67.4 Ų | 67.4 | 54% | 0.543 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 106.9 | 174.3 | -173.7 | 173.9 | -177.8 | 174.8 | 0 | 112.6 | L45 I74 | L45-K91 HydrophobicContact CD1-CB 4.03Å; I74-K91 VanDerWaalsContact CD1-C 3.46Å; I74-K91 HydrophobicContact CD1-CB 4.28Å; I74-K91 WeakPolarHBondContact CD1-O 3.48Å |
| 92 | V | 88.8 | Confident | 86.3 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | trans | -66.7 | 131.7 | 177.7 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | I40 R41 N43 E44 V46 I66 A96 | I40-V92 HydrophobicContact CB-CG2 4.36Å; R41-V92 WeakPolarHBondContact O-CB 3.37Å; R41-V92 WeakPolarHBondContact O-CG1 3.43Å; N43-V92 WeakPolarHBondContact CA-O 3.37Å; N43-V92 PolarHBondContact N-O 3.47Å; N43-V92 VanDerWaalsContact N-O 3.15Å; E44-V92 PolarHBondContact O-N 2.88Å; V46-V92 HydrophobicContact CG2-CG2 3.71Å; I66-V92 HydrophobicContact CD1-CG2 4.3Å; V92-A96 HydrophobicContact CG1-CB 3.77Å | ||
| 93 | P | 87.8 | Confident | 86.6 | Confident | 23 Ų | 23 | 60.8 Ų | 60.8 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | trans | -62.8 | 152.5 | 178.3 | -23.3 | 33.9 | 0 | 0 | 0 | 113.8 | I73 Y95 A96 | I73-P93 HydrophobicContact CG2-CG 3.48Å; I73-P93 VanDerWaalsContact CG2-CG 3.48Å; P93-Y95 VanDerWaalsContact C-N 3.27Å; P93-Y95 HydrophobicContact CB-CD1 3.72Å; P93-Y95 HydrophobicContact CB-CD2 4.25Å; P93-Y95 HydrophobicContact CB-CE1 3.33Å; P93-Y95 HydrophobicContact CB-CE2 3.89Å; P93-Y95 HydrophobicContact CB-CG 4.16Å; P93-Y95 VanDerWaalsContact CB-CZ 3.42Å; P93-Y95 HydrophobicContact CG-CE1 4.09Å; P93-Y95 HydrophobicContact CG-CE2 4.26Å; P93-Y95 PolarHBondContact O-N 2.86Å; P93-A96 VanDerWaalsContact O-CB 3.28Å; P93-A96 WeakPolarHBondContact O-CB 3.14Å; P93-A96 PolarHBondContact O-N 2.78Å | ||
| 94 | N | 81.8 | Confident | 87 | Confident | 107 Ų | 107 | 58.2 Ų | 58.2 | 57% | 0.572 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -27.3 | 177.6 | 62.3 | -13.9 | 0 | 0 | 0 | 113.7 | N43 A96 R215 | N43-N94 HydrophobicContact CB-CB 4.36Å; N94-A96 PolarHBondContact O-N 2.75Å; N94-R215 PolarHBondContact O-NH2 3.25Å; N94-R215 VanDerWaalsContact O-NH2 3.11Å |
| 95 | Y | 83.9 | Confident | 87.3 | Confident | 149 Ų | 149 | 56.9 Ų | 56.9 | 58% | 0.584 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 4.9 | 177.5 | 61.1 | -101.5 | 0 | 0 | 0 | 113.7 | P93 R97 | P93-Y95 VanDerWaalsContact C-N 3.27Å; P93-Y95 HydrophobicContact CB-CD1 3.72Å; P93-Y95 HydrophobicContact CB-CD2 4.25Å; P93-Y95 HydrophobicContact CB-CE1 3.33Å; P93-Y95 HydrophobicContact CB-CE2 3.89Å; P93-Y95 HydrophobicContact CB-CG 4.16Å; P93-Y95 VanDerWaalsContact CB-CZ 3.42Å; P93-Y95 HydrophobicContact CG-CE1 4.09Å; P93-Y95 HydrophobicContact CG-CE2 4.26Å; P93-Y95 PolarHBondContact O-N 2.86Å; Y95-R97 PolarHBondContact O-N 2.83Å |
| 96 | A | 79.8 | Confident | 87.4 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 3% | 0.033 | 27% | 0.271 | C | S | . | . | trans | -58.1 | 130.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A42 V92 P93 N94 Y101 F125 R215 | A42-A96 HydrophobicContact CB-CB 4.2Å; V92-A96 HydrophobicContact CG1-CB 3.77Å; P93-A96 VanDerWaalsContact O-CB 3.28Å; P93-A96 WeakPolarHBondContact O-CB 3.14Å; P93-A96 PolarHBondContact O-N 2.78Å; N94-A96 PolarHBondContact O-N 2.75Å; A96-Y101 WeakPolarHBondContact CB-OH 3.15Å; A96-F125 HydrophobicContact CB-CE2 3.63Å; A96-F125 HydrophobicContact CB-CZ 4.02Å; A96-F125 WeakPolarHBondContact O-CZ 3.41Å; A96-R215 PolarHBondContact O-NH1 3.42Å; A96-R215 VanDerWaalsContact O-NH1 3.12Å | ||
| 97 | R | 78.5 | Confident | 87.3 | Confident | 195 Ų | 195 | 52.8 Ų | 52.8 | 74% | 0.736 | 26% | 0.257 | S | S | * | . | trans | -120.6 | 170.2 | -177.2 | -64.1 | -175 | -178.7 | -168.4 | -2.4 | 111.4 | Y95 G99 Y101 | Y95-R97 PolarHBondContact O-N 2.83Å; R97-G99 PolarHBondContact O-N 3.22Å; R97-Y101 PolarHBondContact N-OH 3Å; R97-Y101 WeakPolarHBondContact O-CE2 3.41Å; R97-Y101 PolarHBondContact O-OH 2.89Å | ||
| 98 | T | 77.8 | Confident | 87.1 | Confident | 98 Ų | 98 | 50.8 Ų | 50.8 | 60% | 0.601 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -54.1 | 125.9 | 169.4 | 23.5 | 0 | 0 | 0 | 0 | 111.4 | F125 E127 | T98-F125 HydrophobicContact CG2-CD1 4.19Å; T98-E127 HydrophobicContact CG2-CG 3.9Å; T98-E127 WeakPolarHBondContact CG2-OE1 3.44Å; T98-E127 PolarHBondContact OG1-OE1 2.85Å; T98-E127 VanDerWaalsContact OG1-OE1 3.09Å |
| 99 | G | 78.7 | Confident | 86.4 | Confident | 42 Ų | 42 | 52.7 Ų | 52.7 | 43% | 0.433 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 178.2 | 174.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R97 Y101 | R97-G99 PolarHBondContact O-N 3.22Å; G99-Y101 VanDerWaalsContact O-CD2 3.31Å; G99-Y101 WeakPolarHBondContact O-CD2 3.37Å; G99-Y101 PolarHBondContact O-N 3.14Å |
| 100 | T | 85.6 | Confident | 85.3 | Confident | 55 Ų | 55 | 51.1 Ų | 51.1 | 34% | 0.337 | 26% | 0.255 | S | S | . | . | trans | -89.7 | 103 | 175.9 | 47.7 | 0 | 0 | 0 | 0 | 110.5 | N69 | N69-T100 PolarHBondContact N-O 3.38Å; N69-T100 PolarHBondContact OD1-OG1 3.31Å | ||
| 101 | Y | 89.9 | Confident | 83.7 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 143.5 | 175.9 | -67.4 | -100.1 | 0 | 0 | 0 | 110.1 | I40 I66 K67 V68 I73 A96 R97 G99 K122 L123 F125 | I40-Y101 HydrophobicContact CD1-CD1 3.56Å; I40-Y101 HydrophobicContact CD1-CD2 4.37Å; I40-Y101 HydrophobicContact CD1-CE1 4.16Å; I40-Y101 HydrophobicContact CD1-CG 3.69Å; I66-Y101 HydrophobicContact CG2-CD1 3.81Å; K67-Y101 CarbonylContact O-C 3.57Å; K67-Y101 WeakPolarHBondContact O-CA 3.3Å; V68-Y101 HydrophobicContact CG2-CD1 3.24Å; V68-Y101 HydrophobicContact CG2-CD2 4.36Å; V68-Y101 HydrophobicContact CG2-CE1 3.19Å; V68-Y101 HydrophobicContact CG2-CE2 4.3Å; V68-Y101 HydrophobicContact CG2-CG 3.87Å; I73-Y101 HydrophobicContact CD1-CE1 4.07Å; A96-Y101 WeakPolarHBondContact CB-OH 3.15Å; R97-Y101 PolarHBondContact N-OH 3Å; R97-Y101 WeakPolarHBondContact O-CE2 3.41Å; R97-Y101 PolarHBondContact O-OH 2.89Å; G99-Y101 VanDerWaalsContact O-CD2 3.31Å; G99-Y101 WeakPolarHBondContact O-CD2 3.37Å; G99-Y101 PolarHBondContact O-N 3.14Å; Y101-K122 WeakPolarHBondContact O-CA 3.45Å; Y101-L123 PolarHBondContact O-N 2.82Å; Y101-F125 HydrophobicContact CD2-CB 3.61Å; Y101-F125 HydrophobicContact CD2-CD2 4.2Å; Y101-F125 HydrophobicContact CD2-CG 4.12Å; Y101-F125 HydrophobicContact CE2-CB 3.54Å; Y101-F125 HydrophobicContact CE2-CD1 4.33Å; Y101-F125 AromaticContact CE2-CD2 3.56Å; Y101-F125 HydrophobicContact CE2-CD2 3.56Å; Y101-F125 HydrophobicContact CE2-CE2 4.37Å; Y101-F125 AromaticContact CE2-CG 3.54Å; Y101-F125 HydrophobicContact CE2-CG 3.54Å; Y101-F125 AromaticContact CZ-CD2 3.76Å |
| 102 | W | 91.4 | Very high | 82.2 | Confident | 80 Ų | 80 | 54.5 Ų | 54.5 | 30% | 0.303 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 130 | 179.5 | -60.7 | 90.3 | 0 | 0 | 0 | 109.6 | I66 K67 L120 T121 K122 | I66-W102 CarbonylContact C-O 3.59Å; I66-W102 WeakPolarHBondContact CA-O 3.39Å; K67-W102 HydrophobicContact CB-CB 4.33Å; K67-W102 PolarHBondContact N-O 3.14Å; K67-W102 PolarHBondContact O-N 2.65Å; W102-L120 HydrophobicContact CB-CD1 4.37Å; W102-L120 HydrophobicContact CB-CD2 4.42Å; W102-L120 HydrophobicContact CB-CG 4.24Å; W102-L120 HydrophobicContact CD2-CD2 3.75Å; W102-L120 HydrophobicContact CD2-CG 4.5Å; W102-L120 HydrophobicContact CE3-CD2 3.12Å; W102-L120 HydrophobicContact CE3-CG 4Å; W102-L120 HydrophobicContact CG-CD2 4.32Å; W102-L120 HydrophobicContact CH2-CD2 4.42Å; W102-L120 HydrophobicContact CZ3-CD2 3.51Å; W102-T121 CarbonylContact C-O 3.59Å; W102-T121 WeakPolarHBondContact CA-O 3.47Å; W102-K122 HydrophobicContact CE3-CB 4.02Å; W102-K122 HydrophobicContact CH2-CB 4.45Å; W102-K122 HydrophobicContact CZ3-CB 3.97Å |
| 103 | L | 91.4 | Very high | 80.6 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 122.2 | 169.2 | -177.6 | 60.6 | 0 | 0 | 0 | 109 | A36 I48 I66 L90 V105 L120 T121 L123 F665 | A36-L103 HydrophobicContact CB-CD2 3.33Å; I48-L103 HydrophobicContact CD1-CD1 3.9Å; I48-L103 HydrophobicContact CD1-CD2 4.2Å; I66-L103 HydrophobicContact CG1-CD1 4.15Å; L90-L103 HydrophobicContact CD1-CD1 4.4Å; L103-V105 HydrophobicContact CG-CG2 4.2Å; L103-L120 VanDerWaalsContact O-CA 3.29Å; L103-L120 WeakPolarHBondContact O-CA 3.12Å; L103-T121 PolarHBondContact N-O 2.75Å; L103-T121 PolarHBondContact O-N 2.84Å; L103-L123 HydrophobicContact CB-CD1 3.92Å; L103-L123 HydrophobicContact CB-CD2 4.14Å; L103-L123 HydrophobicContact CB-CG 3.96Å; L103-F665 HydrophobicContact CD2-CE2 3.95Å; L103-F665 HydrophobicContact CD2-CZ 4.5Å |
| 104 | H | 92 | Very high | 79.8 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 10% | 0.102 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125.1 | 179.3 | -174.3 | -121 | 0 | 0 | 0 | 109.6 | L64 A65 K67 E106 N119 | L64-H104 CarbonylContact C-O 3.6Å; L64-H104 WeakPolarHBondContact CA-O 3.5Å; A65-H104 HydrophobicContact CB-CB 4.36Å; A65-H104 PolarHBondContact N-O 2.9Å; A65-H104 WeakPolarHBondContact O-CB 3.41Å; A65-H104 PolarHBondContact O-N 2.96Å; K67-H104 HydrophobicContact CD-CB 4.17Å; K67-H104 PolarHBondContact NZ-CE1 3.01Å; K67-H104 PolarHBondContact NZ-ND1 3.12Å; H104-E106 VanDerWaalsContact CE1-CG 3.45Å; H104-E106 WeakPolarHBondContact CE1-CG 3.3Å; H104-E106 IonicContact CE1-OE1 2.71Å; H104-E106 PolarHBondContact CE1-OE1 3.09Å; H104-E106 IonicContact ND1-OE1 3.87Å; H104-E106 IonicContact NE2-OE1 3.69Å; H104-N119 WeakPolarHBondContact CA-O 3.47Å |
| 105 | V | 90.4 | Very high | 79.5 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.9 | -176.8 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | I34 L64 L103 F117 S118 N119 F665 | I34-V105 HydrophobicContact CD1-CG1 3.52Å; L64-V105 HydrophobicContact CD2-CB 4.13Å; L64-V105 HydrophobicContact CD2-CG1 3.82Å; L64-V105 HydrophobicContact CD2-CG2 3.7Å; L103-V105 HydrophobicContact CG-CG2 4.2Å; V105-F117 HydrophobicContact CG1-CE2 4.21Å; V105-S118 CarbonylContact O-C 3.56Å; V105-S118 WeakPolarHBondContact O-CA 3.46Å; V105-N119 PolarHBondContact N-O 3.43Å; V105-N119 PolarHBondContact O-N 3.26Å; V105-F665 HydrophobicContact CG2-CD2 4.41Å; V105-F665 HydrophobicContact CG2-CE2 4.09Å; V105-F665 HydrophobicContact CG2-CZ 4.2Å |
| 106 | E | 89.4 | Confident | 79.2 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 15% | 0.15 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 131.4 | 177.2 | -57.7 | -178.9 | 138.6 | 0 | 0 | 110.7 | I62 R63 H104 F117 | I62-E106 CarbonylContact C-O 3.5Å; I62-E106 WeakPolarHBondContact CA-O 3.21Å; R63-E106 HydrophobicContact CB-CB 4.38Å; R63-E106 WeakPolarHBondContact CD-OE2 3.4Å; R63-E106 PolarHBondContact N-O 2.96Å; R63-E106 IonicContact NH1-OE2 3.84Å; R63-E106 PolarHBondContact NH1-OE2 3.21Å; R63-E106 PolarHBondContact O-N 3.1Å; H104-E106 VanDerWaalsContact CE1-CG 3.45Å; H104-E106 WeakPolarHBondContact CE1-CG 3.3Å; H104-E106 IonicContact CE1-OE1 2.71Å; H104-E106 PolarHBondContact CE1-OE1 3.09Å; H104-E106 IonicContact ND1-OE1 3.87Å; H104-E106 IonicContact NE2-OE1 3.69Å; E106-F117 WeakPolarHBondContact CA-O 3.37Å |
| 107 | G | 87.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 137.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T61 I115 L116 F117 | T61-G107 CarbonylContact O-C 3.51Å; G107-I115 CarbonylContact O-C 3.24Å; G107-I115 WeakPolarHBondContact O-CA 3.01Å; G107-L116 PolarHBondContact O-N 2.85Å; G107-F117 PolarHBondContact N-O 3.08Å |
| 108 | S | 87 | Confident | 79.9 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 147.5 | -178 | 57.8 | 0 | 0 | 0 | 0 | 113 | T61 S114 | T61-S108 WeakPolarHBondContact CA-O 3.44Å; T61-S108 WeakPolarHBondContact CB-O 3.23Å; T61-S108 PolarHBondContact N-O 3.37Å; T61-S108 PolarHBondContact O-N 3Å; T61-S108 PolarHBondContact O-OG 3.39Å; T61-S108 VanDerWaalsContact O-OG 3.12Å; S108-S114 WeakPolarHBondContact CA-O 3.4Å; S108-S114 WeakPolarHBondContact CB-O 3.38Å |
| 109 | I | 78.2 | Confident | 80.3 | Confident | 42 Ų | 42 | 48.8 Ų | 48.8 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -76.7 | -47.6 | -178 | -56.4 | 167 | 0 | 0 | 0 | 110.8 | Y57 S114 L116 | Y57-I109 HydrophobicContact CD1-CD1 3.82Å; Y57-I109 HydrophobicContact CD1-CG1 4.1Å; Y57-I109 HydrophobicContact CD1-CG2 4.19Å; Y57-I109 HydrophobicContact CD2-CD1 4.47Å; Y57-I109 HydrophobicContact CD2-CG1 4.14Å; Y57-I109 HydrophobicContact CE1-CD1 3.54Å; Y57-I109 HydrophobicContact CE1-CG1 4.22Å; Y57-I109 HydrophobicContact CE2-CD1 4.25Å; Y57-I109 HydrophobicContact CE2-CG1 4.27Å; Y57-I109 HydrophobicContact CG-CD1 4.27Å; Y57-I109 HydrophobicContact CG-CG1 4.06Å; Y57-I109 HydrophobicContact CG-CG2 4.24Å; I109-S114 PolarHBondContact N-O 2.64Å; I109-L116 HydrophobicContact CD1-CD1 4.49Å; I109-L116 HydrophobicContact CD1-CD2 4.09Å; I109-L116 HydrophobicContact CD1-CG 4.39Å; I109-L116 HydrophobicContact CG1-CD1 3.62Å; I109-L116 HydrophobicContact CG1-CD2 4.1Å; I109-L116 HydrophobicContact CG1-CG 3.89Å |
| 110 | V | 68.9 | Low | 80.8 | Confident | 70 Ų | 70 | 50.5 Ų | 50.5 | 42% | 0.424 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -120.5 | 136.3 | 178.4 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | N112 A113 | V110-N112 PolarHBondContact O-N 3.45Å; V110-A113 HydrophobicContact CB-CB 4.48Å; V110-A113 PolarHBondContact O-N 3.08Å; V110-A113 VanDerWaalsContact O-N 3.09Å |
| 111 | S | 57.8 | Low | 80.9 | Confident | 67 Ų | 67 | 49.3 Ų | 49.3 | 47% | 0.469 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 107.8 | 177.3 | 48.5 | 0 | 0 | 0 | 0 | 110.5 | ||
| 112 | N | 59 | Low | 80.8 | Confident | 131 Ų | 131 | 54.8 Ų | 54.8 | 70% | 0.701 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 17.1 | 177.4 | -54.1 | -12.7 | 0 | 0 | 0 | 118.5 | R77 V110 | R77-N112 PolarHBondContact NH1-OD1 3.34Å; R77-N112 PolarHBondContact NH2-OD1 2.01Å; V110-N112 PolarHBondContact O-N 3.45Å |
| 113 | A | 57 | Low | 80.7 | Confident | 79 Ų | 79 | 51.2 Ų | 51.2 | 65% | 0.653 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.6 | 0.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | V110 | V110-A113 HydrophobicContact CB-CB 4.48Å; V110-A113 PolarHBondContact O-N 3.08Å; V110-A113 VanDerWaalsContact O-N 3.09Å |
| 114 | S | 69.8 | Low | 80.4 | Confident | 52 Ų | 52 | 53.2 Ų | 53.2 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | trans | -169.3 | 114.8 | 167.5 | 47.6 | 0 | 0 | 0 | 0 | 111.6 | S108 I109 | S108-S114 WeakPolarHBondContact CA-O 3.4Å; S108-S114 WeakPolarHBondContact CB-O 3.38Å; I109-S114 PolarHBondContact N-O 2.64Å | ||
| 115 | I | 74.9 | Confident | 80.1 | Confident | 105 Ų | 105 | 53.8 Ų | 53.8 | 54% | 0.538 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 120.9 | 177.5 | -58.1 | 173 | 0 | 0 | 0 | 108.7 | G107 F117 | G107-I115 CarbonylContact O-C 3.24Å; G107-I115 WeakPolarHBondContact O-CA 3.01Å; I115-F117 WeakPolarHBondContact CG2-O 3.4Å |
| 116 | L | 79 | Confident | 79.8 | Confident | 45 Ų | 45 | 54.3 Ų | 54.3 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -42.8 | 176.4 | -76 | 166 | 0 | 0 | 0 | 112.1 | Y57 L60 G107 I109 | Y57-L116 HydrophobicContact CD2-CD1 4.09Å; Y57-L116 HydrophobicContact CE2-CD1 3.89Å; Y57-L116 HydrophobicContact CE2-CD2 3.76Å; Y57-L116 HydrophobicContact CE2-CG 4.49Å; L60-L116 HydrophobicContact CD1-CD1 3.29Å; G107-L116 PolarHBondContact O-N 2.85Å; I109-L116 HydrophobicContact CD1-CD1 4.49Å; I109-L116 HydrophobicContact CD1-CD2 4.09Å; I109-L116 HydrophobicContact CD1-CG 4.39Å; I109-L116 HydrophobicContact CG1-CD1 3.62Å; I109-L116 HydrophobicContact CG1-CD2 4.1Å; I109-L116 HydrophobicContact CG1-CG 3.89Å |
| 117 | F | 84.8 | Confident | 79.2 | Confident | 24 Ų | 24 | 56.2 Ų | 56.2 | 11% | 0.105 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 148.1 | 176.8 | 59 | -94.5 | 0 | 0 | 0 | 109.8 | Y32 I34 L60 I62 V105 E106 G107 I115 | Y32-F117 AromaticContact CD1-CD1 3.99Å; Y32-F117 HydrophobicContact CD1-CD1 3.99Å; Y32-F117 AromaticContact CD1-CE1 3.73Å; Y32-F117 HydrophobicContact CD1-CE1 3.73Å; Y32-F117 HydrophobicContact CD1-CG 4.48Å; Y32-F117 HydrophobicContact CD1-CZ 4.01Å; Y32-F117 HydrophobicContact CD2-CE2 4.2Å; Y32-F117 HydrophobicContact CD2-CZ 4.18Å; Y32-F117 HydrophobicContact CE1-CB 4.23Å; Y32-F117 AromaticContact CE1-CD1 3.5Å; Y32-F117 HydrophobicContact CE1-CD1 3.5Å; Y32-F117 VanDerWaalsContact CE1-CD1 3.5Å; Y32-F117 AromaticContact CE1-CD2 3.98Å; Y32-F117 HydrophobicContact CE1-CD2 3.98Å; Y32-F117 AromaticContact CE1-CE1 3.71Å; Y32-F117 HydrophobicContact CE1-CE1 3.71Å; Y32-F117 HydrophobicContact CE1-CE2 4.18Å; Y32-F117 AromaticContact CE1-CG 3.64Å; Y32-F117 HydrophobicContact CE1-CG 3.64Å; Y32-F117 HydrophobicContact CE1-CZ 4.05Å; Y32-F117 AromaticContact CE2-CD2 3.98Å; Y32-F117 HydrophobicContact CE2-CD2 3.98Å; Y32-F117 AromaticContact CE2-CE2 3.84Å; Y32-F117 HydrophobicContact CE2-CE2 3.84Å; Y32-F117 HydrophobicContact CE2-CG 4.47Å; Y32-F117 HydrophobicContact CE2-CZ 4.22Å; Y32-F117 HydrophobicContact CG-CE1 4.24Å; Y32-F117 HydrophobicContact CG-CZ 4.08Å; Y32-F117 AromaticContact CZ-CD1 3.98Å; Y32-F117 AromaticContact CZ-CD2 3.56Å; Y32-F117 AromaticContact CZ-CE2 3.83Å; Y32-F117 AromaticContact CZ-CG 3.64Å; I34-F117 HydrophobicContact CD1-CE2 4.08Å; I34-F117 HydrophobicContact CD1-CZ 4.45Å; L60-F117 HydrophobicContact CD2-CE1 4.46Å; I62-F117 HydrophobicContact CD1-CZ 4.44Å; I62-F117 HydrophobicContact CG1-CZ 4.44Å; V105-F117 HydrophobicContact CG1-CE2 4.21Å; E106-F117 WeakPolarHBondContact CA-O 3.37Å; G107-F117 PolarHBondContact N-O 3.08Å; I115-F117 WeakPolarHBondContact CG2-O 3.4Å |
| 118 | S | 87.1 | Confident | 78.9 | Confident | 78 Ų | 78 | 58 Ų | 58 | 55% | 0.545 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 145 | 171.3 | 64.5 | 0 | 0 | 0 | 0 | 111.5 | V105 | V105-S118 CarbonylContact O-C 3.56Å; V105-S118 WeakPolarHBondContact O-CA 3.46Å |
| 119 | N | 86.9 | Confident | 78.6 | Confident | 76 Ų | 76 | 58.8 Ų | 58.8 | 41% | 0.406 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 155 | 176.3 | -153.5 | -26.3 | 0 | 0 | 0 | 111.1 | H104 V105 F665 | H104-N119 WeakPolarHBondContact CA-O 3.47Å; V105-N119 PolarHBondContact N-O 3.43Å; V105-N119 PolarHBondContact O-N 3.26Å; N119-F665 HydrophobicContact CB-CD1 3.78Å; N119-F665 HydrophobicContact CB-CE1 3.68Å; N119-F665 VanDerWaalsContact CG-CE1 3.46Å; N119-F665 WeakPolarHBondContact ND2-CD1 3.43Å |
| 120 | L | 88.3 | Confident | 78.8 | Confident | 78 Ų | 78 | 58.3 Ų | 58.3 | 41% | 0.408 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 120 | -176.8 | -175.9 | 135.1 | 0 | 0 | 0 | 110.2 | W102 L103 | W102-L120 HydrophobicContact CB-CD1 4.37Å; W102-L120 HydrophobicContact CB-CD2 4.42Å; W102-L120 HydrophobicContact CB-CG 4.24Å; W102-L120 HydrophobicContact CD2-CD2 3.75Å; W102-L120 HydrophobicContact CD2-CG 4.5Å; W102-L120 HydrophobicContact CE3-CD2 3.12Å; W102-L120 HydrophobicContact CE3-CG 4Å; W102-L120 HydrophobicContact CG-CD2 4.32Å; W102-L120 HydrophobicContact CH2-CD2 4.42Å; W102-L120 HydrophobicContact CZ3-CD2 3.51Å; L103-L120 VanDerWaalsContact O-CA 3.29Å; L103-L120 WeakPolarHBondContact O-CA 3.12Å |
| 121 | T | 87.7 | Confident | 79.8 | Confident | 30 Ų | 30 | 55 Ų | 55 | 18% | 0.184 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 153.4 | 178 | 58.2 | 0 | 0 | 0 | 0 | 112.1 | W102 L103 I663 F665 | W102-T121 CarbonylContact C-O 3.59Å; W102-T121 WeakPolarHBondContact CA-O 3.47Å; L103-T121 PolarHBondContact N-O 2.75Å; L103-T121 PolarHBondContact O-N 2.84Å; T121-I663 HydrophobicContact CG2-CG2 4.18Å; T121-F665 HydrophobicContact CG2-CD1 4.4Å; T121-F665 HydrophobicContact CG2-CE1 3.29Å; T121-F665 HydrophobicContact CG2-CE2 4.38Å; T121-F665 HydrophobicContact CG2-CZ 3.3Å; T121-F665 WeakPolarHBondContact OG1-CZ 3.28Å |
| 122 | K | 88.5 | Confident | 81.3 | Confident | 123 Ų | 123 | 52.1 Ų | 52.1 | 54% | 0.535 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 134.9 | 177.3 | -174.6 | -179.4 | 177.2 | -176.9 | 0 | 110.3 | Y101 W102 | Y101-K122 WeakPolarHBondContact O-CA 3.45Å; W102-K122 HydrophobicContact CE3-CB 4.02Å; W102-K122 HydrophobicContact CH2-CB 4.45Å; W102-K122 HydrophobicContact CZ3-CB 3.97Å |
| 123 | L | 88.3 | Confident | 82.9 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 151.2 | 172 | -63.2 | 177 | 0 | 0 | 0 | 110.8 | P37 I40 I66 Y101 L103 I663 | P37-L123 VanDerWaalsContact O-CD2 3.28Å; P37-L123 WeakPolarHBondContact O-CD2 3.16Å; I40-L123 HydrophobicContact CD1-CD1 4.12Å; I40-L123 HydrophobicContact CG2-CD1 3.96Å; I66-L123 HydrophobicContact CD1-CD1 4.38Å; I66-L123 HydrophobicContact CG1-CD1 4.24Å; I66-L123 HydrophobicContact CG2-CD1 4.5Å; Y101-L123 PolarHBondContact O-N 2.82Å; L103-L123 HydrophobicContact CB-CD1 3.92Å; L103-L123 HydrophobicContact CB-CD2 4.14Å; L103-L123 HydrophobicContact CB-CG 3.96Å; L123-I663 HydrophobicContact CD2-CD1 3.87Å |
| 124 | T | 86.4 | Confident | 84.6 | Confident | 45 Ų | 45 | 43.2 Ų | 43.2 | 28% | 0.276 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 133.5 | 171.7 | 59 | 0 | 0 | 0 | 0 | 110.6 | N38 R39 I40 | N38-T124 PolarHBondContact O-N 3.27Å; N38-T124 PolarHBondContact O-OG1 2.84Å; R39-T124 CarbonylContact C-O 3.54Å; R39-T124 VanDerWaalsContact CA-O 3.3Å; R39-T124 WeakPolarHBondContact CA-O 3.29Å; R39-T124 VanDerWaalsContact CA-OG1 3.3Å; R39-T124 WeakPolarHBondContact CA-OG1 3.47Å; R39-T124 WeakPolarHBondContact CB-OG1 3.49Å; I40-T124 PolarHBondContact N-O 2.98Å |
| 125 | F | 86.1 | Confident | 85.6 | Confident | 33 Ų | 33 | 40.8 Ų | 40.8 | 15% | 0.145 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 133.3 | 177.7 | 179.6 | -98 | 0 | 0 | 0 | 110.4 | I40 A42 A96 T98 Y101 E127 | I40-F125 HydrophobicContact CG1-CD2 4.24Å; I40-F125 WeakPolarHBondContact O-CA 3.46Å; A42-F125 HydrophobicContact CB-CE2 4.5Å; A42-F125 HydrophobicContact CB-CZ 4.33Å; A96-F125 HydrophobicContact CB-CE2 3.63Å; A96-F125 HydrophobicContact CB-CZ 4.02Å; A96-F125 WeakPolarHBondContact O-CZ 3.41Å; T98-F125 HydrophobicContact CG2-CD1 4.19Å; Y101-F125 HydrophobicContact CD2-CB 3.61Å; Y101-F125 HydrophobicContact CD2-CD2 4.2Å; Y101-F125 HydrophobicContact CD2-CG 4.12Å; Y101-F125 HydrophobicContact CE2-CB 3.54Å; Y101-F125 HydrophobicContact CE2-CD1 4.33Å; Y101-F125 AromaticContact CE2-CD2 3.56Å; Y101-F125 HydrophobicContact CE2-CD2 3.56Å; Y101-F125 HydrophobicContact CE2-CE2 4.37Å; Y101-F125 AromaticContact CE2-CG 3.54Å; Y101-F125 HydrophobicContact CE2-CG 3.54Å; Y101-F125 AromaticContact CZ-CD2 3.76Å; F125-E127 HydrophobicContact CD1-CG 4.46Å; F125-E127 HydrophobicContact CE1-CG 4Å |
| 126 | S | 82.6 | Confident | 86.4 | Confident | 13 Ų | 13 | 35.9 Ų | 35.9 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.1 | 174.9 | 159.1 | 0 | 0 | 0 | 0 | 112.1 | R39 I40 Q128 | R39-S126 VanDerWaalsContact CZ-CB 3.48Å; R39-S126 PolarHBondContact NE-OG 2.74Å; R39-S126 PolarHBondContact NH2-OG 2.88Å; I40-S126 PolarHBondContact O-N 3.15Å; S126-Q128 PolarHBondContact OG-N 2.81Å; S126-Q128 PolarHBondContact OG-O 2.73Å |
| 127 | E | 78.3 | Confident | 86.9 | Confident | 73 Ų | 73 | 34.4 Ų | 34.4 | 34% | 0.341 | 18% | 0.183 | S | C | . | . | trans | -78.7 | -28 | 177.9 | -62.7 | -169.9 | 158.4 | 0 | 0 | 113.6 | T98 F125 S129 R215 | T98-E127 HydrophobicContact CG2-CG 3.9Å; T98-E127 WeakPolarHBondContact CG2-OE1 3.44Å; T98-E127 PolarHBondContact OG1-OE1 2.85Å; T98-E127 VanDerWaalsContact OG1-OE1 3.09Å; F125-E127 HydrophobicContact CD1-CG 4.46Å; F125-E127 HydrophobicContact CE1-CG 4Å; E127-S129 PolarHBondContact O-N 2.94Å; E127-R215 HydrophobicContact CB-CB 4.25Å | ||
| 128 | Q | 79.9 | Confident | 87 | Confident | 36 Ų | 36 | 33.8 Ų | 33.8 | 17% | 0.168 | 18% | 0.181 | C | C | . | . | trans | -69.9 | 111.9 | 179.3 | -168 | 176 | 7.8 | 0 | 0 | 110.5 | R41 S126 E130 S131 E616 T619 Y620 | R41-Q128 VanDerWaalsContact CD-O 3.3Å; R41-Q128 WeakPolarHBondContact CD-O 3.19Å; S126-Q128 PolarHBondContact OG-N 2.81Å; S126-Q128 PolarHBondContact OG-O 2.73Å; Q128-E130 WeakPolarHBondContact CG-O 3.45Å; Q128-S131 PolarHBondContact NE2-OG 2.98Å; Q128-E616 PolarHBondContact NE2-OE1 2.83Å; Q128-T619 PolarHBondContact OE1-OG1 2.77Å; Q128-T619 VanDerWaalsContact OE1-OG1 3.1Å; Q128-Y620 HydrophobicContact CB-CE1 4.28Å; Q128-Y620 HydrophobicContact CG-CE1 3.8Å; Q128-Y620 WeakPolarHBondContact O-CE1 3.26Å | ||
| 129 | S | 80.6 | Confident | 87 | Confident | 29 Ų | 29 | 30.5 Ų | 30.5 | 20% | 0.203 | 16% | 0.157 | C | C | . | . | trans | -112 | -20 | 174.7 | 56.5 | 0 | 0 | 0 | 0 | 113.1 | E127 P156 | E127-S129 PolarHBondContact O-N 2.94Å; S129-P156 WeakPolarHBondContact O-CD 3.42Å | ||
| 130 | E | 83.7 | Confident | 87 | Confident | 33 Ų | 33 | 27 Ų | 27 | 15% | 0.154 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -137.1 | 158.3 | -176.3 | -72.5 | 170 | -153.7 | 0 | 0 | 108.4 | Q128 M154 L155 A161 S164 H213 F216 Y620 | Q128-E130 WeakPolarHBondContact CG-O 3.45Å; E130-M154 CarbonylContact C-O 3.56Å; E130-M154 VanDerWaalsContact CA-O 3.27Å; E130-M154 WeakPolarHBondContact CA-O 3.17Å; E130-M154 WeakPolarHBondContact CB-O 3.43Å; E130-L155 HydrophobicContact CG-CD2 3.86Å; E130-A161 HydrophobicContact CG-CB 4.21Å; E130-S164 PolarHBondContact OE2-OG 2.78Å; E130-H213 IonicContact OE2-CD2 3.02Å; E130-H213 IonicContact OE2-NE2 3.71Å; E130-F216 HydrophobicContact CB-CE1 4.07Å; E130-F216 HydrophobicContact CB-CZ 3.63Å; E130-F216 VanDerWaalsContact O-CE2 3.23Å; E130-F216 WeakPolarHBondContact O-CE2 3.5Å; E130-F216 WeakPolarHBondContact O-CZ 3.23Å; E130-Y620 WeakPolarHBondContact CA-OH 3.22Å; E130-Y620 PolarHBondContact N-OH 3.14Å; E130-Y620 PolarHBondContact O-OH 3.34Å; E130-Y620 VanDerWaalsContact O-OH 3.12Å |
| 131 | S | 88.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 141.7 | 173.5 | -77 | 0 | 0 | 0 | 0 | 109.5 | Q128 M154 E616 Y620 | Q128-S131 PolarHBondContact NE2-OG 2.98Å; S131-M154 PolarHBondContact N-O 3.12Å; S131-M154 PolarHBondContact O-N 2.78Å; S131-E616 WeakPolarHBondContact OG-CG 3.44Å; S131-E616 PolarHBondContact OG-OE1 2.73Å; S131-Y620 PolarHBondContact N-OH 2.86Å; S131-Y620 WeakPolarHBondContact OG-CE2 2.87Å; S131-Y620 PolarHBondContact OG-OH 2.94Å |
| 132 | I | 91 | Very high | 87.2 | Confident | 6 Ų | 6 | 22.9 Ų | 22.9 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 120.1 | -177.6 | -65.6 | 165 | 0 | 0 | 0 | 109.5 | V151 P153 V166 A211 H213 F216 A218 | I132-V151 HydrophobicContact CG2-CG1 3.42Å; I132-V151 VanDerWaalsContact CG2-CG1 3.42Å; I132-P153 HydrophobicContact CG1-CB 4.32Å; I132-V166 HydrophobicContact CD1-CG1 4.12Å; I132-V166 HydrophobicContact CD1-CG2 3.86Å; I132-A211 HydrophobicContact CG2-CB 3.79Å; I132-H213 HydrophobicContact CD1-CB 3.94Å; I132-F216 HydrophobicContact CB-CE2 4.4Å; I132-F216 HydrophobicContact CD1-CD2 4.29Å; I132-F216 HydrophobicContact CD1-CE2 3.41Å; I132-F216 VanDerWaalsContact CD1-CE2 3.41Å; I132-F216 HydrophobicContact CD1-CZ 3.76Å; I132-F216 HydrophobicContact CG1-CE2 3.66Å; I132-F216 HydrophobicContact CG1-CZ 4.04Å; I132-A218 HydrophobicContact CB-CB 3.78Å; I132-A218 HydrophobicContact CG2-CB 3.94Å; I132-A218 VanDerWaalsContact O-CB 3.22Å; I132-A218 WeakPolarHBondContact O-CB 3.36Å |
| 133 | F | 91.9 | Very high | 87.2 | Confident | 13 Ų | 13 | 17.4 Ų | 17.4 | 6% | 0.057 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 136.8 | 175 | -58.4 | -75.3 | 0 | 0 | 0 | 111.5 | V151 I152 M154 L608 I613 E616 | F133-V151 CarbonylContact O-C 3.57Å; F133-V151 WeakPolarHBondContact O-CA 3.17Å; F133-I152 HydrophobicContact CB-CB 4.35Å; F133-I152 PolarHBondContact N-O 3.33Å; F133-I152 PolarHBondContact O-N 2.87Å; F133-M154 HydrophobicContact CD2-CG 4.02Å; F133-M154 HydrophobicContact CD2-SD 4.31Å; F133-M154 HydrophobicContact CE2-CB 4.43Å; F133-M154 HydrophobicContact CE2-CG 4.11Å; F133-M154 HydrophobicContact CE2-SD 4.25Å; F133-L608 HydrophobicContact CB-CD2 3.96Å; F133-I613 HydrophobicContact CE1-CB 4.42Å; F133-I613 HydrophobicContact CE1-CG1 4.08Å; F133-I613 HydrophobicContact CZ-CB 4.26Å; F133-I613 HydrophobicContact CZ-CG1 4.07Å; F133-I613 HydrophobicContact CZ-CG2 4.12Å; F133-E616 HydrophobicContact CE1-CB 3.77Å; F133-E616 HydrophobicContact CE1-CG 3.77Å; F133-E616 HydrophobicContact CZ-CB 4.1Å; F133-E616 HydrophobicContact CZ-CG 3.87Å |
| 134 | I | 92 | Very high | 87.3 | Confident | 9 Ų | 9 | 20.9 Ų | 20.9 | 5% | 0.046 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 122.7 | 177.9 | -54.1 | 171.4 | 0 | 0 | 0 | 109.8 | R150 V151 I209 A211 A218 K220 | I134-R150 WeakPolarHBondContact CA-O 3.49Å; I134-V151 HydrophobicContact CG1-CG2 4.35Å; I134-I209 HydrophobicContact CD1-CG2 4.33Å; I134-I209 HydrophobicContact CG2-CB 4.46Å; I134-I209 HydrophobicContact CG2-CG2 4.27Å; I134-A211 HydrophobicContact CD1-CB 3.98Å; I134-A211 HydrophobicContact CG1-CB 4.39Å; I134-A218 HydrophobicContact CD1-CB 4.43Å; I134-K220 HydrophobicContact CB-CB 3.7Å; I134-K220 HydrophobicContact CB-CG 4.2Å; I134-K220 HydrophobicContact CD1-CB 4Å; I134-K220 HydrophobicContact CG1-CB 4.44Å; I134-K220 HydrophobicContact CG2-CB 3.63Å; I134-K220 HydrophobicContact CG2-CG 4.01Å |
| 135 | H | 91.3 | Very high | 87.5 | Confident | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.009 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 119 | -179.4 | 176.8 | -172.4 | 0 | 0 | 0 | 110 | F149 R150 S593 S606 L608 W752 F781 | H135-F149 CarbonylContact O-C 3.42Å; H135-F149 WeakPolarHBondContact O-CA 3.43Å; H135-F149 WeakPolarHBondContact O-CB 2.91Å; H135-R150 HydrophobicContact CB-CB 4.34Å; H135-R150 PolarHBondContact N-O 2.61Å; H135-R150 PolarHBondContact O-N 3.08Å; H135-S593 PolarHBondContact CE1-OG 3.19Å; H135-S606 PolarHBondContact CD2-O 3.46Å; H135-L608 HydrophobicContact CB-CD1 4.4Å; H135-L608 HydrophobicContact CB-CG 4.31Å; H135-W752 AromaticContact CD2-CH2 3.8Å; H135-W752 AromaticContact CE1-CH2 3.95Å; H135-W752 AromaticContact CE1-CZ3 3.85Å; H135-W752 AromaticContact CG-CH2 3.95Å; H135-W752 AromaticContact NE2-CH2 3.81Å; H135-W752 AromaticContact NE2-CZ3 3.63Å; H135-F781 AromaticContact CE1-CE1 3.92Å; H135-F781 AromaticContact ND1-CE1 3.45Å; H135-F781 WeakPolarHBondContact ND1-CE1 3.43Å |
| 136 | V | 91.3 | Very high | 87.8 | Confident | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 145.3 | 176.1 | -66 | 0 | 0 | 0 | 0 | 111.3 | K138 F149 I209 K220 | V136-K138 VanDerWaalsContact C-N 3.31Å; V136-K138 PolarHBondContact O-N 3.25Å; V136-F149 HydrophobicContact CG1-CB 4.09Å; V136-I209 HydrophobicContact CG1-CD1 3.88Å; V136-K220 HydrophobicContact CG1-CG 4.26Å |
| 137 | S | 90.3 | Very high | 88.2 | Confident | 14 Ų | 14 | 21.5 Ų | 21.5 | 10% | 0.098 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -65.3 | -32.2 | -175 | 75.8 | 0 | 0 | 0 | 0 | 114.3 | Y141 R148 | S137-Y141 PolarHBondContact N-OH 2.8Å; S137-Y141 PolarHBondContact OG-OH 3.31Å; S137-R148 PolarHBondContact N-O 2.71Å |
| 138 | K | 87.5 | Confident | 89 | Confident | 11 Ų | 11 | 23.2 Ų | 23.2 | 5% | 0.048 | 12% | 0.12 | C | C | . | . | trans | -153.1 | 157.5 | 173.5 | 57 | 179.5 | -176.6 | 172.4 | 0 | 109.9 | V136 I140 Y141 W745 A749 | V136-K138 VanDerWaalsContact C-N 3.31Å; V136-K138 PolarHBondContact O-N 3.25Å; K138-I140 VanDerWaalsContact C-N 3.34Å; K138-I140 WeakPolarHBondContact CD-O 3.37Å; K138-I140 WeakPolarHBondContact CE-O 3.49Å; K138-I140 WeakPolarHBondContact CG-O 3.46Å; K138-Y141 HydrophobicContact CD-CD1 4.29Å; K138-Y141 HydrophobicContact CD-CE1 4.07Å; K138-Y141 HydrophobicContact CG-CD1 4.15Å; K138-Y141 HydrophobicContact CG-CD2 4.35Å; K138-Y141 HydrophobicContact CG-CE1 3.58Å; K138-Y141 HydrophobicContact CG-CE2 3.85Å; K138-Y141 HydrophobicContact CG-CG 4.49Å; K138-Y141 VanDerWaalsContact CG-CZ 3.41Å; K138-Y141 PolarHBondContact N-OH 3.05Å; K138-Y141 WeakPolarHBondContact O-CE2 3.39Å; K138-Y141 PolarHBondContact O-OH 2.97Å; K138-W745 PolarHBondContact NZ-O 2.97Å; K138-A749 HydrophobicContact CB-CB 4.06Å; K138-A749 HydrophobicContact CD-CB 4.27Å; K138-A749 HydrophobicContact CG-CB 4.43Å | ||
| 139 | P | 86.2 | Confident | 89.6 | Confident | 9 Ų | 9 | 21.5 Ų | 21.5 | 6% | 0.058 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -78.8 | -15.6 | -177.7 | 31.4 | -37.3 | 0 | 0 | 0 | 113.9 | Q223 I735 | P139-Q223 PolarHBondContact O-N 2.87Å; P139-I735 HydrophobicContact CB-CD1 4.29Å |
| 140 | I | 87.7 | Confident | 90.2 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 138.4 | -175.8 | -158.4 | 177.7 | 0 | 0 | 0 | 112.8 | K138 Q223 K225 L599 I735 I740 W745 | K138-I140 VanDerWaalsContact C-N 3.34Å; K138-I140 WeakPolarHBondContact CD-O 3.37Å; K138-I140 WeakPolarHBondContact CE-O 3.49Å; K138-I140 WeakPolarHBondContact CG-O 3.46Å; I140-Q223 CarbonylContact C-O 3.51Å; I140-Q223 VanDerWaalsContact CA-O 3.26Å; I140-Q223 WeakPolarHBondContact CA-O 3.27Å; I140-Q223 HydrophobicContact CG1-CB 4.1Å; I140-Q223 HydrophobicContact CG1-CG 4.39Å; I140-Q223 WeakPolarHBondContact CG1-O 3.2Å; I140-K225 HydrophobicContact CD1-CD 4.08Å; I140-K225 HydrophobicContact CD1-CG 4.24Å; I140-L599 HydrophobicContact CG2-CD2 3.88Å; I140-I735 HydrophobicContact CD1-CG2 4.02Å; I140-I740 HydrophobicContact CD1-CD1 3.11Å; I140-W745 HydrophobicContact CB-CZ3 4.33Å; I140-W745 HydrophobicContact CD1-CH2 3.29Å; I140-W745 HydrophobicContact CD1-CZ2 4.11Å; I140-W745 HydrophobicContact CD1-CZ3 3.79Å; I140-W745 HydrophobicContact CG1-CH2 3.64Å; I140-W745 HydrophobicContact CG1-CZ3 3.63Å; I140-W745 HydrophobicContact CG2-CH2 4.49Å; I140-W745 HydrophobicContact CG2-CZ3 4.04Å |
| 141 | Y | 90.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 0% | 0.004 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 155.1 | 178.8 | -61.5 | -97.9 | 0 | 0 | 0 | 111.1 | S137 K138 Q145 V147 F222 Q223 V224 K225 W745 | S137-Y141 PolarHBondContact N-OH 2.8Å; S137-Y141 PolarHBondContact OG-OH 3.31Å; K138-Y141 HydrophobicContact CD-CD1 4.29Å; K138-Y141 HydrophobicContact CD-CE1 4.07Å; K138-Y141 HydrophobicContact CG-CD1 4.15Å; K138-Y141 HydrophobicContact CG-CD2 4.35Å; K138-Y141 HydrophobicContact CG-CE1 3.58Å; K138-Y141 HydrophobicContact CG-CE2 3.85Å; K138-Y141 HydrophobicContact CG-CG 4.49Å; K138-Y141 VanDerWaalsContact CG-CZ 3.41Å; K138-Y141 PolarHBondContact N-OH 3.05Å; K138-Y141 WeakPolarHBondContact O-CE2 3.39Å; K138-Y141 PolarHBondContact O-OH 2.97Å; Y141-Q145 HydrophobicContact CD1-CB 4.42Å; Y141-V147 HydrophobicContact CD1-CG2 3.82Å; Y141-V147 HydrophobicContact CD2-CG2 4.09Å; Y141-V147 HydrophobicContact CE1-CB 4.25Å; Y141-V147 HydrophobicContact CE1-CG1 4.38Å; Y141-V147 HydrophobicContact CE1-CG2 4.04Å; Y141-V147 HydrophobicContact CE2-CG1 4.07Å; Y141-V147 HydrophobicContact CE2-CG2 4.26Å; Y141-V147 HydrophobicContact CG-CG2 3.86Å; Y141-F222 AromaticContact CD2-CD2 3.63Å; Y141-F222 HydrophobicContact CD2-CD2 3.63Å; Y141-F222 HydrophobicContact CD2-CE2 4.16Å; Y141-F222 HydrophobicContact CD2-CG 4.4Å; Y141-F222 HydrophobicContact CE2-CB 4.46Å; Y141-F222 AromaticContact CE2-CD2 4Å; Y141-F222 HydrophobicContact CE2-CD2 4Å; Y141-F222 HydrophobicContact CE2-CG 4.36Å; Y141-Q223 PolarHBondContact N-O 3.48Å; Y141-V224 VanDerWaalsContact O-CA 3.28Å; Y141-V224 WeakPolarHBondContact O-CA 3.39Å; Y141-K225 PolarHBondContact O-N 3.36Å; Y141-W745 WeakPolarHBondContact O-CZ3 3.42Å |
| 142 | H | 90 | Very high | 90.9 | Very high | 21 Ų | 21 | 18.5 Ų | 18.5 | 10% | 0.097 | 10% | 0.095 | C | C | . | . | trans | -115.1 | 176.5 | 170.1 | 75.8 | 86.4 | 0 | 0 | 0 | 111.6 | Q145 L198 K225 W745 N746 | H142-Q145 PolarHBondContact CD2-NE2 3.37Å; H142-Q145 PolarHBondContact CD2-OE1 2.82Å; H142-Q145 WeakPolarHBondContact NE2-CG 3.36Å; H142-Q145 PolarHBondContact NE2-NE2 2.48Å; H142-Q145 WeakPolarHBondContact O-CB 3.32Å; H142-Q145 WeakPolarHBondContact O-CG 3.06Å; H142-Q145 PolarHBondContact O-N 2.92Å; H142-L198 WeakPolarHBondContact O-CD1 3.33Å; H142-K225 VanDerWaalsContact CA-O 3.22Å; H142-K225 WeakPolarHBondContact CA-O 3.05Å; H142-K225 WeakPolarHBondContact CB-O 3.46Å; H142-W745 HydrophobicContact CB-CD2 4.28Å; H142-W745 HydrophobicContact CB-CE3 3.75Å; H142-W745 HydrophobicContact CB-CH2 4.44Å; H142-W745 HydrophobicContact CB-CZ3 3.85Å; H142-W745 AromaticContact CD2-CD2 3.99Å; H142-W745 AromaticContact CD2-CE3 3.71Å; H142-N746 PolarHBondContact NE2-OD1 3.08Å | ||
| 143 | Q | 88.5 | Confident | 90.9 | Very high | 8 Ų | 8 | 18.2 Ų | 18.2 | 4% | 0.037 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 151.2 | -178.8 | 73 | -87.4 | 28.1 | 0 | 0 | 112.1 | Q145 S199 D200 V202 E226 Y227 | Q143-Q145 PolarHBondContact O-N 2.96Å; Q143-S199 CarbonylContact C-O 3.5Å; Q143-S199 WeakPolarHBondContact CA-O 3.41Å; Q143-S199 VanDerWaalsContact CB-O 3.27Å; Q143-S199 WeakPolarHBondContact CB-O 3.3Å; Q143-D200 WeakPolarHBondContact CG-O 3.33Å; Q143-V202 HydrophobicContact CB-CG2 4.3Å; Q143-E226 VanDerWaalsContact OE1-CA 3.32Å; Q143-Y227 PolarHBondContact NE2-O 3.27Å; Q143-Y227 PolarHBondContact OE1-O 3.22Å |
| 144 | S | 88.9 | Confident | 90.8 | Very high | 79 Ų | 79 | 17.6 Ų | 17.6 | 55% | 0.552 | 9% | 0.091 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 4.4 | -178 | -50.1 | 0 | 0 | 0 | 0 | 116.2 | L198 S199 D200 | S144-L198 WeakPolarHBondContact CA-O 3.49Å; S144-L198 PolarHBondContact N-O 2.83Å; S144-S199 PolarHBondContact N-O 2.83Å; S144-D200 WeakPolarHBondContact OG-CA 3.12Å |
| 145 | Q | 90.7 | Very high | 90.6 | Very high | 21 Ų | 21 | 20.1 Ų | 20.1 | 10% | 0.098 | 10% | 0.104 | C | C | . | . | P | Polyproline II helix | trans | -85.9 | 156.5 | 174.5 | -64 | -160.6 | -44.4 | 0 | 0 | 112.7 | Y141 H142 Q143 L198 W745 N746 | Y141-Q145 HydrophobicContact CD1-CB 4.42Å; H142-Q145 PolarHBondContact CD2-NE2 3.37Å; H142-Q145 PolarHBondContact CD2-OE1 2.82Å; H142-Q145 WeakPolarHBondContact NE2-CG 3.36Å; H142-Q145 PolarHBondContact NE2-NE2 2.48Å; H142-Q145 WeakPolarHBondContact O-CB 3.32Å; H142-Q145 WeakPolarHBondContact O-CG 3.06Å; H142-Q145 PolarHBondContact O-N 2.92Å; Q143-Q145 PolarHBondContact O-N 2.96Å; Q145-L198 WeakPolarHBondContact O-CB 3.4Å; Q145-L198 WeakPolarHBondContact O-CG 2.95Å; Q145-L198 PolarHBondContact O-N 2.87Å; Q145-W745 PolarHBondContact NE2-O 2.8Å; Q145-N746 PolarHBondContact NE2-OD1 3.46Å |
| 146 | I | 92 | Very high | 90.2 | Very high | 83 Ų | 83 | 21 Ų | 21 | 43% | 0.426 | 11% | 0.11 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.7 | 174.3 | -58 | 171.5 | 0 | 0 | 0 | 109.2 | R148 D195 P197 | I146-R148 HydrophobicContact CG2-CG 4.23Å; I146-D195 HydrophobicContact CG2-CB 3.95Å; I146-P197 HydrophobicContact CG1-CB 4.46Å |
| 147 | V | 92.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 122.1 | 172.7 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | Y141 D195 F196 L198 F222 | Y141-V147 HydrophobicContact CD1-CG2 3.82Å; Y141-V147 HydrophobicContact CD2-CG2 4.09Å; Y141-V147 HydrophobicContact CE1-CB 4.25Å; Y141-V147 HydrophobicContact CE1-CG1 4.38Å; Y141-V147 HydrophobicContact CE1-CG2 4.04Å; Y141-V147 HydrophobicContact CE2-CG1 4.07Å; Y141-V147 HydrophobicContact CE2-CG2 4.26Å; Y141-V147 HydrophobicContact CG-CG2 3.86Å; V147-D195 WeakPolarHBondContact O-CA 3.42Å; V147-D195 WeakPolarHBondContact O-CB 3.42Å; V147-F196 HydrophobicContact CB-CD1 4.19Å; V147-F196 HydrophobicContact CB-CD2 4.38Å; V147-F196 HydrophobicContact CB-CE1 3.72Å; V147-F196 HydrophobicContact CB-CE2 3.93Å; V147-F196 HydrophobicContact CB-CZ 3.58Å; V147-F196 HydrophobicContact CG1-CE1 3.73Å; V147-F196 HydrophobicContact CG1-CZ 3.73Å; V147-F196 HydrophobicContact CG2-CE1 4.49Å; V147-F196 HydrophobicContact CG2-CE2 3.89Å; V147-F196 HydrophobicContact CG2-CZ 3.85Å; V147-F196 PolarHBondContact N-O 2.92Å; V147-F196 PolarHBondContact O-N 3.41Å; V147-F196 VanDerWaalsContact O-N 3.1Å; V147-L198 HydrophobicContact CG2-CD1 3.86Å; V147-L198 HydrophobicContact CG2-CD2 4.19Å; V147-L198 HydrophobicContact CG2-CG 3.93Å; V147-F222 HydrophobicContact CG1-CE1 4.47Å; V147-F222 HydrophobicContact CG1-CE2 4.38Å; V147-F222 HydrophobicContact CG1-CZ 4.19Å; V147-F222 HydrophobicContact CG2-CE2 4.05Å; V147-F222 HydrophobicContact CG2-CZ 4.34Å |
| 148 | R | 93.8 | Very high | 89.5 | Confident | 108 Ų | 108 | 22.4 Ų | 22.4 | 41% | 0.408 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 132.2 | 177.7 | -62.6 | -179.2 | -179.8 | 171 | 1.7 | 109.9 | S137 I146 D195 W752 | S137-R148 PolarHBondContact N-O 2.71Å; I146-R148 HydrophobicContact CG2-CG 4.23Å; R148-D195 HydrophobicContact CG-CB 4.1Å; R148-W752 HydrophobicContact CB-CD2 4.44Å; R148-W752 HydrophobicContact CB-CG 4.46Å |
| 149 | F | 93.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 158.8 | 178.8 | 68.6 | -83.1 | 0 | 0 | 0 | 112.6 | H135 V136 V151 I168 W181 L194 F196 I209 | H135-F149 CarbonylContact O-C 3.42Å; H135-F149 WeakPolarHBondContact O-CA 3.43Å; H135-F149 WeakPolarHBondContact O-CB 2.91Å; V136-F149 HydrophobicContact CG1-CB 4.09Å; F149-V151 HydrophobicContact CD2-CG2 4Å; F149-V151 HydrophobicContact CE2-CG2 3.96Å; F149-I168 HydrophobicContact CE2-CD1 4.43Å; F149-I168 HydrophobicContact CE2-CG2 3.89Å; F149-I168 HydrophobicContact CZ-CG2 3.99Å; F149-W181 HydrophobicContact CE1-CH2 4.07Å; F149-W181 HydrophobicContact CE1-CZ3 4.33Å; F149-W181 HydrophobicContact CZ-CH2 4.02Å; F149-W181 AromaticContact CZ-CZ3 3.89Å; F149-W181 HydrophobicContact CZ-CZ3 3.89Å; F149-L194 HydrophobicContact CE1-CB 3.81Å; F149-L194 HydrophobicContact CE2-CB 4.02Å; F149-L194 HydrophobicContact CE2-CD1 4.15Å; F149-L194 HydrophobicContact CZ-CB 3.54Å; F149-L194 HydrophobicContact CZ-CD1 3.89Å; F149-L194 HydrophobicContact CZ-CG 4.36Å; F149-L194 PolarHBondContact N-O 2.75Å; F149-L194 PolarHBondContact O-N 2.75Å; F149-L194 VanDerWaalsContact O-N 3.08Å; F149-L194 VanDerWaalsContact O-O 3.13Å; F149-F196 HydrophobicContact CD1-CE1 4.24Å; F149-F196 AromaticContact CE1-CD1 3.97Å; F149-F196 HydrophobicContact CE1-CD1 3.97Å; F149-F196 AromaticContact CE1-CE1 3.91Å; F149-F196 HydrophobicContact CE1-CE1 3.91Å; F149-I209 HydrophobicContact CB-CD1 3.99Å; F149-I209 HydrophobicContact CD1-CD1 3.89Å; F149-I209 HydrophobicContact CD2-CD1 4.08Å; F149-I209 HydrophobicContact CD2-CG2 4.24Å; F149-I209 HydrophobicContact CE1-CD1 4.39Å; F149-I209 HydrophobicContact CE2-CG2 4.02Å; F149-I209 HydrophobicContact CG-CD1 3.72Å; F149-I209 HydrophobicContact CZ-CG2 4.46Å |
| 150 | R | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 140.4 | 176.2 | -70.9 | 167.5 | -176.3 | 142.3 | -7.2 | 109.5 | I134 H135 I191 I192 E193 F592 W752 H753 S754 | I134-R150 WeakPolarHBondContact CA-O 3.49Å; H135-R150 HydrophobicContact CB-CB 4.34Å; H135-R150 PolarHBondContact N-O 2.61Å; H135-R150 PolarHBondContact O-N 3.08Å; R150-I191 HydrophobicContact CB-CG2 3.94Å; R150-I191 HydrophobicContact CG-CG2 4.16Å; R150-I192 CarbonylContact C-O 3.48Å; R150-I192 VanDerWaalsContact CA-O 3.25Å; R150-I192 WeakPolarHBondContact CA-O 3.28Å; R150-E193 HydrophobicContact CG-CB 4.47Å; R150-E193 HydrophobicContact CG-CG 4.02Å; R150-E193 IonicContact CZ-OE1 2.82Å; R150-E193 IonicContact NE-OE1 3.01Å; R150-E193 PolarHBondContact NE-OE1 2.93Å; R150-E193 IonicContact NH2-OE1 3.59Å; R150-F592 PolarHBondContact NH1-O 2.88Å; R150-F592 PolarHBondContact NH2-O 3.18Å; R150-W752 HydrophobicContact CB-CZ2 4.39Å; R150-W752 HydrophobicContact CG-CH2 4.43Å; R150-W752 HydrophobicContact CG-CZ2 3.66Å; R150-H753 PolarHBondContact NH2-O 2.83Å; R150-S754 PolarHBondContact NE-OG 2.82Å; R150-S754 PolarHBondContact NH2-OG 2.99Å |
| 151 | V | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.1 | 171.9 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | I132 F133 I134 F149 P153 I168 I192 A211 | I132-V151 HydrophobicContact CG2-CG1 3.42Å; I132-V151 VanDerWaalsContact CG2-CG1 3.42Å; F133-V151 CarbonylContact O-C 3.57Å; F133-V151 WeakPolarHBondContact O-CA 3.17Å; I134-V151 HydrophobicContact CG1-CG2 4.35Å; F149-V151 HydrophobicContact CD2-CG2 4Å; F149-V151 HydrophobicContact CE2-CG2 3.96Å; V151-P153 WeakPolarHBondContact O-CD 3.47Å; V151-I168 HydrophobicContact CB-CD1 4.21Å; V151-I168 HydrophobicContact CG2-CD1 3.67Å; V151-I168 HydrophobicContact CG2-CG1 4.4Å; V151-I192 HydrophobicContact CB-CB 4.22Å; V151-I192 PolarHBondContact N-O 2.92Å; V151-I192 PolarHBondContact O-N 3.17Å; V151-A211 HydrophobicContact CG1-CB 4.11Å |
| 152 | I | 92.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 93.7 | -171.5 | -51.8 | 163.4 | 0 | 0 | 0 | 108.2 | F133 M154 I191 L608 F781 | F133-I152 HydrophobicContact CB-CB 4.35Å; F133-I152 PolarHBondContact N-O 3.33Å; F133-I152 PolarHBondContact O-N 2.87Å; I152-M154 HydrophobicContact CG2-CE 4.33Å; I152-M154 HydrophobicContact CG2-CG 3.81Å; I152-M154 HydrophobicContact CG2-SD 4Å; I152-I191 HydrophobicContact CG1-CD1 4.46Å; I152-I191 HydrophobicContact CG1-CG1 4.23Å; I152-I191 HydrophobicContact CG1-CG2 3.97Å; I152-I191 HydrophobicContact CG2-CG1 4.49Å; I152-L608 HydrophobicContact CD1-CD1 3.49Å; I152-L608 VanDerWaalsContact CD1-CD1 3.49Å; I152-F781 HydrophobicContact CD1-CD2 4.38Å; I152-F781 HydrophobicContact CD1-CE2 3.54Å; I152-F781 HydrophobicContact CD1-CZ 3.62Å; I152-F781 HydrophobicContact CG1-CE2 4.45Å |
| 153 | P | 92.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 129.3 | 173.2 | 32.8 | -34.4 | 0 | 0 | 0 | 110.4 | I132 V151 A161 V166 T186 | I132-P153 HydrophobicContact CG1-CB 4.32Å; V151-P153 WeakPolarHBondContact O-CD 3.47Å; P153-A161 HydrophobicContact CB-CB 4.18Å; P153-A161 PolarHBondContact O-N 2.94Å; P153-V166 HydrophobicContact CB-CG2 4.48Å; P153-T186 HydrophobicContact CG-CG2 3.85Å |
| 154 | M | 89.7 | Confident | 88.2 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 151.6 | -174.3 | -51.7 | -141.8 | 86.6 | 0 | 0 | 111.9 | E130 S131 F133 I152 L158 T159 V783 L789 | E130-M154 CarbonylContact C-O 3.56Å; E130-M154 VanDerWaalsContact CA-O 3.27Å; E130-M154 WeakPolarHBondContact CA-O 3.17Å; E130-M154 WeakPolarHBondContact CB-O 3.43Å; S131-M154 PolarHBondContact N-O 3.12Å; S131-M154 PolarHBondContact O-N 2.78Å; F133-M154 HydrophobicContact CD2-CG 4.02Å; F133-M154 HydrophobicContact CD2-SD 4.31Å; F133-M154 HydrophobicContact CE2-CB 4.43Å; F133-M154 HydrophobicContact CE2-CG 4.11Å; F133-M154 HydrophobicContact CE2-SD 4.25Å; I152-M154 HydrophobicContact CG2-CE 4.33Å; I152-M154 HydrophobicContact CG2-CG 3.81Å; I152-M154 HydrophobicContact CG2-SD 4Å; M154-L158 WeakPolarHBondContact CE-O 3.4Å; M154-L158 HydrophobicContact SD-CD2 4.35Å; M154-T159 CarbonylContact C-O 3.58Å; M154-T159 WeakPolarHBondContact CA-O 3.48Å; M154-V783 HydrophobicContact CE-CG1 4.34Å; M154-L789 HydrophobicContact CE-CB 3.49Å; M154-L789 VanDerWaalsContact CE-CB 3.49Å; M154-L789 HydrophobicContact SD-CB 3.32Å; M154-L789 WeakPolarHBondContact SD-CB 3.22Å; M154-L789 HydrophobicContact SD-CD2 3.49Å; M154-L789 WeakPolarHBondContact SD-CD2 3.43Å; M154-L789 HydrophobicContact SD-CG 4Å |
| 155 | L | 86.5 | Confident | 87.7 | Confident | 61 Ų | 61 | 30.6 Ų | 30.6 | 32% | 0.319 | 16% | 0.161 | S | C | . | . | trans | -81.3 | 165.1 | 167.8 | -69.9 | 168.6 | 0 | 0 | 0 | 110.7 | E130 D157 L158 T159 A161 | E130-L155 HydrophobicContact CG-CD2 3.86Å; L155-D157 VanDerWaalsContact CB-OD1 3.27Å; L155-D157 WeakPolarHBondContact CB-OD1 3.18Å; L155-D157 PolarHBondContact O-N 3.25Å; L155-L158 WeakPolarHBondContact O-CA 3.14Å; L155-L158 PolarHBondContact O-N 3.06Å; L155-T159 WeakPolarHBondContact CD1-OG1 3.21Å; L155-T159 PolarHBondContact N-O 2.78Å; L155-A161 HydrophobicContact CG-CB 4.49Å | ||
| 156 | P | 82.8 | Confident | 87.5 | Confident | 22 Ų | 22 | 29.6 Ų | 29.6 | 14% | 0.143 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.4 | -179.2 | -23.4 | 33.6 | 0 | 0 | 0 | 114.1 | S129 L158 Y620 | S129-P156 WeakPolarHBondContact O-CD 3.42Å; P156-L158 VanDerWaalsContact C-N 3.26Å; P156-Y620 HydrophobicContact CB-CD2 4.48Å; P156-Y620 HydrophobicContact CB-CE2 4.26Å; P156-Y620 HydrophobicContact CG-CD1 4.45Å; P156-Y620 HydrophobicContact CG-CE1 3.88Å; P156-Y620 HydrophobicContact CG-CE2 4.3Å |
| 157 | D | 81.2 | Confident | 87.4 | Confident | 40 Ų | 40 | 26.3 Ų | 26.3 | 21% | 0.214 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 12.9 | 175.2 | 72.9 | -17.7 | 0 | 0 | 0 | 113.5 | L155 T159 R527 Y528 | L155-D157 VanDerWaalsContact CB-OD1 3.27Å; L155-D157 WeakPolarHBondContact CB-OD1 3.18Å; L155-D157 PolarHBondContact O-N 3.25Å; D157-T159 PolarHBondContact O-N 3.01Å; D157-T159 WeakPolarHBondContact OD1-CB 3.46Å; D157-T159 PolarHBondContact OD1-N 2.94Å; D157-T159 VanDerWaalsContact OD1-N 3.09Å; D157-T159 PolarHBondContact OD1-OG1 2.94Å; D157-T159 PolarHBondContact OD2-OG1 2.73Å; D157-R527 IonicContact OD2-CZ 2.63Å; D157-R527 IonicContact OD2-NH2 3.62Å; D157-R527 PolarHBondContact OD2-NH2 3.2Å; D157-Y528 HydrophobicContact CB-CD1 4.48Å; D157-Y528 HydrophobicContact CB-CE1 4.29Å |
| 158 | L | 86 | Confident | 87.4 | Confident | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 64.7 | 13.4 | -176.5 | -62.8 | 177.8 | 0 | 0 | 0 | 115.5 | M154 L155 P156 F530 Y557 I613 L617 G788 L789 | M154-L158 WeakPolarHBondContact CE-O 3.4Å; M154-L158 HydrophobicContact SD-CD2 4.35Å; L155-L158 WeakPolarHBondContact O-CA 3.14Å; L155-L158 PolarHBondContact O-N 3.06Å; P156-L158 VanDerWaalsContact C-N 3.26Å; L158-F530 HydrophobicContact CD1-CD1 4.12Å; L158-F530 HydrophobicContact CD1-CE1 3.62Å; L158-F530 HydrophobicContact CG-CE1 4.2Å; L158-Y557 HydrophobicContact CD1-CD2 3.74Å; L158-Y557 HydrophobicContact CD1-CE1 4.31Å; L158-Y557 HydrophobicContact CD1-CE2 3.35Å; L158-Y557 HydrophobicContact CD1-CG 4.35Å; L158-I613 HydrophobicContact CD1-CG2 4.49Å; L158-I613 HydrophobicContact CD2-CG2 3.71Å; L158-L617 HydrophobicContact CD2-CD1 3.86Å; L158-L617 HydrophobicContact CG-CD1 4.18Å; L158-G788 CarbonylContact O-C 3.59Å; L158-G788 WeakPolarHBondContact O-CA 3.29Å; L158-L789 PolarHBondContact O-N 2.95Å |
| 159 | T | 88.5 | Confident | 87.3 | Confident | 16 Ų | 16 | 22 Ų | 22 | 10% | 0.098 | 13% | 0.126 | C | C | . | . | trans | -79.9 | 147.4 | 172.6 | 60.1 | 0 | 0 | 0 | 0 | 111.6 | M154 L155 D157 | M154-T159 CarbonylContact C-O 3.58Å; M154-T159 WeakPolarHBondContact CA-O 3.48Å; L155-T159 WeakPolarHBondContact CD1-OG1 3.21Å; L155-T159 PolarHBondContact N-O 2.78Å; D157-T159 PolarHBondContact O-N 3.01Å; D157-T159 WeakPolarHBondContact OD1-CB 3.46Å; D157-T159 PolarHBondContact OD1-N 2.94Å; D157-T159 VanDerWaalsContact OD1-N 3.09Å; D157-T159 PolarHBondContact OD1-OG1 2.94Å; D157-T159 PolarHBondContact OD2-OG1 2.73Å | ||
| 160 | P | 89.7 | Confident | 87.3 | Confident | 7 Ų | 7 | 22 Ų | 22 | 5% | 0.045 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -66.5 | 134.9 | -178.4 | 24.8 | -33.3 | 0 | 0 | 0 | 112.4 | Y162 V783 D784 | P160-Y162 HydrophobicContact CB-CE2 4.27Å; P160-Y162 HydrophobicContact CG-CD2 4.48Å; P160-Y162 HydrophobicContact CG-CE1 4.47Å; P160-Y162 HydrophobicContact CG-CE2 3.66Å; P160-Y162 PolarHBondContact O-N 2.83Å; P160-V783 HydrophobicContact CB-CG1 3.84Å; P160-V783 HydrophobicContact CG-CG1 3.82Å; P160-D784 WeakPolarHBondContact CD-O 3.21Å |
| 161 | A | 87.4 | Confident | 87.2 | Confident | 6 Ų | 6 | 23 Ų | 23 | 5% | 0.05 | 13% | 0.131 | C | C | . | . | trans | -87.8 | 87.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | E130 P153 L155 G163 S164 | E130-A161 HydrophobicContact CG-CB 4.21Å; P153-A161 HydrophobicContact CB-CB 4.18Å; P153-A161 PolarHBondContact O-N 2.94Å; L155-A161 HydrophobicContact CG-CB 4.49Å; A161-G163 PolarHBondContact O-N 2.82Å; A161-S164 PolarHBondContact O-N 2.82Å | ||
| 162 | Y | 84.5 | Confident | 87 | Confident | 127 Ų | 127 | 23.6 Ų | 23.6 | 50% | 0.498 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 131.2 | 179.6 | -64.3 | -74.8 | 0 | 0 | 0 | 112.3 | P160 S164 I188 | P160-Y162 HydrophobicContact CB-CE2 4.27Å; P160-Y162 HydrophobicContact CG-CD2 4.48Å; P160-Y162 HydrophobicContact CG-CE1 4.47Å; P160-Y162 HydrophobicContact CG-CE2 3.66Å; P160-Y162 PolarHBondContact O-N 2.83Å; Y162-S164 VanDerWaalsContact C-N 3.31Å; Y162-S164 PolarHBondContact O-N 2.8Å; Y162-I188 WeakPolarHBondContact CE1-O 3.35Å |
| 163 | G | 78.1 | Confident | 86.7 | Confident | 54 Ų | 54 | 25.4 Ų | 25.4 | 56% | 0.557 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 15.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115 | A161 L165 T186 | A161-G163 PolarHBondContact O-N 2.82Å; G163-L165 PolarHBondContact O-N 3.3Å; G163-T186 PolarHBondContact N-OG1 3.05Å |
| 164 | S | 73.9 | Confident | 86.3 | Confident | 10 Ų | 10 | 26.9 Ų | 26.9 | 7% | 0.07 | 16% | 0.16 | C | C | . | . | trans | -58.2 | 129.8 | 175 | -170.1 | 0 | 0 | 0 | 0 | 111 | E130 A161 Y162 V166 H213 | E130-S164 PolarHBondContact OE2-OG 2.78Å; A161-S164 PolarHBondContact O-N 2.82Å; Y162-S164 VanDerWaalsContact C-N 3.31Å; Y162-S164 PolarHBondContact O-N 2.8Å; S164-V166 VanDerWaalsContact C-N 3.32Å; S164-V166 PolarHBondContact O-N 2.99Å; S164-V166 WeakPolarHBondContact OG-CG2 3.41Å; S164-H213 PolarHBondContact OG-CD2 3.17Å; S164-H213 VanDerWaalsContact OG-CD2 3.24Å | ||
| 165 | L | 80.4 | Confident | 86 | Confident | 81 Ų | 81 | 29.4 Ų | 29.4 | 42% | 0.424 | 19% | 0.185 | S | C | . | . | trans | -84.6 | 75.7 | -178.7 | -65.1 | 176.9 | 0 | 0 | 0 | 109.9 | G163 N183 | G163-L165 PolarHBondContact O-N 3.3Å; L165-N183 HydrophobicContact CD2-CB 4.05Å | ||
| 166 | V | 84.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 117.9 | 179.9 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | I132 P153 S164 I168 N183 P184 I192 A211 | I132-V166 HydrophobicContact CD1-CG1 4.12Å; I132-V166 HydrophobicContact CD1-CG2 3.86Å; P153-V166 HydrophobicContact CB-CG2 4.48Å; S164-V166 VanDerWaalsContact C-N 3.32Å; S164-V166 PolarHBondContact O-N 2.99Å; S164-V166 WeakPolarHBondContact OG-CG2 3.41Å; V166-I168 HydrophobicContact CG1-CG1 4.24Å; V166-N183 WeakPolarHBondContact O-CA 3.46Å; V166-P184 WeakPolarHBondContact O-CD 3.47Å; V166-I192 HydrophobicContact CB-CD1 4.43Å; V166-A211 HydrophobicContact CG1-CB 3.8Å |
| 167 | S | 90.9 | Very high | 85.8 | Confident | 15 Ų | 15 | 27.9 Ų | 27.9 | 11% | 0.105 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 138.3 | 167.7 | 61.1 | 0 | 0 | 0 | 0 | 110.6 | W181 A211 N212 | S167-W181 WeakPolarHBondContact CA-O 3.46Å; S167-A211 CarbonylContact O-C 3.49Å; S167-A211 WeakPolarHBondContact O-CA 3.44Å; S167-N212 PolarHBondContact N-O 3.44Å; S167-N212 PolarHBondContact O-N 3.28Å; S167-N212 WeakPolarHBondContact OG-CB 3.35Å; S167-N212 PolarHBondContact OG-O 3.05Å; S167-N212 VanDerWaalsContact OG-O 3.08Å |
| 168 | I | 92.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 124.8 | -174.5 | -60.1 | 171.1 | 0 | 0 | 0 | 109.1 | F149 V151 V166 R180 W181 P184 I192 L194 I209 R210 | F149-I168 HydrophobicContact CE2-CD1 4.43Å; F149-I168 HydrophobicContact CE2-CG2 3.89Å; F149-I168 HydrophobicContact CZ-CG2 3.99Å; V151-I168 HydrophobicContact CB-CD1 4.21Å; V151-I168 HydrophobicContact CG2-CD1 3.67Å; V151-I168 HydrophobicContact CG2-CG1 4.4Å; V166-I168 HydrophobicContact CG1-CG1 4.24Å; I168-R180 CarbonylContact O-C 3.54Å; I168-R180 VanDerWaalsContact O-CA 3.31Å; I168-R180 WeakPolarHBondContact O-CA 3.26Å; I168-W181 HydrophobicContact CB-CB 4.43Å; I168-W181 HydrophobicContact CB-CE3 4.15Å; I168-W181 HydrophobicContact CG2-CE3 3.93Å; I168-W181 HydrophobicContact CG2-CZ3 4.24Å; I168-W181 PolarHBondContact N-O 3.28Å; I168-W181 PolarHBondContact O-N 2.92Å; I168-P184 HydrophobicContact CD1-CG 3.79Å; I168-P184 HydrophobicContact CG1-CG 4.25Å; I168-I192 HydrophobicContact CD1-CG2 3.94Å; I168-L194 HydrophobicContact CD1-CD1 3.57Å; I168-I209 HydrophobicContact CG2-CG2 4.1Å; I168-R210 CarbonylContact C-O 3.58Å; I168-R210 WeakPolarHBondContact CA-O 3.28Å |
| 169 | D | 92.2 | Very high | 85.7 | Confident | 16 Ų | 16 | 27.4 Ų | 27.4 | 9% | 0.086 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 134.8 | -179.1 | -64.3 | -29.7 | 0 | 0 | 0 | 109.5 | L177 R180 R210 N212 | D169-L177 HydrophobicContact CB-CD1 3.66Å; D169-R180 WeakPolarHBondContact OD1-CD 3.3Å; D169-R180 WeakPolarHBondContact OD1-CG 3.38Å; D169-R180 IonicContact OD1-NE 3.32Å; D169-R180 PolarHBondContact OD1-NE 3.03Å; D169-R210 HydrophobicContact CB-CB 4.42Å; D169-R210 PolarHBondContact N-O 2.7Å; D169-R210 PolarHBondContact O-N 2.86Å; D169-N212 PolarHBondContact OD2-ND2 2.76Å |
| 170 | V | 92.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 119 | 174.2 | 174.5 | 0 | 0 | 0 | 0 | 108.8 | F178 K179 W181 F196 W207 I209 | V170-F178 HydrophobicContact CB-CD1 4.48Å; V170-F178 HydrophobicContact CG1-CD1 4.09Å; V170-F178 PolarHBondContact O-N 2.88Å; V170-K179 HydrophobicContact CB-CB 4.46Å; V170-K179 PolarHBondContact N-O 3.21Å; V170-K179 PolarHBondContact O-N 3.14Å; V170-W181 HydrophobicContact CG2-CH2 4.3Å; V170-W181 HydrophobicContact CG2-CZ3 3.69Å; V170-F196 HydrophobicContact CG1-CE1 4.17Å; V170-F196 HydrophobicContact CG1-CE2 4.24Å; V170-F196 HydrophobicContact CG1-CZ 3.73Å; V170-F196 HydrophobicContact CG2-CE1 3.94Å; V170-F196 HydrophobicContact CG2-CZ 4.35Å; V170-W207 HydrophobicContact CG1-CE3 4.08Å; V170-W207 HydrophobicContact CG1-CZ3 4.28Å; V170-I209 HydrophobicContact CG2-CG1 4.45Å |
| 171 | I | 91.3 | Very high | 85.7 | Confident | 23 Ų | 23 | 31.5 Ų | 31.5 | 12% | 0.118 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 129.5 | -177.3 | -54.6 | 175.8 | 0 | 0 | 0 | 108.4 | G175 N176 L177 L208 | I171-G175 VanDerWaalsContact CG2-C 3.5Å; I171-N176 WeakPolarHBondContact CA-O 3.32Å; I171-L177 HydrophobicContact CG1-CD1 4.49Å; I171-L208 HydrophobicContact CB-CB 4.3Å; I171-L208 HydrophobicContact CD1-CD2 4.23Å; I171-L208 PolarHBondContact N-O 3.03Å; I171-L208 PolarHBondContact O-N 2.67Å |
| 172 | D | 89.1 | Confident | 85.6 | Confident | 12 Ų | 12 | 36.7 Ų | 36.7 | 6% | 0.064 | 21% | 0.211 | C | C | . | . | trans | -73.8 | 173.6 | 178.4 | 76.4 | 8.7 | 0 | 0 | 0 | 112.5 | S174 G175 N176 H203 W207 | D172-S174 PolarHBondContact O-N 3.01Å; D172-S174 VanDerWaalsContact O-N 3.1Å; D172-S174 WeakPolarHBondContact OD1-CA 3.32Å; D172-S174 WeakPolarHBondContact OD1-CB 3.43Å; D172-S174 PolarHBondContact OD1-N 3.28Å; D172-S174 PolarHBondContact OD1-OG 3.1Å; D172-S174 PolarHBondContact OD2-OG 2.98Å; D172-G175 PolarHBondContact O-N 2.64Å; D172-G175 VanDerWaalsContact O-N 3.1Å; D172-G175 PolarHBondContact OD1-N 3.25Å; D172-N176 PolarHBondContact N-O 2.75Å; D172-N176 PolarHBondContact OD1-N 3.02Å; D172-H203 IonicContact OD2-CD2 2.7Å; D172-W207 HydrophobicContact CB-CD2 4.23Å; D172-W207 HydrophobicContact CB-CE3 4.17Å; D172-W207 HydrophobicContact CB-CH2 3.55Å; D172-W207 HydrophobicContact CB-CZ2 3.68Å; D172-W207 HydrophobicContact CB-CZ3 3.85Å | ||
| 173 | A | 87.2 | Confident | 85.6 | Confident | 37 Ų | 37 | 34.4 Ų | 34.4 | 31% | 0.306 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | H203 V206 | A173-H203 HydrophobicContact CB-CB 4.37Å; A173-V206 WeakPolarHBondContact CA-O 3.49Å |
| 174 | S | 82.3 | Confident | 86 | Confident | 32 Ų | 32 | 32.9 Ų | 32.9 | 22% | 0.224 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -6.5 | 179.8 | 76.1 | 0 | 0 | 0 | 0 | 113 | D172 N176 | D172-S174 PolarHBondContact O-N 3.01Å; D172-S174 VanDerWaalsContact O-N 3.1Å; D172-S174 WeakPolarHBondContact OD1-CA 3.32Å; D172-S174 WeakPolarHBondContact OD1-CB 3.43Å; D172-S174 PolarHBondContact OD1-N 3.28Å; D172-S174 PolarHBondContact OD1-OG 3.1Å; D172-S174 PolarHBondContact OD2-OG 2.98Å; S174-N176 PolarHBondContact OG-ND2 2.86Å |
| 175 | G | 83.6 | Confident | 86.6 | Confident | 53 Ų | 53 | 40.8 Ų | 40.8 | 55% | 0.546 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 92.9 | 6.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I171 D172 | I171-G175 VanDerWaalsContact CG2-C 3.5Å; D172-G175 PolarHBondContact O-N 2.64Å; D172-G175 VanDerWaalsContact O-N 3.1Å; D172-G175 PolarHBondContact OD1-N 3.25Å |
| 176 | N | 80.3 | Confident | 86.9 | Confident | 20 Ų | 20 | 38 Ų | 38 | 11% | 0.107 | 21% | 0.213 | C | C | . | . | trans | -84.5 | 139.6 | 178.8 | -60.1 | -42.7 | 0 | 0 | 0 | 111.1 | I171 D172 S174 F178 | I171-N176 WeakPolarHBondContact CA-O 3.32Å; D172-N176 PolarHBondContact N-O 2.75Å; D172-N176 PolarHBondContact OD1-N 3.02Å; S174-N176 PolarHBondContact OG-ND2 2.86Å; N176-F178 PolarHBondContact O-N 2.89Å | ||
| 177 | L | 84.8 | Confident | 87 | Confident | 31 Ų | 31 | 40.2 Ų | 40.2 | 16% | 0.162 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 107.5 | 171.6 | 178.7 | 62.3 | 0 | 0 | 0 | 109.8 | D169 I171 Y1091 | D169-L177 HydrophobicContact CB-CD1 3.66Å; I171-L177 HydrophobicContact CG1-CD1 4.49Å; L177-Y1091 HydrophobicContact CD2-CD1 4.13Å; L177-Y1091 HydrophobicContact CD2-CE1 3.66Å; L177-Y1091 HydrophobicContact CG-CE1 4.48Å |
| 178 | F | 81.1 | Confident | 86.6 | Confident | 10 Ų | 10 | 46.2 Ų | 46.2 | 4% | 0.044 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -48.8 | -179.8 | 160.9 | -114.6 | 0 | 0 | 0 | 112.1 | V170 N176 F196 W207 L1042 Q1043 | V170-F178 HydrophobicContact CB-CD1 4.48Å; V170-F178 HydrophobicContact CG1-CD1 4.09Å; V170-F178 PolarHBondContact O-N 2.88Å; N176-F178 PolarHBondContact O-N 2.89Å; F178-F196 HydrophobicContact CD1-CD2 4.31Å; F178-F196 HydrophobicContact CD1-CE2 4.42Å; F178-F196 HydrophobicContact CE1-CB 4.35Å; F178-F196 AromaticContact CE1-CD2 3.58Å; F178-F196 HydrophobicContact CE1-CD2 3.58Å; F178-F196 HydrophobicContact CE1-CE2 4.1Å; F178-F196 HydrophobicContact CE1-CG 4.13Å; F178-F196 HydrophobicContact CZ-CD2 4.47Å; F178-W207 HydrophobicContact CB-CZ3 4.42Å; F178-W207 HydrophobicContact CD1-CZ3 4.24Å; F178-W207 HydrophobicContact CG-CZ3 4.43Å; F178-L1042 HydrophobicContact CD2-CD2 4.35Å; F178-Q1043 HydrophobicContact CD2-CB 3.96Å; F178-Q1043 HydrophobicContact CD2-CG 4.07Å; F178-Q1043 HydrophobicContact CE2-CB 3.62Å; F178-Q1043 HydrophobicContact CE2-CG 4.01Å; F178-Q1043 HydrophobicContact CZ-CB 4.42Å |
| 179 | K | 85.8 | Confident | 86.1 | Confident | 25 Ų | 25 | 46.4 Ų | 46.4 | 11% | 0.109 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 142.3 | -172.4 | -168 | 167.9 | -176.1 | -176.1 | 0 | 110.9 | V170 W181 D195 F196 | V170-K179 HydrophobicContact CB-CB 4.46Å; V170-K179 PolarHBondContact N-O 3.21Å; V170-K179 PolarHBondContact O-N 3.14Å; K179-W181 HydrophobicContact CB-CH2 4.45Å; K179-W181 HydrophobicContact CB-CZ3 4.39Å; K179-W181 HydrophobicContact CD-CH2 3.53Å; K179-W181 HydrophobicContact CD-CZ2 3.54Å; K179-W181 HydrophobicContact CD-CZ3 4.22Å; K179-W181 HydrophobicContact CG-CE3 4.38Å; K179-W181 HydrophobicContact CG-CH2 3.85Å; K179-W181 HydrophobicContact CG-CZ2 4.04Å; K179-W181 HydrophobicContact CG-CZ3 4.02Å; K179-D195 PolarHBondContact NZ-O 2.82Å; K179-F196 HydrophobicContact CD-CB 4Å |
| 180 | R | 87.4 | Confident | 85.8 | Confident | 82 Ų | 82 | 45.6 Ų | 45.6 | 31% | 0.309 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 133.5 | -178.3 | 176.4 | 163.3 | -163.6 | -154 | -2.8 | 111 | I168 D169 L182 | I168-R180 CarbonylContact O-C 3.54Å; I168-R180 VanDerWaalsContact O-CA 3.31Å; I168-R180 WeakPolarHBondContact O-CA 3.26Å; D169-R180 WeakPolarHBondContact OD1-CD 3.3Å; D169-R180 WeakPolarHBondContact OD1-CG 3.38Å; D169-R180 IonicContact OD1-NE 3.32Å; D169-R180 PolarHBondContact OD1-NE 3.03Å; R180-L182 HydrophobicContact CG-CD2 4.04Å; R180-L182 HydrophobicContact CG-CG 4.49Å; R180-L182 VanDerWaalsContact NE-CD2 3.33Å |
| 181 | W | 89.2 | Confident | 85.8 | Confident | 27 Ų | 27 | 45.6 Ų | 45.6 | 10% | 0.102 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 118 | 168.8 | -63.8 | -96.1 | 0 | 0 | 0 | 109.4 | F149 S167 I168 V170 K179 P184 L194 F196 | F149-W181 HydrophobicContact CE1-CH2 4.07Å; F149-W181 HydrophobicContact CE1-CZ3 4.33Å; F149-W181 HydrophobicContact CZ-CH2 4.02Å; F149-W181 AromaticContact CZ-CZ3 3.89Å; F149-W181 HydrophobicContact CZ-CZ3 3.89Å; S167-W181 WeakPolarHBondContact CA-O 3.46Å; I168-W181 HydrophobicContact CB-CB 4.43Å; I168-W181 HydrophobicContact CB-CE3 4.15Å; I168-W181 HydrophobicContact CG2-CE3 3.93Å; I168-W181 HydrophobicContact CG2-CZ3 4.24Å; I168-W181 PolarHBondContact N-O 3.28Å; I168-W181 PolarHBondContact O-N 2.92Å; V170-W181 HydrophobicContact CG2-CH2 4.3Å; V170-W181 HydrophobicContact CG2-CZ3 3.69Å; K179-W181 HydrophobicContact CB-CH2 4.45Å; K179-W181 HydrophobicContact CB-CZ3 4.39Å; K179-W181 HydrophobicContact CD-CH2 3.53Å; K179-W181 HydrophobicContact CD-CZ2 3.54Å; K179-W181 HydrophobicContact CD-CZ3 4.22Å; K179-W181 HydrophobicContact CG-CE3 4.38Å; K179-W181 HydrophobicContact CG-CH2 3.85Å; K179-W181 HydrophobicContact CG-CZ2 4.04Å; K179-W181 HydrophobicContact CG-CZ3 4.02Å; W181-P184 HydrophobicContact CB-CG 4.13Å; W181-L194 HydrophobicContact CB-CD1 4.38Å; W181-L194 HydrophobicContact CD2-CD1 3.73Å; W181-L194 HydrophobicContact CE3-CD1 4.05Å; W181-L194 HydrophobicContact CG-CD1 3.9Å; W181-L194 HydrophobicContact CZ2-CB 4.35Å; W181-L194 HydrophobicContact CZ2-CD1 4.41Å; W181-F196 HydrophobicContact CH2-CB 4.49Å; W181-F196 AromaticContact CH2-CD1 3.98Å; W181-F196 HydrophobicContact CH2-CD1 3.98Å |
| 182 | L | 85.5 | Confident | 85.8 | Confident | 116 Ų | 116 | 44.7 Ų | 44.7 | 61% | 0.607 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -84.3 | 114.1 | 177.5 | -60.7 | 175.7 | 0 | 0 | 0 | 109.5 | R180 P184 | R180-L182 HydrophobicContact CG-CD2 4.04Å; R180-L182 HydrophobicContact CG-CG 4.49Å; R180-L182 VanDerWaalsContact NE-CD2 3.33Å; L182-P184 VanDerWaalsContact C-CD 3.42Å |
| 183 | N | 86 | Confident | 86 | Confident | 78 Ų | 78 | 47.8 Ų | 47.8 | 42% | 0.417 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 43.3 | 54 | 176.2 | -56.1 | -16.7 | 0 | 0 | 0 | 115.1 | L165 V166 M185 | L165-N183 HydrophobicContact CD2-CB 4.05Å; V166-N183 WeakPolarHBondContact O-CA 3.46Å; N183-M185 PolarHBondContact O-N 2.76Å |
| 184 | P | 86 | Confident | 86.2 | Confident | 23 Ų | 23 | 47.5 Ų | 47.5 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -51.7 | 132 | 168.4 | 20.7 | -35.1 | 0 | 0 | 0 | 111.7 | V166 I168 W181 L182 I192 | V166-P184 WeakPolarHBondContact O-CD 3.47Å; I168-P184 HydrophobicContact CD1-CG 3.79Å; I168-P184 HydrophobicContact CG1-CG 4.25Å; W181-P184 HydrophobicContact CB-CG 4.13Å; L182-P184 VanDerWaalsContact C-CD 3.42Å; P184-I192 HydrophobicContact CB-CG2 3.9Å; P184-I192 HydrophobicContact CG-CD1 4.26Å; P184-I192 HydrophobicContact CG-CG2 4.07Å |
| 185 | M | 86.3 | Confident | 86.8 | Confident | 175 Ų | 175 | 50 Ų | 50 | 86% | 0.862 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 141.6 | 177 | -65.8 | -178.2 | 175.8 | 0 | 0 | 110.9 | N183 | N183-M185 PolarHBondContact O-N 2.76Š|
| 186 | T | 86.8 | Confident | 87.1 | Confident | 24 Ų | 24 | 47.5 Ų | 47.5 | 15% | 0.147 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 140.3 | 169.4 | 53.5 | 0 | 0 | 0 | 0 | 110.5 | P153 G163 I192 | P153-T186 HydrophobicContact CG-CG2 3.85Å; G163-T186 PolarHBondContact N-OG1 3.05Å; T186-I192 HydrophobicContact CG2-CD1 4.35Å; T186-I192 HydrophobicContact CG2-CG1 4.07Å |
| 187 | N | 86.1 | Confident | 87.7 | Confident | 45 Ų | 45 | 48.2 Ų | 48.2 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | trans | -66.9 | 177.4 | 168.9 | 72.8 | 13.3 | 0 | 0 | 0 | 111.2 | G189 G190 I191 Y589 | N187-G189 PolarHBondContact O-N 2.99Å; N187-G189 VanDerWaalsContact O-N 3.14Å; N187-G189 VanDerWaalsContact OD1-CA 3.31Å; N187-G189 WeakPolarHBondContact OD1-CA 3.32Å; N187-G189 PolarHBondContact OD1-N 3.2Å; N187-G190 PolarHBondContact O-N 3.4Å; N187-G190 PolarHBondContact OD1-N 2.91Å; N187-G190 VanDerWaalsContact OD1-N 3.15Å; N187-I191 WeakPolarHBondContact CB-O 3.44Å; N187-I191 PolarHBondContact N-O 2.93Å; N187-I191 PolarHBondContact ND2-O 2.58Å; N187-I191 PolarHBondContact OD1-N 3.05Å; N187-I191 PolarHBondContact OD1-O 3.22Å; N187-I191 VanDerWaalsContact OD1-O 3.08Å; N187-Y589 PolarHBondContact ND2-OH 3.38Å | ||
| 188 | I | 83.7 | Confident | 88 | Confident | 142 Ų | 142 | 47 Ų | 47 | 73% | 0.728 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -26.1 | -179.3 | -55.8 | 168.2 | 0 | 0 | 0 | 112 | Y162 G190 F756 | Y162-I188 WeakPolarHBondContact CE1-O 3.35Å; I188-G190 VanDerWaalsContact C-N 3.3Å; I188-F756 HydrophobicContact CB-CE2 4.37Å; I188-F756 HydrophobicContact CB-CZ 3.83Å; I188-F756 HydrophobicContact CG2-CE1 4.39Å; I188-F756 HydrophobicContact CG2-CE2 4.37Å; I188-F756 HydrophobicContact CG2-CZ 3.6Å |
| 189 | G | 81.8 | Confident | 88.5 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 0.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N187 V783 | N187-G189 PolarHBondContact O-N 2.99Å; N187-G189 VanDerWaalsContact O-N 3.14Å; N187-G189 VanDerWaalsContact OD1-CA 3.31Å; N187-G189 WeakPolarHBondContact OD1-CA 3.32Å; N187-G189 PolarHBondContact OD1-N 3.2Å; G189-V783 WeakPolarHBondContact O-CG1 3.49Å |
| 190 | G | 86.1 | Confident | 88.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 79.5 | 18.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N187 I188 | N187-G190 PolarHBondContact O-N 3.4Å; N187-G190 PolarHBondContact OD1-N 2.91Å; N187-G190 VanDerWaalsContact OD1-N 3.15Å; I188-G190 VanDerWaalsContact C-N 3.3Å |
| 191 | I | 91.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -120.4 | 147 | -175.9 | -53.2 | 178 | 0 | 0 | 0 | 110.1 | R150 I152 N187 E193 Y589 F781 V783 | R150-I191 HydrophobicContact CB-CG2 3.94Å; R150-I191 HydrophobicContact CG-CG2 4.16Å; I152-I191 HydrophobicContact CG1-CD1 4.46Å; I152-I191 HydrophobicContact CG1-CG1 4.23Å; I152-I191 HydrophobicContact CG1-CG2 3.97Å; I152-I191 HydrophobicContact CG2-CG1 4.49Å; N187-I191 WeakPolarHBondContact CB-O 3.44Å; N187-I191 PolarHBondContact N-O 2.93Å; N187-I191 PolarHBondContact ND2-O 2.58Å; N187-I191 PolarHBondContact OD1-N 3.05Å; N187-I191 PolarHBondContact OD1-O 3.22Å; N187-I191 VanDerWaalsContact OD1-O 3.08Å; I191-E193 HydrophobicContact CG2-CG 4.32Å; I191-Y589 HydrophobicContact CD1-CD1 3.75Å; I191-Y589 HydrophobicContact CD1-CE1 3.86Å; I191-F781 HydrophobicContact CD1-CE2 3.65Å; I191-F781 HydrophobicContact CD1-CZ 4.07Å; I191-V783 HydrophobicContact CD1-CG2 3.99Å; I191-V783 HydrophobicContact CG1-CG2 4.4Å | ||
| 192 | I | 92.7 | Very high | 88.2 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 119.2 | 170.8 | -60.8 | 160.6 | 0 | 0 | 0 | 108 | R150 V151 V166 I168 P184 T186 L194 | R150-I192 CarbonylContact C-O 3.48Å; R150-I192 VanDerWaalsContact CA-O 3.25Å; R150-I192 WeakPolarHBondContact CA-O 3.28Å; V151-I192 HydrophobicContact CB-CB 4.22Å; V151-I192 PolarHBondContact N-O 2.92Å; V151-I192 PolarHBondContact O-N 3.17Å; V166-I192 HydrophobicContact CB-CD1 4.43Å; I168-I192 HydrophobicContact CD1-CG2 3.94Å; P184-I192 HydrophobicContact CB-CG2 3.9Å; P184-I192 HydrophobicContact CG-CD1 4.26Å; P184-I192 HydrophobicContact CG-CG2 4.07Å; T186-I192 HydrophobicContact CG2-CD1 4.35Å; T186-I192 HydrophobicContact CG2-CG1 4.07Å; I192-L194 HydrophobicContact CG2-CD1 3.94Å; I192-L194 HydrophobicContact CG2-CG 3.92Å |
| 193 | E | 92 | Very high | 88.2 | Confident | 76 Ų | 76 | 37.3 Ų | 37.3 | 36% | 0.355 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.2 | 176.3 | -46.6 | -159.2 | 129.1 | 0 | 0 | 109.6 | R150 I191 S754 | R150-E193 HydrophobicContact CG-CB 4.47Å; R150-E193 HydrophobicContact CG-CG 4.02Å; R150-E193 IonicContact CZ-OE1 2.82Å; R150-E193 IonicContact NE-OE1 3.01Å; R150-E193 PolarHBondContact NE-OE1 2.93Å; R150-E193 IonicContact NH2-OE1 3.59Å; I191-E193 HydrophobicContact CG2-CG 4.32Å; E193-S754 WeakPolarHBondContact OE1-CB 3.31Å; E193-S754 PolarHBondContact OE1-OG 3.09Å |
| 194 | L | 92.8 | Very high | 88.1 | Confident | 32 Ų | 32 | 37.8 Ų | 37.8 | 17% | 0.168 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 155.7 | -177.4 | -67 | 173.6 | 0 | 0 | 0 | 111.4 | F149 I168 W181 I192 | F149-L194 HydrophobicContact CE1-CB 3.81Å; F149-L194 HydrophobicContact CE2-CB 4.02Å; F149-L194 HydrophobicContact CE2-CD1 4.15Å; F149-L194 HydrophobicContact CZ-CB 3.54Å; F149-L194 HydrophobicContact CZ-CD1 3.89Å; F149-L194 HydrophobicContact CZ-CG 4.36Å; F149-L194 PolarHBondContact N-O 2.75Å; F149-L194 PolarHBondContact O-N 2.75Å; F149-L194 VanDerWaalsContact O-N 3.08Å; F149-L194 VanDerWaalsContact O-O 3.13Å; I168-L194 HydrophobicContact CD1-CD1 3.57Å; W181-L194 HydrophobicContact CB-CD1 4.38Å; W181-L194 HydrophobicContact CD2-CD1 3.73Å; W181-L194 HydrophobicContact CE3-CD1 4.05Å; W181-L194 HydrophobicContact CG-CD1 3.9Å; W181-L194 HydrophobicContact CZ2-CB 4.35Å; W181-L194 HydrophobicContact CZ2-CD1 4.41Å; I192-L194 HydrophobicContact CG2-CD1 3.94Å; I192-L194 HydrophobicContact CG2-CG 3.92Å |
| 195 | D | 93.1 | Very high | 88.2 | Confident | 85 Ų | 85 | 37.8 Ų | 37.8 | 46% | 0.455 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 161.2 | 174.5 | 64.6 | -8.3 | 0 | 0 | 0 | 113.3 | I146 V147 R148 K179 | I146-D195 HydrophobicContact CG2-CB 3.95Å; V147-D195 WeakPolarHBondContact O-CA 3.42Å; V147-D195 WeakPolarHBondContact O-CB 3.42Å; R148-D195 HydrophobicContact CG-CB 4.1Å; K179-D195 PolarHBondContact NZ-O 2.82Å |
| 196 | F | 91.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 142.1 | 170.7 | 61.6 | -84.9 | 0 | 0 | 0 | 111.3 | V147 F149 V170 F178 K179 W181 L198 F222 | V147-F196 HydrophobicContact CB-CD1 4.19Å; V147-F196 HydrophobicContact CB-CD2 4.38Å; V147-F196 HydrophobicContact CB-CE1 3.72Å; V147-F196 HydrophobicContact CB-CE2 3.93Å; V147-F196 HydrophobicContact CB-CZ 3.58Å; V147-F196 HydrophobicContact CG1-CE1 3.73Å; V147-F196 HydrophobicContact CG1-CZ 3.73Å; V147-F196 HydrophobicContact CG2-CE1 4.49Å; V147-F196 HydrophobicContact CG2-CE2 3.89Å; V147-F196 HydrophobicContact CG2-CZ 3.85Å; V147-F196 PolarHBondContact N-O 2.92Å; V147-F196 PolarHBondContact O-N 3.41Å; V147-F196 VanDerWaalsContact O-N 3.1Å; F149-F196 HydrophobicContact CD1-CE1 4.24Å; F149-F196 AromaticContact CE1-CD1 3.97Å; F149-F196 HydrophobicContact CE1-CD1 3.97Å; F149-F196 AromaticContact CE1-CE1 3.91Å; F149-F196 HydrophobicContact CE1-CE1 3.91Å; V170-F196 HydrophobicContact CG1-CE1 4.17Å; V170-F196 HydrophobicContact CG1-CE2 4.24Å; V170-F196 HydrophobicContact CG1-CZ 3.73Å; V170-F196 HydrophobicContact CG2-CE1 3.94Å; V170-F196 HydrophobicContact CG2-CZ 4.35Å; F178-F196 HydrophobicContact CD1-CD2 4.31Å; F178-F196 HydrophobicContact CD1-CE2 4.42Å; F178-F196 HydrophobicContact CE1-CB 4.35Å; F178-F196 AromaticContact CE1-CD2 3.58Å; F178-F196 HydrophobicContact CE1-CD2 3.58Å; F178-F196 HydrophobicContact CE1-CE2 4.1Å; F178-F196 HydrophobicContact CE1-CG 4.13Å; F178-F196 HydrophobicContact CZ-CD2 4.47Å; K179-F196 HydrophobicContact CD-CB 4Å; W181-F196 HydrophobicContact CH2-CB 4.49Å; W181-F196 AromaticContact CH2-CD1 3.98Å; W181-F196 HydrophobicContact CH2-CD1 3.98Å; F196-L198 HydrophobicContact CD2-CD2 4.39Å; F196-L198 HydrophobicContact CE2-CD2 3.83Å; F196-F222 AromaticContact CZ-CZ 3.93Å; F196-F222 HydrophobicContact CZ-CZ 3.93Å |
| 197 | P | 91.8 | Very high | 88.6 | Confident | 35 Ų | 35 | 32.6 Ų | 32.6 | 23% | 0.227 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 142.3 | 171.7 | 30.7 | -33.3 | 0 | 0 | 0 | 111.3 | I146 I1036 V1040 Q1043 | I146-P197 HydrophobicContact CG1-CB 4.46Å; P197-I1036 HydrophobicContact CG-CG2 4.21Å; P197-V1040 HydrophobicContact CB-CG2 4.1Å; P197-V1040 HydrophobicContact CG-CG2 3.54Å; P197-Q1043 PolarHBondContact O-OE1 3.46Å |
| 198 | L | 91.9 | Very high | 88.9 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -86.1 | 147.3 | 165.7 | -63.8 | 172.9 | 0 | 0 | 0 | 109.7 | H142 S144 Q145 V147 F196 V202 W207 V224 Q1043 | H142-L198 WeakPolarHBondContact O-CD1 3.33Å; S144-L198 WeakPolarHBondContact CA-O 3.49Å; S144-L198 PolarHBondContact N-O 2.83Å; Q145-L198 WeakPolarHBondContact O-CB 3.4Å; Q145-L198 WeakPolarHBondContact O-CG 2.95Å; Q145-L198 PolarHBondContact O-N 2.87Å; V147-L198 HydrophobicContact CG2-CD1 3.86Å; V147-L198 HydrophobicContact CG2-CD2 4.19Å; V147-L198 HydrophobicContact CG2-CG 3.93Å; F196-L198 HydrophobicContact CD2-CD2 4.39Å; F196-L198 HydrophobicContact CE2-CD2 3.83Å; L198-V202 HydrophobicContact CB-CG1 4.3Å; L198-W207 HydrophobicContact CD2-CH2 4.35Å; L198-W207 HydrophobicContact CD2-CZ3 4.36Å; L198-V224 HydrophobicContact CD1-CG1 4.15Å; L198-V224 HydrophobicContact CD1-CG2 4.21Å; L198-Q1043 VanDerWaalsContact CD2-NE2 3.27Å |
| 199 | S | 90.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -71.2 | 165.2 | 173.9 | -175.2 | 0 | 0 | 0 | 0 | 113.2 | Q143 S144 Q201 V202 V1040 K1044 | Q143-S199 CarbonylContact C-O 3.5Å; Q143-S199 WeakPolarHBondContact CA-O 3.41Å; Q143-S199 VanDerWaalsContact CB-O 3.27Å; Q143-S199 WeakPolarHBondContact CB-O 3.3Å; S144-S199 PolarHBondContact N-O 2.83Å; S199-Q201 WeakPolarHBondContact CB-O 3.42Å; S199-Q201 PolarHBondContact O-N 3.34Å; S199-Q201 PolarHBondContact OG-O 2.03Å; S199-V202 WeakPolarHBondContact O-CG1 2.74Å; S199-V1040 WeakPolarHBondContact CB-O 3.25Å; S199-V1040 PolarHBondContact OG-O 3.24Å; S199-K1044 VanDerWaalsContact OG-CB 3.28Å; S199-K1044 WeakPolarHBondContact OG-CB 3.28Å |
| 200 | D | 85.7 | Confident | 90 | Very high | 27 Ų | 27 | 28.8 Ų | 28.8 | 14% | 0.144 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -70.4 | -15.9 | 172.8 | 73.9 | -41.8 | 0 | 0 | 0 | 112.6 | Q143 S144 K1044 R1508 | Q143-D200 WeakPolarHBondContact CG-O 3.33Å; S144-D200 WeakPolarHBondContact OG-CA 3.12Å; D200-K1044 WeakPolarHBondContact OD1-CD 3.46Å; D200-K1044 WeakPolarHBondContact OD1-CE 3.4Å; D200-K1044 IonicContact OD1-NZ 3.92Å; D200-K1044 PolarHBondContact OD1-NZ 3.47Å; D200-K1044 IonicContact OD2-NZ 3.38Å; D200-K1044 PolarHBondContact OD2-NZ 3.16Å; D200-R1508 IonicContact OD2-CZ 3.62Å; D200-R1508 IonicContact OD2-NH1 3.04Å; D200-R1508 PolarHBondContact OD2-NH1 2.89Å; D200-R1508 IonicContact OD2-NH2 3.6Å; D200-R1508 PolarHBondContact OD2-NH2 3.28Å; D200-R1508 VanDerWaalsContact OD2-NH2 3.17Å |
| 201 | Q | 85.4 | Confident | 90.4 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 2% | 0.023 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -130.7 | 123.9 | 169.2 | -55.1 | 172.2 | -36.4 | 0 | 0 | 109 | S199 K1044 Y1048 Y1506 | S199-Q201 WeakPolarHBondContact CB-O 3.42Å; S199-Q201 PolarHBondContact O-N 3.34Å; S199-Q201 PolarHBondContact OG-O 2.03Å; Q201-K1044 HydrophobicContact CB-CG 4.07Å; Q201-K1044 HydrophobicContact CG-CG 4.48Å; Q201-Y1048 PolarHBondContact NE2-OH 3.44Å; Q201-Y1048 PolarHBondContact OE1-OH 2.93Å; Q201-Y1506 PolarHBondContact NE2-OH 3.47Å |
| 202 | V | 85.8 | Confident | 90.3 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | trans | -138.1 | 154.3 | -174.8 | -68.3 | 0 | 0 | 0 | 0 | 111 | Q143 L198 S199 E204 W207 V224 Q1043 R1060 | Q143-V202 HydrophobicContact CB-CG2 4.3Å; L198-V202 HydrophobicContact CB-CG1 4.3Å; S199-V202 WeakPolarHBondContact O-CG1 2.74Å; V202-E204 PolarHBondContact O-N 3.09Å; V202-W207 HydrophobicContact CB-CZ2 4.47Å; V202-V224 HydrophobicContact CB-CG1 4.44Å; V202-V224 HydrophobicContact CG2-CG1 3.61Å; V202-Q1043 HydrophobicContact CG1-CG 4.44Å; V202-R1060 VanDerWaalsContact O-CZ 3.3Å; V202-R1060 PolarHBondContact O-NH2 3.25Å | ||
| 203 | H | 84.8 | Confident | 89.8 | Confident | 24 Ų | 24 | 31.8 Ų | 31.8 | 11% | 0.111 | 17% | 0.167 | C | C | . | . | trans | -68.1 | 118.9 | 166.8 | -81.1 | -51.3 | 0 | 0 | 0 | 110.1 | D172 A173 W207 F1046 S1047 F1049 | D172-H203 IonicContact OD2-CD2 2.7Å; A173-H203 HydrophobicContact CB-CB 4.37Å; H203-W207 PolarHBondContact O-NE1 3.4Å; H203-F1046 PolarHBondContact CD2-O 3.29Å; H203-F1046 PolarHBondContact NE2-O 2.91Å; H203-S1047 PolarHBondContact CE1-O 3.22Å; H203-S1047 WeakPolarHBondContact NE2-CA 3.23Å; H203-F1049 PolarHBondContact NE2-O 2.84Å | ||
| 204 | E | 84.9 | Confident | 88.9 | Confident | 88 Ų | 88 | 35.1 Ų | 35.1 | 41% | 0.411 | 18% | 0.182 | S | C | . | . | trans | -73.8 | 136.6 | 178.4 | -60.5 | 177.7 | -147.8 | 0 | 0 | 109.8 | V202 V224 E226 R1060 R1493 | V202-E204 PolarHBondContact O-N 3.09Å; E204-V224 WeakPolarHBondContact CA-O 3.46Å; E204-E226 HydrophobicContact CG-CB 4.03Å; E204-E226 WeakPolarHBondContact OE1-CB 3.43Å; E204-R1060 IonicContact OE1-NH2 2.87Å; E204-R1060 PolarHBondContact OE1-NH2 3.28Å; E204-R1493 IonicContact OE1-CZ 2.73Å; E204-R1493 IonicContact OE1-NH1 2.81Å; E204-R1493 PolarHBondContact OE1-NH1 3.41Å; E204-R1493 IonicContact OE1-NH2 3.61Å | ||
| 205 | G | 87 | Confident | 87.8 | Confident | 23 Ų | 23 | 37.6 Ų | 37.6 | 24% | 0.237 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.3 | -157.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q223 V224 | G205-Q223 WeakPolarHBondContact O-CA 3.41Å; G205-V224 PolarHBondContact N-O 2.85Å; G205-V224 PolarHBondContact O-N 3.46Å |
| 206 | V | 89.5 | Confident | 87.2 | Confident | 88 Ų | 88 | 35.1 Ų | 35.1 | 53% | 0.533 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 117 | -178.6 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | A173 T221 | A173-V206 WeakPolarHBondContact CA-O 3.49Å; V206-T221 HydrophobicContact CG1-CG2 3.86Å |
| 207 | W | 92.1 | Very high | 87 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 150.9 | 175.6 | -73.5 | 54.2 | 0 | 0 | 0 | 110.1 | V170 D172 F178 L198 V202 H203 T221 F222 V224 Q1043 | V170-W207 HydrophobicContact CG1-CE3 4.08Å; V170-W207 HydrophobicContact CG1-CZ3 4.28Å; D172-W207 HydrophobicContact CB-CD2 4.23Å; D172-W207 HydrophobicContact CB-CE3 4.17Å; D172-W207 HydrophobicContact CB-CH2 3.55Å; D172-W207 HydrophobicContact CB-CZ2 3.68Å; D172-W207 HydrophobicContact CB-CZ3 3.85Å; F178-W207 HydrophobicContact CB-CZ3 4.42Å; F178-W207 HydrophobicContact CD1-CZ3 4.24Å; F178-W207 HydrophobicContact CG-CZ3 4.43Å; L198-W207 HydrophobicContact CD2-CH2 4.35Å; L198-W207 HydrophobicContact CD2-CZ3 4.36Å; V202-W207 HydrophobicContact CB-CZ2 4.47Å; H203-W207 PolarHBondContact O-NE1 3.4Å; W207-T221 CarbonylContact O-C 3.5Å; W207-T221 VanDerWaalsContact O-CA 3.23Å; W207-T221 WeakPolarHBondContact O-CA 3.5Å; W207-F222 HydrophobicContact CB-CD1 4.12Å; W207-F222 HydrophobicContact CB-CD2 4.04Å; W207-F222 HydrophobicContact CB-CE1 3.62Å; W207-F222 HydrophobicContact CB-CE2 3.55Å; W207-F222 HydrophobicContact CB-CG 4.31Å; W207-F222 HydrophobicContact CB-CZ 3.3Å; W207-F222 HydrophobicContact CD2-CE2 4.34Å; W207-F222 HydrophobicContact CD2-CZ 4.17Å; W207-F222 HydrophobicContact CE3-CZ 4.03Å; W207-F222 AromaticContact CG-CE2 3.93Å; W207-F222 HydrophobicContact CG-CE2 3.93Å; W207-F222 AromaticContact CG-CZ 3.92Å; W207-F222 HydrophobicContact CG-CZ 3.92Å; W207-F222 PolarHBondContact N-O 2.81Å; W207-F222 PolarHBondContact O-N 2.99Å; W207-V224 HydrophobicContact CB-CG2 4.46Å; W207-V224 HydrophobicContact CD2-CG2 3.99Å; W207-V224 HydrophobicContact CG-CB 4.46Å; W207-V224 HydrophobicContact CG-CG2 3.7Å; W207-Q1043 HydrophobicContact CH2-CG 4.25Å |
| 208 | L | 93.6 | Very high | 86.9 | Confident | 30 Ų | 30 | 37.8 Ų | 37.8 | 16% | 0.157 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 127.7 | -173.6 | -178.1 | 72.5 | 0 | 0 | 0 | 110.9 | I171 E219 T221 | I171-L208 HydrophobicContact CB-CB 4.3Å; I171-L208 HydrophobicContact CD1-CD2 4.23Å; I171-L208 PolarHBondContact N-O 3.03Å; I171-L208 PolarHBondContact O-N 2.67Å; L208-E219 HydrophobicContact CD1-CB 3.95Å; L208-E219 HydrophobicContact CD1-CG 4.26Å; L208-T221 HydrophobicContact CD1-CG2 3.63Å |
| 209 | I | 94.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 121.5 | 168.1 | -52.3 | -178.3 | 0 | 0 | 0 | 107.3 | I134 V136 F149 I168 V170 E219 K220 F222 | I134-I209 HydrophobicContact CD1-CG2 4.33Å; I134-I209 HydrophobicContact CG2-CB 4.46Å; I134-I209 HydrophobicContact CG2-CG2 4.27Å; V136-I209 HydrophobicContact CG1-CD1 3.88Å; F149-I209 HydrophobicContact CB-CD1 3.99Å; F149-I209 HydrophobicContact CD1-CD1 3.89Å; F149-I209 HydrophobicContact CD2-CD1 4.08Å; F149-I209 HydrophobicContact CD2-CG2 4.24Å; F149-I209 HydrophobicContact CE1-CD1 4.39Å; F149-I209 HydrophobicContact CE2-CG2 4.02Å; F149-I209 HydrophobicContact CG-CD1 3.72Å; F149-I209 HydrophobicContact CZ-CG2 4.46Å; I168-I209 HydrophobicContact CG2-CG2 4.1Å; V170-I209 HydrophobicContact CG2-CG1 4.45Å; I209-E219 CarbonylContact O-C 3.57Å; I209-E219 WeakPolarHBondContact O-CA 3.19Å; I209-K220 PolarHBondContact N-O 2.77Å; I209-K220 PolarHBondContact O-N 2.84Å; I209-F222 HydrophobicContact CD1-CD1 4.18Å; I209-F222 HydrophobicContact CD1-CE1 3.96Å; I209-F222 HydrophobicContact CG1-CD1 4.1Å; I209-F222 HydrophobicContact CG1-CE1 3.7Å |
| 210 | R | 94.2 | Very high | 86.9 | Confident | 80 Ų | 80 | 44.5 Ų | 44.5 | 30% | 0.302 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.3 | 178.9 | -178.6 | -177.4 | -66.7 | 160.3 | 0.4 | 109.7 | I168 D169 N212 A218 E219 | I168-R210 CarbonylContact C-O 3.58Å; I168-R210 WeakPolarHBondContact CA-O 3.28Å; D169-R210 HydrophobicContact CB-CB 4.42Å; D169-R210 PolarHBondContact N-O 2.7Å; D169-R210 PolarHBondContact O-N 2.86Å; R210-N212 VanDerWaalsContact CD-OD1 3.26Å; R210-N212 WeakPolarHBondContact CD-OD1 3.3Å; R210-N212 VanDerWaalsContact CG-OD1 3.23Å; R210-N212 WeakPolarHBondContact CG-OD1 3.31Å; R210-A218 CarbonylContact C-O 3.6Å; R210-A218 WeakPolarHBondContact CA-O 2.97Å; R210-E219 HydrophobicContact CB-CG 4.29Å; R210-E219 HydrophobicContact CG-CG 4.1Å; R210-E219 IonicContact CZ-OE1 3.68Å; R210-E219 IonicContact NE-OE1 2.78Å; R210-E219 PolarHBondContact NE-OE1 2.79Å; R210-E219 IonicContact NH2-OE1 3.28Å; R210-E219 PolarHBondContact NH2-OE1 3.34Å |
| 211 | A | 93.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 108 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | I132 I134 V151 V166 S167 S217 A218 | I132-A211 HydrophobicContact CG2-CB 3.79Å; I134-A211 HydrophobicContact CD1-CB 3.98Å; I134-A211 HydrophobicContact CG1-CB 4.39Å; V151-A211 HydrophobicContact CG1-CB 4.11Å; V166-A211 HydrophobicContact CG1-CB 3.8Å; S167-A211 CarbonylContact O-C 3.49Å; S167-A211 WeakPolarHBondContact O-CA 3.44Å; A211-S217 CarbonylContact O-C 3.55Å; A211-S217 VanDerWaalsContact O-CA 3.29Å; A211-S217 WeakPolarHBondContact O-CA 3.42Å; A211-A218 PolarHBondContact N-O 2.77Å; A211-A218 PolarHBondContact O-N 3.45Å |
| 212 | N | 90 | Very high | 87.3 | Confident | 39 Ų | 39 | 47.2 Ų | 47.2 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 109.1 | -177.2 | -66 | -34.6 | 0 | 0 | 0 | 109.9 | S167 D169 R210 S217 | S167-N212 PolarHBondContact N-O 3.44Å; S167-N212 PolarHBondContact O-N 3.28Å; S167-N212 WeakPolarHBondContact OG-CB 3.35Å; S167-N212 PolarHBondContact OG-O 3.05Å; S167-N212 VanDerWaalsContact OG-O 3.08Å; D169-N212 PolarHBondContact OD2-ND2 2.76Å; R210-N212 VanDerWaalsContact CD-OD1 3.26Å; R210-N212 WeakPolarHBondContact CD-OD1 3.3Å; R210-N212 VanDerWaalsContact CG-OD1 3.23Å; R210-N212 WeakPolarHBondContact CG-OD1 3.31Å; N212-S217 WeakPolarHBondContact OD1-CB 3.41Å |
| 213 | H | 82 | Confident | 87.4 | Confident | 27 Ų | 27 | 48.5 Ų | 48.5 | 13% | 0.125 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 149.3 | 157.7 | -173 | -49.8 | 0 | 0 | 0 | 107.6 | E130 I132 S164 R215 F216 | E130-H213 IonicContact OE2-CD2 3.02Å; E130-H213 IonicContact OE2-NE2 3.71Å; I132-H213 HydrophobicContact CD1-CB 3.94Å; S164-H213 PolarHBondContact OG-CD2 3.17Å; S164-H213 VanDerWaalsContact OG-CD2 3.24Å; H213-R215 PolarHBondContact O-N 2.94Å; H213-F216 HydrophobicContact CB-CD1 4Å; H213-F216 HydrophobicContact CB-CE1 3.61Å; H213-F216 HydrophobicContact CB-CE2 4.26Å; H213-F216 HydrophobicContact CB-CG 4.45Å; H213-F216 HydrophobicContact CB-CZ 3.73Å; H213-F216 AromaticContact CD2-CE1 3.69Å; H213-F216 AromaticContact CD2-CZ 3.89Å; H213-F216 AromaticContact CG-CE1 3.51Å; H213-F216 AromaticContact CG-CZ 3.92Å; H213-F216 PolarHBondContact N-O 2.77Å; H213-F216 PolarHBondContact O-N 2.68Å |
| 214 | E | 72.3 | Confident | 87.7 | Confident | 147 Ų | 147 | 47.4 Ų | 47.4 | 69% | 0.687 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -34.1 | -32.1 | -178.5 | -63.3 | -172.6 | 159.9 | 0 | 0 | 117 | ||
| 215 | R | 71.4 | Confident | 87.7 | Confident | 83 Ų | 83 | 45.6 Ų | 45.6 | 31% | 0.313 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | -17.3 | -174.5 | -52 | -179.1 | -168.5 | -171.8 | 2.1 | 115.4 | N94 A96 E127 H213 | N94-R215 PolarHBondContact O-NH2 3.25Å; N94-R215 VanDerWaalsContact O-NH2 3.11Å; A96-R215 PolarHBondContact O-NH1 3.42Å; A96-R215 VanDerWaalsContact O-NH1 3.12Å; E127-R215 HydrophobicContact CB-CB 4.25Å; H213-R215 PolarHBondContact O-N 2.94Å |
| 216 | F | 78.7 | Confident | 87.6 | Confident | 34 Ų | 34 | 46 Ų | 46 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 155.5 | -175.1 | 69.3 | -85.8 | 0 | 0 | 0 | 111.1 | E130 I132 H213 | E130-F216 HydrophobicContact CB-CE1 4.07Å; E130-F216 HydrophobicContact CB-CZ 3.63Å; E130-F216 VanDerWaalsContact O-CE2 3.23Å; E130-F216 WeakPolarHBondContact O-CE2 3.5Å; E130-F216 WeakPolarHBondContact O-CZ 3.23Å; I132-F216 HydrophobicContact CB-CE2 4.4Å; I132-F216 HydrophobicContact CD1-CD2 4.29Å; I132-F216 HydrophobicContact CD1-CE2 3.41Å; I132-F216 VanDerWaalsContact CD1-CE2 3.41Å; I132-F216 HydrophobicContact CD1-CZ 3.76Å; I132-F216 HydrophobicContact CG1-CE2 3.66Å; I132-F216 HydrophobicContact CG1-CZ 4.04Å; H213-F216 HydrophobicContact CB-CD1 4Å; H213-F216 HydrophobicContact CB-CE1 3.61Å; H213-F216 HydrophobicContact CB-CE2 4.26Å; H213-F216 HydrophobicContact CB-CG 4.45Å; H213-F216 HydrophobicContact CB-CZ 3.73Å; H213-F216 AromaticContact CD2-CE1 3.69Å; H213-F216 AromaticContact CD2-CZ 3.89Å; H213-F216 AromaticContact CG-CE1 3.51Å; H213-F216 AromaticContact CG-CZ 3.92Å; H213-F216 PolarHBondContact N-O 2.77Å; H213-F216 PolarHBondContact O-N 2.68Å |
| 217 | S | 88 | Confident | 87.3 | Confident | 72 Ų | 72 | 43.4 Ų | 43.4 | 50% | 0.503 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139.5 | -174.8 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | A211 N212 | A211-S217 CarbonylContact O-C 3.55Å; A211-S217 VanDerWaalsContact O-CA 3.29Å; A211-S217 WeakPolarHBondContact O-CA 3.42Å; N212-S217 WeakPolarHBondContact OD1-CB 3.41Å |
| 218 | A | 89.9 | Confident | 86.7 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 15% | 0.149 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 145.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I132 I134 R210 A211 | I132-A218 HydrophobicContact CB-CB 3.78Å; I132-A218 HydrophobicContact CG2-CB 3.94Å; I132-A218 VanDerWaalsContact O-CB 3.22Å; I132-A218 WeakPolarHBondContact O-CB 3.36Å; I134-A218 HydrophobicContact CD1-CB 4.43Å; R210-A218 CarbonylContact C-O 3.6Å; R210-A218 WeakPolarHBondContact CA-O 2.97Å; A211-A218 PolarHBondContact N-O 2.77Å; A211-A218 PolarHBondContact O-N 3.45Å |
| 219 | E | 92.3 | Very high | 86.1 | Confident | 101 Ų | 101 | 51.6 Ų | 51.6 | 47% | 0.472 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 142.5 | -173.4 | -76.7 | -168.2 | 165.7 | 0 | 0 | 112.3 | L208 I209 R210 | L208-E219 HydrophobicContact CD1-CB 3.95Å; L208-E219 HydrophobicContact CD1-CG 4.26Å; I209-E219 CarbonylContact O-C 3.57Å; I209-E219 WeakPolarHBondContact O-CA 3.19Å; R210-E219 HydrophobicContact CB-CG 4.29Å; R210-E219 HydrophobicContact CG-CG 4.1Å; R210-E219 IonicContact CZ-OE1 3.68Å; R210-E219 IonicContact NE-OE1 2.78Å; R210-E219 PolarHBondContact NE-OE1 2.79Å; R210-E219 IonicContact NH2-OE1 3.28Å; R210-E219 PolarHBondContact NH2-OE1 3.34Å |
| 220 | K | 90 | Very high | 85.5 | Confident | 45 Ų | 45 | 51.8 Ų | 51.8 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 129.7 | 175.9 | -169 | 69.2 | 170 | -167.9 | 0 | 111.8 | I134 V136 I209 A605 | I134-K220 HydrophobicContact CB-CB 3.7Å; I134-K220 HydrophobicContact CB-CG 4.2Å; I134-K220 HydrophobicContact CD1-CB 4Å; I134-K220 HydrophobicContact CG1-CB 4.44Å; I134-K220 HydrophobicContact CG2-CB 3.63Å; I134-K220 HydrophobicContact CG2-CG 4.01Å; V136-K220 HydrophobicContact CG1-CG 4.26Å; I209-K220 PolarHBondContact N-O 2.77Å; I209-K220 PolarHBondContact O-N 2.84Å; K220-A605 WeakPolarHBondContact CE-O 3.26Å; K220-A605 PolarHBondContact NZ-O 3.49Å |
| 221 | T | 90.7 | Very high | 85 | Confident | 86 Ų | 86 | 48.7 Ų | 48.7 | 53% | 0.528 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 146 | -179.4 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | V206 W207 L208 | V206-T221 HydrophobicContact CG1-CG2 3.86Å; W207-T221 CarbonylContact O-C 3.5Å; W207-T221 VanDerWaalsContact O-CA 3.23Å; W207-T221 WeakPolarHBondContact O-CA 3.5Å; L208-T221 HydrophobicContact CD1-CG2 3.63Å |
| 222 | F | 89.6 | Confident | 84.7 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 159.4 | 168.5 | 65.7 | -86.3 | 0 | 0 | 0 | 110.1 | Y141 V147 F196 W207 I209 V224 | Y141-F222 AromaticContact CD2-CD2 3.63Å; Y141-F222 HydrophobicContact CD2-CD2 3.63Å; Y141-F222 HydrophobicContact CD2-CE2 4.16Å; Y141-F222 HydrophobicContact CD2-CG 4.4Å; Y141-F222 HydrophobicContact CE2-CB 4.46Å; Y141-F222 AromaticContact CE2-CD2 4Å; Y141-F222 HydrophobicContact CE2-CD2 4Å; Y141-F222 HydrophobicContact CE2-CG 4.36Å; V147-F222 HydrophobicContact CG1-CE1 4.47Å; V147-F222 HydrophobicContact CG1-CE2 4.38Å; V147-F222 HydrophobicContact CG1-CZ 4.19Å; V147-F222 HydrophobicContact CG2-CE2 4.05Å; V147-F222 HydrophobicContact CG2-CZ 4.34Å; F196-F222 AromaticContact CZ-CZ 3.93Å; F196-F222 HydrophobicContact CZ-CZ 3.93Å; W207-F222 HydrophobicContact CB-CD1 4.12Å; W207-F222 HydrophobicContact CB-CD2 4.04Å; W207-F222 HydrophobicContact CB-CE1 3.62Å; W207-F222 HydrophobicContact CB-CE2 3.55Å; W207-F222 HydrophobicContact CB-CG 4.31Å; W207-F222 HydrophobicContact CB-CZ 3.3Å; W207-F222 HydrophobicContact CD2-CE2 4.34Å; W207-F222 HydrophobicContact CD2-CZ 4.17Å; W207-F222 HydrophobicContact CE3-CZ 4.03Å; W207-F222 AromaticContact CG-CE2 3.93Å; W207-F222 HydrophobicContact CG-CE2 3.93Å; W207-F222 AromaticContact CG-CZ 3.92Å; W207-F222 HydrophobicContact CG-CZ 3.92Å; W207-F222 PolarHBondContact N-O 2.81Å; W207-F222 PolarHBondContact O-N 2.99Å; I209-F222 HydrophobicContact CD1-CD1 4.18Å; I209-F222 HydrophobicContact CD1-CE1 3.96Å; I209-F222 HydrophobicContact CG1-CD1 4.1Å; I209-F222 HydrophobicContact CG1-CE1 3.7Å; F222-V224 HydrophobicContact CD2-CG2 3.96Å; F222-V224 HydrophobicContact CE2-CG2 3.53Å |
| 223 | Q | 87.8 | Confident | 84.6 | Confident | 28 Ų | 28 | 48.4 Ų | 48.4 | 13% | 0.131 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 138.7 | -176.2 | -172.9 | 170.1 | 19.9 | 0 | 0 | 111.9 | P139 I140 Y141 G205 K225 I735 | P139-Q223 PolarHBondContact O-N 2.87Å; I140-Q223 CarbonylContact C-O 3.51Å; I140-Q223 VanDerWaalsContact CA-O 3.26Å; I140-Q223 WeakPolarHBondContact CA-O 3.27Å; I140-Q223 HydrophobicContact CG1-CB 4.1Å; I140-Q223 HydrophobicContact CG1-CG 4.39Å; I140-Q223 WeakPolarHBondContact CG1-O 3.2Å; Y141-Q223 PolarHBondContact N-O 3.48Å; G205-Q223 WeakPolarHBondContact O-CA 3.41Å; Q223-K225 VanDerWaalsContact CD-CE 3.49Å; Q223-K225 HydrophobicContact CG-CG 4.25Å; Q223-I735 HydrophobicContact CB-CD1 4.18Å |
| 224 | V | 89.5 | Confident | 85 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.6 | 172.5 | -177 | 0 | 0 | 0 | 0 | 109.1 | Y141 L198 V202 E204 G205 W207 F222 | Y141-V224 VanDerWaalsContact O-CA 3.28Å; Y141-V224 WeakPolarHBondContact O-CA 3.39Å; L198-V224 HydrophobicContact CD1-CG1 4.15Å; L198-V224 HydrophobicContact CD1-CG2 4.21Å; V202-V224 HydrophobicContact CB-CG1 4.44Å; V202-V224 HydrophobicContact CG2-CG1 3.61Å; E204-V224 WeakPolarHBondContact CA-O 3.46Å; G205-V224 PolarHBondContact N-O 2.85Å; G205-V224 PolarHBondContact O-N 3.46Å; W207-V224 HydrophobicContact CB-CG2 4.46Å; W207-V224 HydrophobicContact CD2-CG2 3.99Å; W207-V224 HydrophobicContact CG-CB 4.46Å; W207-V224 HydrophobicContact CG-CG2 3.7Å; F222-V224 HydrophobicContact CD2-CG2 3.96Å; F222-V224 HydrophobicContact CE2-CG2 3.53Å |
| 225 | K | 85.9 | Confident | 85.9 | Confident | 50 Ų | 50 | 41.3 Ų | 41.3 | 22% | 0.217 | 20% | 0.197 | C | C | . | . | trans | -125.9 | 144.5 | 174 | -60.2 | -173 | 178 | 179.7 | 0 | 110 | I140 Y141 H142 Q223 Y227 N736 W745 | I140-K225 HydrophobicContact CD1-CD 4.08Å; I140-K225 HydrophobicContact CD1-CG 4.24Å; Y141-K225 PolarHBondContact O-N 3.36Å; H142-K225 VanDerWaalsContact CA-O 3.22Å; H142-K225 WeakPolarHBondContact CA-O 3.05Å; H142-K225 WeakPolarHBondContact CB-O 3.46Å; Q223-K225 VanDerWaalsContact CD-CE 3.49Å; Q223-K225 HydrophobicContact CG-CG 4.25Å; K225-Y227 PolarHBondContact O-N 2.75Å; K225-N736 PolarHBondContact NZ-OD1 2.78Å; K225-N736 VanDerWaalsContact NZ-OD1 3.13Å; K225-W745 HydrophobicContact CB-CH2 3.93Å; K225-W745 HydrophobicContact CB-CZ2 4.47Å; K225-W745 HydrophobicContact CG-CH2 4.44Å | ||
| 226 | E | 83.6 | Confident | 86.7 | Confident | 33 Ų | 33 | 37.6 Ų | 37.6 | 15% | 0.154 | 18% | 0.184 | C | C | . | . | trans | -74.9 | 126.5 | 169.7 | -168.1 | 178.5 | 148.7 | 0 | 0 | 109.2 | Q143 E204 W228 R1060 R1493 | Q143-E226 VanDerWaalsContact OE1-CA 3.32Å; E204-E226 HydrophobicContact CG-CB 4.03Å; E204-E226 WeakPolarHBondContact OE1-CB 3.43Å; E226-W228 WeakPolarHBondContact OE1-CZ2 3.42Å; E226-W228 PolarHBondContact OE1-NE1 2.83Å; E226-R1060 IonicContact OE2-CZ 2.69Å; E226-R1060 IonicContact OE2-NH1 3.03Å; E226-R1060 PolarHBondContact OE2-NH1 3.02Å; E226-R1060 IonicContact OE2-NH2 3.54Å; E226-R1060 PolarHBondContact OE2-NH2 3.18Å; E226-R1493 IonicContact OE1-NH1 3.53Å; E226-R1493 IonicContact OE2-CZ 3.81Å; E226-R1493 IonicContact OE2-NH1 3.54Å; E226-R1493 PolarHBondContact OE2-NH1 3.15Å | ||
| 227 | Y | 83.1 | Confident | 87.2 | Confident | 33 Ų | 33 | 39.1 Ų | 39.1 | 13% | 0.129 | 20% | 0.196 | C | C | . | . | trans | -135.7 | 125.4 | -176.3 | 175.5 | -99.2 | 0 | 0 | 0 | 110.3 | Q143 K225 R229 P230 N742 W745 | Q143-Y227 PolarHBondContact NE2-O 3.27Å; Q143-Y227 PolarHBondContact OE1-O 3.22Å; K225-Y227 PolarHBondContact O-N 2.75Å; Y227-R229 HydrophobicContact CE1-CB 4.45Å; Y227-P230 WeakPolarHBondContact OH-CD 3.49Å; Y227-N742 VanDerWaalsContact CE1-OD1 3.29Å; Y227-N742 WeakPolarHBondContact CE1-OD1 3.2Å; Y227-N742 WeakPolarHBondContact OH-CA 3.48Å; Y227-N742 WeakPolarHBondContact OH-CB 2.99Å; Y227-N742 VanDerWaalsContact OH-CG 3.3Å; Y227-N742 PolarHBondContact OH-N 2.79Å; Y227-N742 PolarHBondContact OH-OD1 2.77Å; Y227-W745 HydrophobicContact CD1-CB 4.36Å; Y227-W745 AromaticContact CD1-CD1 3.44Å; Y227-W745 VanDerWaalsContact CD1-CD1 3.44Å; Y227-W745 HydrophobicContact CD1-CD2 4.27Å; Y227-W745 AromaticContact CD1-CG 3.78Å; Y227-W745 HydrophobicContact CD1-CG 3.78Å; Y227-W745 AromaticContact CD1-NE1 3.71Å; Y227-W745 AromaticContact CD2-CD1 3.76Å; Y227-W745 AromaticContact CD2-CE2 3.86Å; Y227-W745 HydrophobicContact CD2-CZ2 4.34Å; Y227-W745 AromaticContact CD2-NE1 3.21Å; Y227-W745 HydrophobicContact CE1-CB 4.41Å; Y227-W745 AromaticContact CE1-CD1 3.36Å; Y227-W745 AromaticContact CE1-CG 3.99Å; Y227-W745 HydrophobicContact CE1-CG 3.99Å; Y227-W745 AromaticContact CE1-NE1 3.89Å; Y227-W745 AromaticContact CE2-CD1 3.68Å; Y227-W745 AromaticContact CE2-NE1 3.41Å; Y227-W745 AromaticContact CG-CD1 3.63Å; Y227-W745 HydrophobicContact CG-CD2 4.19Å; Y227-W745 AromaticContact CG-CE2 3.71Å; Y227-W745 HydrophobicContact CG-CG 4.12Å; Y227-W745 HydrophobicContact CG-CZ2 4.28Å; Y227-W745 AromaticContact CG-NE1 3.36Å; Y227-W745 AromaticContact CZ-CD1 3.48Å; Y227-W745 VanDerWaalsContact CZ-CD1 3.48Å; Y227-W745 AromaticContact CZ-NE1 3.75Å | ||
| 228 | W | 79.9 | Confident | 87.1 | Confident | 69 Ų | 69 | 36.5 Ų | 36.5 | 26% | 0.261 | 18% | 0.176 | S | C | . | . | trans | -111.2 | 123.4 | 173.5 | -61.6 | 101.4 | 0 | 0 | 0 | 108.1 | E226 P230 N1489 | E226-W228 WeakPolarHBondContact OE1-CZ2 3.42Å; E226-W228 PolarHBondContact OE1-NE1 2.83Å; W228-P230 WeakPolarHBondContact O-CD 3.22Å; W228-N1489 HydrophobicContact CD2-CB 3.64Å; W228-N1489 HydrophobicContact CE3-CB 4.06Å; W228-N1489 HydrophobicContact CG-CB 3.87Å; W228-N1489 HydrophobicContact CZ2-CB 4.34Å; W228-N1489 WeakPolarHBondContact CZ3-ND2 2.98Å | ||
| 229 | R | 81.2 | Confident | 86.8 | Confident | 135 Ų | 135 | 36.4 Ų | 36.4 | 51% | 0.509 | 17% | 0.174 | S | C | . | . | trans | -54.9 | 111.3 | -179 | 175.7 | 175.6 | 175.2 | -179.1 | -0.3 | 110.2 | Y227 T258 | Y227-R229 HydrophobicContact CE1-CB 4.45Å; R229-T258 HydrophobicContact CG-CG2 3.98Å; R229-T258 PolarHBondContact NE-OG1 3.02Å; R229-T258 PolarHBondContact NH2-OG1 2.71Å | ||
| 230 | P | 82.5 | Confident | 86 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | trans | -75.5 | 167.5 | 170.8 | 34.4 | -31.3 | 0 | 0 | 0 | 109.4 | Y227 W228 W232 D233 T258 | Y227-P230 WeakPolarHBondContact OH-CD 3.49Å; W228-P230 WeakPolarHBondContact O-CD 3.22Å; P230-W232 VanDerWaalsContact C-N 3.3Å; P230-D233 WeakPolarHBondContact CG-OD1 3.2Å; P230-T258 WeakPolarHBondContact O-CG2 3.38Å | ||
| 231 | L | 83.3 | Confident | 85.3 | Confident | 14 Ų | 14 | 33.3 Ų | 33.3 | 7% | 0.073 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -69.3 | -33 | 178.3 | -58.6 | -179.8 | 0 | 0 | 0 | 112 | T258 I1486 Y1535 | L231-T258 WeakPolarHBondContact O-CG2 3.38Å; L231-T258 PolarHBondContact O-N 3.32Å; L231-I1486 HydrophobicContact CD2-CD1 3.94Å; L231-I1486 HydrophobicContact CD2-CG2 4.35Å; L231-Y1535 HydrophobicContact CB-CD2 4.17Å; L231-Y1535 HydrophobicContact CB-CE2 3.92Å; L231-Y1535 HydrophobicContact CD1-CD2 3.87Å; L231-Y1535 HydrophobicContact CD1-CE2 4.47Å; L231-Y1535 HydrophobicContact CD1-CG 4.37Å; L231-Y1535 HydrophobicContact CD2-CD1 4.05Å; L231-Y1535 HydrophobicContact CD2-CD2 3.73Å; L231-Y1535 HydrophobicContact CD2-CE1 4.26Å; L231-Y1535 HydrophobicContact CD2-CE2 3.98Å; L231-Y1535 HydrophobicContact CD2-CG 3.77Å; L231-Y1535 HydrophobicContact CG-CD2 4.12Å; L231-Y1535 HydrophobicContact CG-CE2 4.33Å |
| 232 | W | 87.6 | Confident | 85 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.015 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 152.7 | 179.5 | 58.7 | -83.8 | 0 | 0 | 0 | 110.7 | P230 V234 A255 N256 Y257 V263 Y333 N335 E338 T340 R342 | P230-W232 VanDerWaalsContact C-N 3.3Å; W232-V234 HydrophobicContact CE3-CG2 4.09Å; W232-V234 HydrophobicContact CH2-CG2 4.48Å; W232-V234 HydrophobicContact CZ3-CG2 3.57Å; W232-A255 HydrophobicContact CE3-CB 4.31Å; W232-A255 HydrophobicContact CZ3-CB 4.18Å; W232-N256 VanDerWaalsContact CA-O 3.3Å; W232-N256 WeakPolarHBondContact CA-O 3Å; W232-N256 WeakPolarHBondContact CB-O 3.5Å; W232-Y257 HydrophobicContact CB-CD1 3.8Å; W232-Y257 HydrophobicContact CB-CE1 4.3Å; W232-Y257 HydrophobicContact CB-CG 4.26Å; W232-Y257 HydrophobicContact CG-CD1 4.37Å; W232-Y257 HydrophobicContact CG-CE1 4.41Å; W232-V263 HydrophobicContact CB-CG2 3.78Å; W232-V263 HydrophobicContact CD2-CG1 4.4Å; W232-V263 HydrophobicContact CD2-CG2 4.05Å; W232-V263 HydrophobicContact CE3-CB 4.42Å; W232-V263 HydrophobicContact CE3-CG1 4.25Å; W232-V263 HydrophobicContact CE3-CG2 3.88Å; W232-V263 HydrophobicContact CG-CG2 4.04Å; W232-V263 HydrophobicContact CZ3-CG1 4.35Å; W232-Y333 AromaticContact CH2-CD1 3.76Å; W232-Y333 HydrophobicContact CH2-CD1 3.76Å; W232-Y333 HydrophobicContact CH2-CG 4.29Å; W232-Y333 WeakPolarHBondContact CH2-O 3.35Å; W232-Y333 AromaticContact CZ3-CD1 3.57Å; W232-Y333 HydrophobicContact CZ3-CD1 3.57Å; W232-Y333 AromaticContact CZ3-CG 3.94Å; W232-Y333 HydrophobicContact CZ3-CG 3.94Å; W232-N335 HydrophobicContact CH2-CB 4.21Å; W232-N335 HydrophobicContact CZ2-CB 3.69Å; W232-E338 PolarHBondContact NE1-OE2 3.34Å; W232-T340 PolarHBondContact NE1-OG1 2.85Å; W232-R342 HydrophobicContact CD2-CB 4.43Å; W232-R342 HydrophobicContact CD2-CG 4.15Å; W232-R342 HydrophobicContact CE3-CB 4.16Å; W232-R342 HydrophobicContact CE3-CG 4.38Å; W232-R342 HydrophobicContact CH2-CB 3.68Å; W232-R342 HydrophobicContact CH2-CG 4.12Å; W232-R342 HydrophobicContact CZ2-CB 3.93Å; W232-R342 HydrophobicContact CZ2-CG 3.84Å; W232-R342 HydrophobicContact CZ3-CB 3.81Å; W232-R342 HydrophobicContact CZ3-CG 4.39Å |
| 233 | D | 88.2 | Confident | 84.6 | Confident | 30 Ų | 30 | 30.2 Ų | 30.2 | 16% | 0.16 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 157.7 | -177.8 | -70 | -40.4 | 0 | 0 | 0 | 111.6 | P230 A255 N256 L741 N742 | P230-D233 WeakPolarHBondContact CG-OD1 3.2Å; D233-A255 VanDerWaalsContact O-CA 3.27Å; D233-A255 WeakPolarHBondContact O-CA 3.45Å; D233-N256 PolarHBondContact N-O 3.29Å; D233-N256 PolarHBondContact O-N 3.35Å; D233-L741 HydrophobicContact CB-CD2 3.75Å; D233-N742 WeakPolarHBondContact OD2-CB 3.48Å; D233-N742 PolarHBondContact OD2-N 2.85Å |
| 234 | V | 90.4 | Very high | 84.3 | Confident | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.03 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 107.1 | 173.6 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | W232 V236 I253 A255 V331 Y333 R342 G344 | W232-V234 HydrophobicContact CE3-CG2 4.09Å; W232-V234 HydrophobicContact CH2-CG2 4.48Å; W232-V234 HydrophobicContact CZ3-CG2 3.57Å; V234-V236 HydrophobicContact CG1-CG2 4.31Å; V234-I253 HydrophobicContact CG1-CG2 4.17Å; V234-A255 HydrophobicContact CG2-CB 4.31Å; V234-V331 HydrophobicContact CG1-CB 4.32Å; V234-V331 HydrophobicContact CG1-CG1 4.09Å; V234-Y333 VanDerWaalsContact CG2-CB 3.46Å; V234-Y333 HydrophobicContact CG2-CG 4.25Å; V234-R342 HydrophobicContact CG2-CB 3.99Å; V234-G344 WeakPolarHBondContact O-CA 3.47Å |
| 235 | N | 89.4 | Confident | 83.8 | Confident | 19 Ų | 19 | 35.7 Ų | 35.7 | 10% | 0.102 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 130.7 | 171.2 | -173.7 | 21.5 | 0 | 0 | 0 | 110.3 | T237 I253 S254 L741 | N235-T237 PolarHBondContact ND2-OG1 3.01Å; N235-I253 CarbonylContact O-C 3.47Å; N235-I253 WeakPolarHBondContact O-CA 3.33Å; N235-S254 WeakPolarHBondContact CB-O 3.03Å; N235-S254 PolarHBondContact N-O 3.32Å; N235-S254 PolarHBondContact O-N 3.22Å; N235-L741 HydrophobicContact CB-CD1 3.63Å; N235-L741 HydrophobicContact CB-CD2 4.08Å; N235-L741 HydrophobicContact CB-CG 4.48Å |
| 236 | V | 89.9 | Confident | 83.7 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.03 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 108.4 | 172.7 | -173.7 | 0 | 0 | 0 | 0 | 107.5 | V234 L238 L252 V329 V331 A346 | V234-V236 HydrophobicContact CG1-CG2 4.31Å; V236-L238 HydrophobicContact CG1-CD2 4.43Å; V236-L238 HydrophobicContact CG1-CG 4.31Å; V236-L252 WeakPolarHBondContact CA-O 3.48Å; V236-V329 HydrophobicContact CG1-CG1 4.22Å; V236-V331 HydrophobicContact CB-CG2 4.45Å; V236-V331 HydrophobicContact CG1-CG2 4.04Å; V236-V331 HydrophobicContact CG2-CB 3.74Å; V236-V331 HydrophobicContact CG2-CG2 3.5Å; V236-V331 VanDerWaalsContact CG2-CG2 3.5Å; V236-A346 HydrophobicContact CB-CB 3.99Å; V236-A346 HydrophobicContact CG1-CB 3.92Å; V236-A346 VanDerWaalsContact O-CB 3.26Å; V236-A346 WeakPolarHBondContact O-CB 3.29Å |
| 237 | T | 87.8 | Confident | 83.8 | Confident | 67 Ų | 67 | 43.5 Ų | 43.5 | 41% | 0.411 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 117.4 | 178.2 | -51.9 | 0 | 0 | 0 | 0 | 109.1 | N235 G251 L252 | N235-T237 PolarHBondContact ND2-OG1 3.01Å; T237-G251 WeakPolarHBondContact O-CA 3.46Å; T237-L252 PolarHBondContact N-O 2.73Å; T237-L252 PolarHBondContact O-N 3.37Å |
| 238 | L | 86.5 | Confident | 84 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 9% | 0.089 | 21% | 0.209 | C | C | . | . | trans | -117.8 | 155.2 | 172.1 | -60.5 | 177.6 | 0 | 0 | 0 | 110.2 | V236 L240 L249 F302 V329 A346 | V236-L238 HydrophobicContact CG1-CD2 4.43Å; V236-L238 HydrophobicContact CG1-CG 4.31Å; L238-L240 PolarHBondContact O-N 3.36Å; L238-L249 HydrophobicContact CD2-CD1 4.39Å; L238-F302 HydrophobicContact CD2-CZ 3.83Å; L238-V329 HydrophobicContact CD1-CB 3.9Å; L238-V329 HydrophobicContact CD1-CG2 3.57Å; L238-V329 HydrophobicContact CD2-CG2 4.05Å; L238-V329 HydrophobicContact CG-CG2 4.43Å; L238-A346 HydrophobicContact CB-CB 4.38Å; L238-A346 HydrophobicContact CD1-CB 3.59Å; L238-A346 WeakPolarHBondContact CD1-O 2.97Å; L238-A346 HydrophobicContact CG-CB 3.77Å | ||
| 239 | P | 84.1 | Confident | 84.5 | Confident | 15 Ų | 15 | 38.9 Ų | 38.9 | 10% | 0.097 | 20% | 0.196 | C | C | . | . | trans | -62.4 | 125 | 162.6 | 28.2 | -33.4 | 0 | 0 | 0 | 108.5 | R241 L249 Y250 T348 | P239-R241 PolarHBondContact O-N 3.4Å; P239-R241 VanDerWaalsContact O-N 3.15Å; P239-L249 HydrophobicContact CG-CD1 4.09Å; P239-Y250 HydrophobicContact CB-CE1 4.21Å; P239-Y250 VanDerWaalsContact CD-O 3.26Å; P239-Y250 WeakPolarHBondContact CD-O 3.43Å; P239-Y250 HydrophobicContact CG-CD1 4.36Å; P239-Y250 HydrophobicContact CG-CE1 3.92Å; P239-T348 WeakPolarHBondContact O-CB 3.48Å; P239-T348 PolarHBondContact O-OG1 3.19Å | ||
| 240 | L | 74.5 | Confident | 85 | Confident | 28 Ų | 28 | 38.3 Ų | 38.3 | 15% | 0.147 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -67 | -19.1 | -176.1 | -51.1 | 154.5 | 0 | 0 | 0 | 112.6 | L238 T348 K349 F636 T737 | L238-L240 PolarHBondContact O-N 3.36Å; L240-T348 PolarHBondContact O-OG1 2.96Å; L240-K349 PolarHBondContact O-N 2.76Å; L240-F636 HydrophobicContact CB-CD1 4.04Å; L240-F636 HydrophobicContact CB-CE1 3.37Å; L240-F636 HydrophobicContact CB-CE2 4.37Å; L240-F636 HydrophobicContact CB-CZ 3.53Å; L240-F636 HydrophobicContact CD1-CB 4.21Å; L240-F636 HydrophobicContact CD1-CD1 3.28Å; L240-F636 HydrophobicContact CD1-CD2 3.78Å; L240-F636 HydrophobicContact CD1-CE1 3.51Å; L240-F636 HydrophobicContact CD1-CE2 3.9Å; L240-F636 HydrophobicContact CD1-CG 3.46Å; L240-F636 VanDerWaalsContact CD1-CG 3.46Å; L240-F636 HydrophobicContact CD1-CZ 3.78Å; L240-F636 HydrophobicContact CG-CD1 4.21Å; L240-F636 HydrophobicContact CG-CE1 3.92Å; L240-F636 HydrophobicContact CG-CE2 4.29Å; L240-F636 HydrophobicContact CG-CZ 3.92Å; L240-T737 HydrophobicContact CD2-CG2 4.32Å |
| 241 | R | 76.6 | Confident | 85.4 | Confident | 54 Ų | 54 | 38.2 Ų | 38.2 | 20% | 0.204 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.4 | 173.5 | 65.5 | -174.1 | 175 | 133.3 | -7.1 | 110.6 | P239 Y351 D383 S385 D635 F636 | P239-R241 PolarHBondContact O-N 3.4Å; P239-R241 VanDerWaalsContact O-N 3.15Å; R241-Y351 HydrophobicContact CB-CD2 4.05Å; R241-Y351 HydrophobicContact CB-CE2 3.93Å; R241-D383 IonicContact CZ-OD2 3.15Å; R241-D383 IonicContact NE-OD2 2.67Å; R241-D383 IonicContact NH1-OD1 2.71Å; R241-D383 PolarHBondContact NH1-OD1 2.82Å; R241-D383 IonicContact NH1-OD2 2.76Å; R241-D383 PolarHBondContact NH1-OD2 2.63Å; R241-S385 PolarHBondContact NH1-OG 3.08Å; R241-D635 IonicContact NH2-OD1 3.32Å; R241-D635 PolarHBondContact NH2-OD1 3.49Å; R241-F636 HydrophobicContact CG-CE1 4.03Å; R241-F636 HydrophobicContact CG-CZ 3.99Å |
| 242 | I | 83.1 | Confident | 85.8 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 143.9 | 174.5 | 179.6 | 150.9 | 0 | 0 | 0 | 109.2 | Q246 L249 M306 T348 K349 V350 Y351 | I242-Q246 HydrophobicContact CD1-CB 4.14Å; I242-Q246 HydrophobicContact CG1-CB 4.06Å; I242-Q246 HydrophobicContact CG1-CG 4.24Å; I242-L249 HydrophobicContact CD1-CB 4.3Å; I242-L249 HydrophobicContact CD1-CD1 4.31Å; I242-M306 HydrophobicContact CD1-CE 3.76Å; I242-M306 HydrophobicContact CG1-CE 3.8Å; I242-T348 HydrophobicContact CG2-CG2 4.13Å; I242-K349 PolarHBondContact N-O 3.36Å; I242-K349 VanDerWaalsContact N-O 3.08Å; I242-V350 HydrophobicContact CG2-CB 4.23Å; I242-V350 HydrophobicContact CG2-CG1 4.41Å; I242-V350 HydrophobicContact CG2-CG2 3.78Å; I242-V350 CarbonylContact O-C 3.5Å; I242-V350 WeakPolarHBondContact O-CA 3.23Å; I242-Y351 PolarHBondContact O-N 3.13Å |
| 243 | T | 82.2 | Confident | 86.1 | Confident | 24 Ų | 24 | 41.4 Ų | 41.4 | 15% | 0.147 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 150.4 | 171.7 | 62.2 | 0 | 0 | 0 | 0 | 110.7 | N245 Q246 M306 Y351 M381 | T243-N245 PolarHBondContact O-N 3.37Å; T243-N245 VanDerWaalsContact O-N 3.07Å; T243-Q246 PolarHBondContact O-N 3.25Å; T243-Q246 VanDerWaalsContact O-N 3.12Å; T243-Q246 WeakPolarHBondContact OG1-CG 3.39Å; T243-M306 WeakPolarHBondContact O-CE 3.44Å; T243-Y351 CarbonylContact C-O 3.54Å; T243-Y351 WeakPolarHBondContact CA-O 3.49Å; T243-M381 HydrophobicContact CG2-CE 4.25Å |
| 244 | D | 80.7 | Confident | 86.2 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -16.2 | -179.3 | 61.3 | 10 | 0 | 0 | 0 | 114.9 | R310 L322 V350 Y351 S352 S353 | D244-R310 PolarHBondContact O-NH2 3Å; D244-L322 HydrophobicContact CB-CB 4.39Å; D244-V350 HydrophobicContact CB-CG1 4.25Å; D244-Y351 PolarHBondContact N-O 3.44Å; D244-S352 WeakPolarHBondContact OD2-CA 3.4Å; D244-S352 PolarHBondContact OD2-OG 3.28Å; D244-S353 VanDerWaalsContact CG-N 3.35Å; D244-S353 WeakPolarHBondContact OD1-CA 3.4Å; D244-S353 WeakPolarHBondContact OD1-CB 3.39Å; D244-S353 PolarHBondContact OD1-N 2.85Å; D244-S353 PolarHBondContact OD1-OG 2.8Å; D244-S353 PolarHBondContact OD2-N 2.57Å |
| 245 | N | 80.1 | Confident | 86.2 | Confident | 119 Ų | 119 | 40.9 Ų | 40.9 | 64% | 0.636 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 4.3 | 178.8 | -163.7 | 24.5 | 0 | 0 | 0 | 114.1 | T243 S353 | T243-N245 PolarHBondContact O-N 3.37Å; T243-N245 VanDerWaalsContact O-N 3.07Å; N245-S353 WeakPolarHBondContact CB-OG 3.42Å |
| 246 | Q | 82.5 | Confident | 86.2 | Confident | 75 Ų | 75 | 42.1 Ų | 42.1 | 35% | 0.35 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -66 | 151.2 | 170.8 | -73.5 | -173.6 | 6.1 | 0 | 0 | 111 | I242 T243 G248 M306 | I242-Q246 HydrophobicContact CD1-CB 4.14Å; I242-Q246 HydrophobicContact CG1-CB 4.06Å; I242-Q246 HydrophobicContact CG1-CG 4.24Å; T243-Q246 PolarHBondContact O-N 3.25Å; T243-Q246 VanDerWaalsContact O-N 3.12Å; T243-Q246 WeakPolarHBondContact OG1-CG 3.39Å; Q246-G248 PolarHBondContact O-N 3.5Å; Q246-M306 WeakPolarHBondContact O-CB 3.23Å |
| 247 | L | 86 | Confident | 86 | Confident | 171 Ų | 171 | 43 Ų | 43 | 90% | 0.895 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -56.1 | -37.8 | -179.4 | -70.6 | 168.5 | 0 | 0 | 0 | 112.2 | M306 | L247-M306 PolarHBondContact O-N 2.97Š|
| 248 | G | 87.9 | Confident | 85.6 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 6% | 0.062 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.7 | 169.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q246 L304 | Q246-G248 PolarHBondContact O-N 3.5Å; G248-L304 CarbonylContact C-O 3.53Å; G248-L304 WeakPolarHBondContact CA-O 3.44Å |
| 249 | L | 90 | Very high | 85.2 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 116.8 | 170 | 176.6 | 64.8 | 0 | 0 | 0 | 108.9 | L238 P239 I242 L303 L304 I327 V329 T348 | L238-L249 HydrophobicContact CD2-CD1 4.39Å; P239-L249 HydrophobicContact CG-CD1 4.09Å; I242-L249 HydrophobicContact CD1-CB 4.3Å; I242-L249 HydrophobicContact CD1-CD1 4.31Å; L249-L303 WeakPolarHBondContact O-CA 3.44Å; L249-L304 HydrophobicContact CB-CB 4.39Å; L249-L304 PolarHBondContact N-O 2.92Å; L249-L304 PolarHBondContact O-N 3.41Å; L249-I327 HydrophobicContact CD2-CB 4.38Å; L249-I327 HydrophobicContact CD2-CD1 4.2Å; L249-I327 HydrophobicContact CD2-CG2 3.68Å; L249-V329 HydrophobicContact CD2-CG2 4.12Å; L249-T348 HydrophobicContact CD1-CG2 3.79Å; L249-T348 HydrophobicContact CD2-CG2 4.46Å |
| 250 | Y | 91.7 | Very high | 85 | Confident | 123 Ų | 123 | 41.7 Ų | 41.7 | 48% | 0.482 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 142.4 | 169.5 | 76.8 | -86.4 | 0 | 0 | 0 | 109.7 | P239 F302 | P239-Y250 HydrophobicContact CB-CE1 4.21Å; P239-Y250 VanDerWaalsContact CD-O 3.26Å; P239-Y250 WeakPolarHBondContact CD-O 3.43Å; P239-Y250 HydrophobicContact CG-CD1 4.36Å; P239-Y250 HydrophobicContact CG-CE1 3.92Å; Y250-F302 WeakPolarHBondContact CA-O 3.47Å |
| 251 | G | 90.9 | Very high | 85.5 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 141.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T237 D301 F302 | T237-G251 WeakPolarHBondContact O-CA 3.46Å; G251-D301 WeakPolarHBondContact O-CA 3.44Å; G251-F302 PolarHBondContact N-O 3.33Å; G251-F302 PolarHBondContact O-N 2.86Å |
| 252 | L | 92.4 | Very high | 86 | Confident | 84 Ų | 84 | 40.9 Ų | 40.9 | 44% | 0.44 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 135.2 | 173.9 | -67.6 | 167.8 | 0 | 0 | 0 | 109.3 | V236 T237 D301 | V236-L252 WeakPolarHBondContact CA-O 3.48Å; T237-L252 PolarHBondContact N-O 2.73Å; T237-L252 PolarHBondContact O-N 3.37Å; L252-D301 HydrophobicContact CD2-CB 3.99Å |
| 253 | I | 92.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.7 | 179.1 | -58.9 | 169.6 | 0 | 0 | 0 | 106.5 | V234 N235 V269 L293 I299 G300 F302 V331 Y333 | V234-I253 HydrophobicContact CG1-CG2 4.17Å; N235-I253 CarbonylContact O-C 3.47Å; N235-I253 WeakPolarHBondContact O-CA 3.33Å; I253-V269 HydrophobicContact CD1-CG2 3.52Å; I253-L293 HydrophobicContact CD1-CD1 3.75Å; I253-I299 CarbonylContact O-C 3.57Å; I253-I299 WeakPolarHBondContact O-CA 3.42Å; I253-G300 WeakPolarHBondContact CA-O 2.98Å; I253-G300 WeakPolarHBondContact CB-O 3.47Å; I253-G300 PolarHBondContact N-O 3.01Å; I253-G300 PolarHBondContact O-N 2.7Å; I253-G300 VanDerWaalsContact O-O 3.11Å; I253-F302 HydrophobicContact CD1-CD1 3.69Å; I253-F302 HydrophobicContact CD1-CE1 4.04Å; I253-F302 HydrophobicContact CG1-CD1 4.1Å; I253-F302 HydrophobicContact CG1-CE1 4.13Å; I253-V331 HydrophobicContact CD1-CG1 3.86Å; I253-V331 HydrophobicContact CD1-CG2 3.81Å; I253-V331 HydrophobicContact CG1-CG1 4.29Å; I253-V331 HydrophobicContact CG1-CG2 4Å; I253-V331 HydrophobicContact CG2-CG1 3.81Å; I253-Y333 HydrophobicContact CG2-CD2 4.29Å |
| 254 | S | 90.3 | Very high | 86.7 | Confident | 25 Ų | 25 | 42.9 Ų | 42.9 | 18% | 0.175 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 115.9 | 175.1 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | N235 N256 G298 | N235-S254 WeakPolarHBondContact CB-O 3.03Å; N235-S254 PolarHBondContact N-O 3.32Å; N235-S254 PolarHBondContact O-N 3.22Å; S254-N256 PolarHBondContact OG-ND2 2.86Å; S254-G298 CarbonylContact C-O 3.14Å; S254-G298 VanDerWaalsContact CA-O 3.29Å; S254-G298 WeakPolarHBondContact CA-O 3.43Å |
| 255 | A | 91.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | W232 D233 V234 V263 G298 Y333 | W232-A255 HydrophobicContact CE3-CB 4.31Å; W232-A255 HydrophobicContact CZ3-CB 4.18Å; D233-A255 VanDerWaalsContact O-CA 3.27Å; D233-A255 WeakPolarHBondContact O-CA 3.45Å; V234-A255 HydrophobicContact CG2-CB 4.31Å; A255-V263 HydrophobicContact CB-CB 3.98Å; A255-V263 HydrophobicContact CB-CG2 4.28Å; A255-V263 PolarHBondContact O-N 3.23Å; A255-G298 PolarHBondContact N-O 3.07Å; A255-G298 WeakPolarHBondContact O-CA 3.38Å; A255-Y333 HydrophobicContact CB-CD1 3.84Å; A255-Y333 HydrophobicContact CB-CD2 3.62Å; A255-Y333 HydrophobicContact CB-CE1 3.81Å; A255-Y333 HydrophobicContact CB-CE2 3.58Å; A255-Y333 HydrophobicContact CB-CG 3.76Å |
| 256 | N | 88.3 | Confident | 87.9 | Confident | 44 Ų | 44 | 38.2 Ų | 38.2 | 24% | 0.235 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 138.4 | -177.3 | -60.7 | -36.6 | 0 | 0 | 0 | 110.6 | W232 D233 S254 K261 | W232-N256 VanDerWaalsContact CA-O 3.3Å; W232-N256 WeakPolarHBondContact CA-O 3Å; W232-N256 WeakPolarHBondContact CB-O 3.5Å; D233-N256 PolarHBondContact N-O 3.29Å; D233-N256 PolarHBondContact O-N 3.35Å; S254-N256 PolarHBondContact OG-ND2 2.86Å; N256-K261 CarbonylContact C-O 3.59Å; N256-K261 WeakPolarHBondContact CA-O 3.18Å |
| 257 | Y | 86.6 | Confident | 88.5 | Confident | 24 Ų | 24 | 34.7 Ų | 34.7 | 9% | 0.094 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 160.6 | 164.8 | -70 | -77.5 | 0 | 0 | 0 | 110.7 | W232 S259 G260 K261 V263 N335 E338 Y1535 | W232-Y257 HydrophobicContact CB-CD1 3.8Å; W232-Y257 HydrophobicContact CB-CE1 4.3Å; W232-Y257 HydrophobicContact CB-CG 4.26Å; W232-Y257 HydrophobicContact CG-CD1 4.37Å; W232-Y257 HydrophobicContact CG-CE1 4.41Å; Y257-S259 WeakPolarHBondContact CB-OG 3.41Å; Y257-S259 PolarHBondContact O-N 3.06Å; Y257-S259 VanDerWaalsContact O-N 3.13Å; Y257-G260 WeakPolarHBondContact O-CA 3.27Å; Y257-G260 PolarHBondContact O-N 2.91Å; Y257-K261 HydrophobicContact CD2-CB 4.33Å; Y257-K261 WeakPolarHBondContact CD2-O 3.45Å; Y257-K261 PolarHBondContact N-O 2.96Å; Y257-V263 HydrophobicContact CD1-CG2 4.36Å; Y257-V263 HydrophobicContact CD2-CG2 3.7Å; Y257-V263 HydrophobicContact CE1-CG2 4.33Å; Y257-V263 HydrophobicContact CE2-CB 4.15Å; Y257-V263 HydrophobicContact CE2-CG1 4.39Å; Y257-V263 HydrophobicContact CE2-CG2 3.67Å; Y257-V263 HydrophobicContact CG-CG2 4.05Å; Y257-N335 PolarHBondContact OH-ND2 2.99Å; Y257-E338 WeakPolarHBondContact CE1-OE1 3.1Å; Y257-Y1535 HydrophobicContact CD1-CE2 4.27Å |
| 258 | T | 78.1 | Confident | 88.9 | Confident | 30 Ų | 30 | 28.1 Ų | 28.1 | 18% | 0.184 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -16.9 | 175.1 | 57.7 | 0 | 0 | 0 | 0 | 114.1 | R229 P230 L231 G260 N742 Y1535 | R229-T258 HydrophobicContact CG-CG2 3.98Å; R229-T258 PolarHBondContact NE-OG1 3.02Å; R229-T258 PolarHBondContact NH2-OG1 2.71Å; P230-T258 WeakPolarHBondContact O-CG2 3.38Å; L231-T258 WeakPolarHBondContact O-CG2 3.38Å; L231-T258 PolarHBondContact O-N 3.32Å; T258-G260 PolarHBondContact O-N 3.31Å; T258-N742 HydrophobicContact CG2-CB 4.43Å; T258-Y1535 PolarHBondContact OG1-OH 3.12Å |
| 259 | S | 78.1 | Confident | 89.2 | Confident | 8 Ų | 8 | 27.8 Ų | 27.8 | 6% | 0.056 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -17.4 | 167 | 63.7 | 0 | 0 | 0 | 0 | 114.2 | Y257 K261 T807 F827 Y883 | Y257-S259 WeakPolarHBondContact CB-OG 3.41Å; Y257-S259 PolarHBondContact O-N 3.06Å; Y257-S259 VanDerWaalsContact O-N 3.13Å; S259-K261 PolarHBondContact OG-N 2.73Å; S259-T807 PolarHBondContact O-OG1 2.87Å; S259-F827 WeakPolarHBondContact O-CE2 3.17Å; S259-F827 WeakPolarHBondContact O-CZ 3.39Å; S259-Y883 PolarHBondContact OG-OH 3.29Å |
| 260 | G | 79.9 | Confident | 89.5 | Confident | 34 Ų | 34 | 29.6 Ų | 29.6 | 35% | 0.351 | 16% | 0.159 | S | C | . | . | S | Bend | trans | 94.6 | -6.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y257 T258 F827 | Y257-G260 WeakPolarHBondContact O-CA 3.27Å; Y257-G260 PolarHBondContact O-N 2.91Å; T258-G260 PolarHBondContact O-N 3.31Å; G260-F827 WeakPolarHBondContact O-CE1 3.31Å |
| 261 | K | 85.1 | Confident | 89.5 | Confident | 43 Ų | 43 | 23.8 Ų | 23.8 | 19% | 0.187 | 14% | 0.136 | C | C | . | . | P | Polyproline II helix | trans | -73.5 | 140.7 | 179.3 | 179.1 | 156.9 | 167.8 | -163.2 | 0 | 112.2 | N256 Y257 S259 Y883 | N256-K261 CarbonylContact C-O 3.59Å; N256-K261 WeakPolarHBondContact CA-O 3.18Å; Y257-K261 HydrophobicContact CD2-CB 4.33Å; Y257-K261 WeakPolarHBondContact CD2-O 3.45Å; Y257-K261 PolarHBondContact N-O 2.96Å; S259-K261 PolarHBondContact OG-N 2.73Å; K261-Y883 HydrophobicContact CB-CE2 4.35Å; K261-Y883 HydrophobicContact CD-CD1 4.42Å; K261-Y883 HydrophobicContact CD-CD2 3.51Å; K261-Y883 HydrophobicContact CD-CE1 4.43Å; K261-Y883 HydrophobicContact CD-CE2 3.44Å; K261-Y883 VanDerWaalsContact CD-CE2 3.44Å; K261-Y883 HydrophobicContact CD-CG 3.96Å; K261-Y883 HydrophobicContact CG-CE2 4.27Å |
| 262 | A | 88.4 | Confident | 89.6 | Confident | 22 Ų | 22 | 24.8 Ų | 24.8 | 18% | 0.182 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -57.4 | 132 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 263 | V | 90.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -83.8 | 136.4 | 172.4 | -177 | 0 | 0 | 0 | 0 | 109.1 | W232 A255 Y257 G298 Y333 N335 | W232-V263 HydrophobicContact CB-CG2 3.78Å; W232-V263 HydrophobicContact CD2-CG1 4.4Å; W232-V263 HydrophobicContact CD2-CG2 4.05Å; W232-V263 HydrophobicContact CE3-CB 4.42Å; W232-V263 HydrophobicContact CE3-CG1 4.25Å; W232-V263 HydrophobicContact CE3-CG2 3.88Å; W232-V263 HydrophobicContact CG-CG2 4.04Å; W232-V263 HydrophobicContact CZ3-CG1 4.35Å; A255-V263 HydrophobicContact CB-CB 3.98Å; A255-V263 HydrophobicContact CB-CG2 4.28Å; A255-V263 PolarHBondContact O-N 3.23Å; Y257-V263 HydrophobicContact CD1-CG2 4.36Å; Y257-V263 HydrophobicContact CD2-CG2 3.7Å; Y257-V263 HydrophobicContact CE1-CG2 4.33Å; Y257-V263 HydrophobicContact CE2-CB 4.15Å; Y257-V263 HydrophobicContact CE2-CG1 4.39Å; Y257-V263 HydrophobicContact CE2-CG2 3.67Å; Y257-V263 HydrophobicContact CG-CG2 4.05Å; V263-G298 WeakPolarHBondContact O-CA 3.1Å; V263-G298 PolarHBondContact O-N 3.44Å; V263-Y333 HydrophobicContact CB-CE1 4.2Å; V263-Y333 HydrophobicContact CG1-CD1 4.36Å; V263-Y333 HydrophobicContact CG1-CE1 3.89Å; V263-Y333 PolarHBondContact O-OH 2.86Å; V263-N335 HydrophobicContact CG1-CB 3.84Å |
| 264 | K | 90 | Very high | 89.2 | Confident | 67 Ų | 67 | 21.8 Ų | 21.8 | 29% | 0.291 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 135 | 172.2 | -45.3 | -165.2 | -165.6 | -128.8 | 0 | 111.5 | L296 D297 W336 W337 | K264-L296 VanDerWaalsContact CA-O 3.31Å; K264-L296 WeakPolarHBondContact CA-O 3.38Å; K264-D297 VanDerWaalsContact CD-OD1 3.28Å; K264-D297 WeakPolarHBondContact CD-OD1 3.28Å; K264-D297 WeakPolarHBondContact CE-OD1 3.3Å; K264-D297 WeakPolarHBondContact CG-OD1 3.46Å; K264-D297 IonicContact NZ-OD1 2.8Å; K264-D297 PolarHBondContact NZ-OD1 3.07Å; K264-D297 IonicContact NZ-OD2 2.76Å; K264-D297 PolarHBondContact NZ-OD2 2.82Å; K264-W336 HydrophobicContact CB-CE3 4.13Å; K264-W336 HydrophobicContact CB-CZ3 4.38Å; K264-W336 PolarHBondContact O-N 3.45Å; K264-W337 HydrophobicContact CB-CE3 4.41Å; K264-W337 HydrophobicContact CB-CH2 4.14Å; K264-W337 HydrophobicContact CB-CZ3 3.5Å; K264-W337 HydrophobicContact CD-CH2 3.69Å; K264-W337 HydrophobicContact CD-CZ3 3.88Å; K264-W337 HydrophobicContact CG-CH2 3.95Å; K264-W337 HydrophobicContact CG-CZ3 3.57Å |
| 265 | G | 92 | Very high | 88.7 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.8 | -170.7 | -171 | 0 | 0 | 0 | 0 | 0 | 115.3 | L296 Y333 F334 | G265-L296 PolarHBondContact N-O 3.47Å; G265-L296 VanDerWaalsContact N-O 3.08Å; G265-L296 PolarHBondContact O-N 2.75Å; G265-Y333 PolarHBondContact N-OH 2.89Å; G265-F334 CarbonylContact C-O 3.48Å; G265-F334 WeakPolarHBondContact CA-O 3.29Å |
| 266 | N | 93.9 | Very high | 88.1 | Confident | 44 Ų | 44 | 28.6 Ų | 28.6 | 24% | 0.235 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 148.3 | 169.8 | -62 | -17.8 | 0 | 0 | 0 | 108.5 | L293 L294 A295 Y333 F334 W336 | N266-L293 CarbonylContact C-O 3.58Å; N266-L293 WeakPolarHBondContact CA-O 3.48Å; N266-L294 HydrophobicContact CB-CD2 4.36Å; N266-A295 PolarHBondContact OD1-N 3.32Å; N266-Y333 CarbonylContact O-C 3.47Å; N266-Y333 WeakPolarHBondContact O-CA 3.31Å; N266-F334 PolarHBondContact N-O 3.35Å; N266-F334 PolarHBondContact O-N 2.99Å; N266-W336 WeakPolarHBondContact OD1-CZ2 3.44Å; N266-W336 PolarHBondContact OD1-NE1 3.46Å; N266-W336 VanDerWaalsContact OD1-NE1 3.16Å |
| 267 | A | 94.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 141.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L293 L296 V331 T332 Y333 | A267-L293 HydrophobicContact CB-CB 4.26Å; A267-L293 HydrophobicContact CB-CD1 4.44Å; A267-L293 PolarHBondContact N-O 3.33Å; A267-L293 PolarHBondContact O-N 2.99Å; A267-L296 HydrophobicContact CB-CD1 3.68Å; A267-V331 HydrophobicContact CB-CG1 4.05Å; A267-T332 CarbonylContact C-O 3.48Å; A267-T332 WeakPolarHBondContact CA-O 3.06Å; A267-Y333 HydrophobicContact CB-CD2 3.79Å; A267-Y333 HydrophobicContact CB-CE2 4.26Å |
| 268 | T | 95.1 | Very high | 86.7 | Confident | 33 Ų | 33 | 31.5 Ų | 31.5 | 20% | 0.202 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 120.6 | 167.1 | 91.2 | 0 | 0 | 0 | 0 | 108.9 | R291 Y292 V331 T332 | T268-R291 CarbonylContact C-O 3.6Å; T268-R291 WeakPolarHBondContact CA-O 3.2Å; T268-Y292 HydrophobicContact CG2-CD1 3.63Å; T268-Y292 HydrophobicContact CG2-CE1 3.88Å; T268-V331 WeakPolarHBondContact O-CA 3.32Å; T268-T332 PolarHBondContact N-O 3.4Å; T268-T332 PolarHBondContact O-N 3.4Å; T268-T332 PolarHBondContact O-OG1 3.29Å; T268-T332 PolarHBondContact OG1-OG1 3.17Å |
| 269 | V | 94.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120 | -175.9 | -173.1 | 0 | 0 | 0 | 0 | 107.7 | I253 I271 R290 R291 L293 F302 V329 V331 | I253-V269 HydrophobicContact CD1-CG2 3.52Å; V269-I271 HydrophobicContact CG1-CD1 4.19Å; V269-I271 HydrophobicContact CG1-CG1 3.87Å; V269-R290 CarbonylContact O-C 3.54Å; V269-R290 WeakPolarHBondContact O-CA 3.43Å; V269-R291 HydrophobicContact CB-CB 4.2Å; V269-R291 PolarHBondContact N-O 2.87Å; V269-R291 PolarHBondContact O-N 2.82Å; V269-L293 HydrophobicContact CG2-CD1 4.11Å; V269-F302 HydrophobicContact CG1-CD1 4.24Å; V269-F302 HydrophobicContact CG1-CE1 4.09Å; V269-F302 HydrophobicContact CG1-CE2 4.44Å; V269-F302 HydrophobicContact CG1-CG 4.46Å; V269-F302 HydrophobicContact CG1-CZ 4.2Å; V269-F302 HydrophobicContact CG2-CD1 4.34Å; V269-V329 HydrophobicContact CG1-CG1 3.53Å; V269-V331 HydrophobicContact CG1-CG2 4.12Å; V269-V331 HydrophobicContact CG2-CG1 4.47Å; V269-V331 HydrophobicContact CG2-CG2 4.19Å |
| 270 | L | 94.7 | Very high | 86.4 | Confident | 38 Ų | 38 | 37.8 Ų | 37.8 | 20% | 0.199 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 116.6 | 176.3 | 177.5 | 69.5 | 0 | 0 | 0 | 108.5 | Q272 E288 R290 V329 N330 | L270-Q272 HydrophobicContact CG-CG 4.37Å; L270-E288 VanDerWaalsContact CD1-CD 3.44Å; L270-E288 HydrophobicContact CD1-CG 3.59Å; L270-E288 VanDerWaalsContact CD1-OE1 3.24Å; L270-E288 WeakPolarHBondContact CD1-OE1 3.41Å; L270-R290 HydrophobicContact CD1-CG 4.48Å; L270-V329 CarbonylContact O-C 3.26Å; L270-V329 WeakPolarHBondContact O-CA 3.5Å; L270-N330 HydrophobicContact CB-CB 4.24Å; L270-N330 WeakPolarHBondContact CB-O 3.39Å; L270-N330 PolarHBondContact N-O 3.38Å; L270-N330 PolarHBondContact O-N 2.66Å |
| 271 | I | 93 | Very high | 86.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 116.4 | -176.8 | -53.3 | 173.7 | 0 | 0 | 0 | 108.1 | V269 L273 E288 F289 F302 L304 I327 W328 V329 | V269-I271 HydrophobicContact CG1-CD1 4.19Å; V269-I271 HydrophobicContact CG1-CG1 3.87Å; I271-L273 HydrophobicContact CG2-CD1 4.45Å; I271-E288 CarbonylContact O-C 3.6Å; I271-E288 VanDerWaalsContact O-CA 3.29Å; I271-E288 WeakPolarHBondContact O-CA 3.31Å; I271-F289 HydrophobicContact CB-CB 4.2Å; I271-F289 PolarHBondContact N-O 3.34Å; I271-F289 PolarHBondContact O-N 3.33Å; I271-F302 HydrophobicContact CD1-CD2 4.13Å; I271-F302 HydrophobicContact CD1-CE2 3.85Å; I271-L304 HydrophobicContact CD1-CB 4.31Å; I271-L304 HydrophobicContact CD1-CD2 3.77Å; I271-L304 HydrophobicContact CG2-CD2 3.98Å; I271-I327 HydrophobicContact CG2-CG2 3.41Å; I271-I327 VanDerWaalsContact CG2-CG2 3.41Å; I271-W328 CarbonylContact C-O 3.42Å; I271-W328 VanDerWaalsContact CA-O 3.3Å; I271-W328 WeakPolarHBondContact CA-O 3.48Å; I271-V329 HydrophobicContact CG1-CG1 4.3Å; I271-V329 HydrophobicContact CG1-CG2 4.24Å; I271-V329 HydrophobicContact CG2-CG2 4.31Å |
| 272 | Q | 91.5 | Very high | 86.3 | Confident | 23 Ų | 23 | 46.1 Ų | 46.1 | 11% | 0.107 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.6 | 180 | -69.2 | -172.7 | -19.2 | 0 | 0 | 111 | L270 R274 P285 E288 W328 | L270-Q272 HydrophobicContact CG-CG 4.37Å; Q272-R274 VanDerWaalsContact OE1-NH2 3.1Å; Q272-P285 HydrophobicContact CB-CB 4.27Å; Q272-E288 HydrophobicContact CG-CG 4.13Å; Q272-E288 PolarHBondContact NE2-OE2 2.64Å; Q272-W328 HydrophobicContact CB-CB 4.4Å; Q272-W328 PolarHBondContact N-O 2.94Å; Q272-W328 PolarHBondContact O-N 2.75Å |
| 273 | L | 89.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 120.4 | 174.4 | -73.9 | 82.7 | 0 | 0 | 0 | 109.5 | I271 P285 R286 A287 F289 I309 I313 L322 I327 | I271-L273 HydrophobicContact CG2-CD1 4.45Å; L273-P285 CarbonylContact O-C 3.49Å; L273-P285 WeakPolarHBondContact O-CA 3.25Å; L273-R286 HydrophobicContact CB-CB 4.46Å; L273-R286 PolarHBondContact O-N 2.79Å; L273-A287 HydrophobicContact CB-CB 4.46Å; L273-A287 HydrophobicContact CD1-CB 4.24Å; L273-A287 PolarHBondContact N-O 2.86Å; L273-F289 HydrophobicContact CD1-CD2 3.89Å; L273-F289 HydrophobicContact CD1-CE2 3.63Å; L273-I309 HydrophobicContact CD2-CG2 3.47Å; L273-I309 VanDerWaalsContact CD2-CG2 3.47Å; L273-I313 HydrophobicContact CD2-CD1 3.95Å; L273-L322 HydrophobicContact CD2-CD2 4.16Å; L273-I327 HydrophobicContact CG-CG1 4.26Å |
| 274 | R | 87.3 | Confident | 85.7 | Confident | 22 Ų | 22 | 54.3 Ų | 54.3 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 151.4 | -178.6 | -67.4 | -178.4 | 174.3 | -88 | -3.4 | 110.4 | Q272 R280 N283 P285 T325 E326 | Q272-R274 VanDerWaalsContact OE1-NH2 3.1Å; R274-R280 PolarHBondContact NH1-O 2.98Å; R274-N283 PolarHBondContact NH1-O 3Å; R274-P285 HydrophobicContact CG-CB 4.28Å; R274-T325 CarbonylContact O-C 3.56Å; R274-T325 WeakPolarHBondContact O-CA 3.27Å; R274-E326 PolarHBondContact N-O 3.26Å; R274-E326 PolarHBondContact O-N 3.09Å |
| 275 | K | 81.2 | Confident | 85.4 | Confident | 129 Ų | 129 | 53.1 Ų | 53.1 | 56% | 0.561 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 133.3 | 171.7 | -171.3 | 178.2 | 179.3 | 179.6 | 0 | 108.4 | ||
| 276 | S | 77.6 | Confident | 85 | Confident | 38 Ų | 38 | 56.5 Ų | 56.5 | 27% | 0.266 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -64.7 | 136.3 | 176.1 | -165.1 | 0 | 0 | 0 | 0 | 110.7 | N324 E326 | S276-N324 WeakPolarHBondContact CB-O 3.28Å; S276-N324 PolarHBondContact N-O 2.76Å; S276-N324 VanDerWaalsContact N-O 3.13Å; S276-E326 WeakPolarHBondContact CA-OE1 3.34Å; S276-E326 VanDerWaalsContact CB-OE1 3.3Å; S276-E326 WeakPolarHBondContact CB-OE1 3.26Å; S276-E326 PolarHBondContact OG-OE1 2.81Å |
| 277 | G | 72.9 | Confident | 84.7 | Confident | 34 Ų | 34 | 55 Ų | 55 | 35% | 0.351 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 153.5 | 179.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R280 | G277-R280 PolarHBondContact O-NE 2.91Å; G277-R280 VanDerWaalsContact O-NE 3.09Å |
| 278 | A | 72.7 | Confident | 84.5 | Confident | 96 Ų | 96 | 59.9 Ų | 59.9 | 79% | 0.793 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -66.1 | -37.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R280 | A278-R280 PolarHBondContact O-N 3.09Å; A278-R280 VanDerWaalsContact O-N 3.09Å |
| 279 | D | 74 | Confident | 84.3 | Confident | 103 Ų | 103 | 59.3 Ų | 59.3 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -81.8 | 23 | -177.4 | -59.2 | -38.1 | 0 | 0 | 0 | 114.4 | W281 T282 N283 | D279-W281 VanDerWaalsContact C-N 3.31Å; D279-W281 PolarHBondContact O-N 2.82Å; D279-T282 VanDerWaalsContact CA-OG1 3.26Å; D279-T282 WeakPolarHBondContact CA-OG1 3.45Å; D279-T282 WeakPolarHBondContact CB-OG1 3.46Å; D279-T282 PolarHBondContact O-OG1 3.31Å; D279-N283 WeakPolarHBondContact CB-ND2 3.48Å; D279-N283 PolarHBondContact O-N 3.12Å; D279-N283 PolarHBondContact O-ND2 2.92Å |
| 280 | R | 76.6 | Confident | 84.2 | Confident | 67 Ų | 67 | 66 Ų | 66 | 25% | 0.253 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -66.7 | -31.8 | -171.8 | 76.9 | -175.9 | 85.7 | -172.8 | 14.3 | 113.5 | R274 G277 A278 E326 | R274-R280 PolarHBondContact NH1-O 2.98Å; G277-R280 PolarHBondContact O-NE 2.91Å; G277-R280 VanDerWaalsContact O-NE 3.09Å; A278-R280 PolarHBondContact O-N 3.09Å; A278-R280 VanDerWaalsContact O-N 3.09Å; R280-E326 IonicContact CZ-OE2 3.34Å; R280-E326 IonicContact NH1-OE1 3.99Å; R280-E326 IonicContact NH1-OE2 2.96Å; R280-E326 PolarHBondContact NH1-OE2 3.19Å |
| 281 | W | 79.7 | Confident | 84.1 | Confident | 143 Ų | 143 | 68.1 Ų | 68.1 | 54% | 0.542 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -20.5 | -177.3 | -63.6 | 115.5 | 0 | 0 | 0 | 112.8 | D279 W328 | D279-W281 VanDerWaalsContact C-N 3.31Å; D279-W281 PolarHBondContact O-N 2.82Å; W281-W328 HydrophobicContact CH2-CD2 4.07Å; W281-W328 AromaticContact CH2-CE3 3.93Å; W281-W328 HydrophobicContact CH2-CE3 3.93Å; W281-W328 HydrophobicContact CH2-CH2 4.45Å; W281-W328 HydrophobicContact CH2-CZ3 4.13Å; W281-W328 HydrophobicContact CZ2-CD2 4.2Å; W281-W328 HydrophobicContact CZ2-CE3 4.02Å; W281-W328 AromaticContact CZ2-CH2 3.72Å; W281-W328 HydrophobicContact CZ2-CH2 3.72Å; W281-W328 AromaticContact CZ2-CZ2 3.89Å; W281-W328 HydrophobicContact CZ2-CZ2 3.89Å; W281-W328 AromaticContact CZ2-CZ3 3.78Å; W281-W328 HydrophobicContact CZ2-CZ3 3.78Å |
| 282 | T | 82.7 | Confident | 84.1 | Confident | 108 Ų | 108 | 74.9 Ų | 74.9 | 66% | 0.663 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -34.2 | 174.1 | 52.1 | 0 | 0 | 0 | 0 | 111.2 | D279 | D279-T282 VanDerWaalsContact CA-OG1 3.26Å; D279-T282 WeakPolarHBondContact CA-OG1 3.45Å; D279-T282 WeakPolarHBondContact CB-OG1 3.46Å; D279-T282 PolarHBondContact O-OG1 3.31Å |
| 283 | N | 80.9 | Confident | 84.1 | Confident | 88 Ų | 88 | 75.5 Ų | 75.5 | 47% | 0.471 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -83.7 | 144.5 | 174.7 | -68.6 | -46.9 | 0 | 0 | 0 | 112.4 | R274 D279 | R274-N283 PolarHBondContact NH1-O 3Å; D279-N283 WeakPolarHBondContact CB-ND2 3.48Å; D279-N283 PolarHBondContact O-N 3.12Å; D279-N283 PolarHBondContact O-ND2 2.92Å |
| 284 | P | 84.5 | Confident | 84.2 | Confident | 107 Ų | 107 | 81.8 Ų | 81.8 | 70% | 0.695 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 153.2 | 171.9 | 28.2 | -34.2 | 0 | 0 | 0 | 111.2 | ||
| 285 | P | 85 | Confident | 84.2 | Confident | 41 Ų | 41 | 84 Ų | 84 | 27% | 0.266 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 144.2 | 175.1 | 28.5 | -33.6 | 0 | 0 | 0 | 110.7 | Q272 L273 R274 A287 | Q272-P285 HydrophobicContact CB-CB 4.27Å; L273-P285 CarbonylContact O-C 3.49Å; L273-P285 WeakPolarHBondContact O-CA 3.25Å; R274-P285 HydrophobicContact CG-CB 4.28Å; P285-A287 VanDerWaalsContact C-N 3.31Å; P285-A287 PolarHBondContact O-N 3.43Å |
| 286 | R | 83.2 | Confident | 84.5 | Confident | 71 Ų | 71 | 78.9 Ų | 78.9 | 27% | 0.268 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -65.1 | -34.9 | 175.9 | -72.9 | -176.2 | 169.2 | -169.8 | -8 | 112.3 | L273 S321 | L273-R286 HydrophobicContact CB-CB 4.46Å; L273-R286 PolarHBondContact O-N 2.79Å; R286-S321 PolarHBondContact NH1-O 3.19Å |
| 287 | A | 86.9 | Confident | 84.9 | Confident | 12 Ų | 12 | 81.2 Ų | 81.2 | 10% | 0.099 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 154.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | L273 P285 F289 A312 I313 | L273-A287 HydrophobicContact CB-CB 4.46Å; L273-A287 HydrophobicContact CD1-CB 4.24Å; L273-A287 PolarHBondContact N-O 2.86Å; P285-A287 VanDerWaalsContact C-N 3.31Å; P285-A287 PolarHBondContact O-N 3.43Å; A287-F289 HydrophobicContact CB-CE2 4.24Å; A287-A312 HydrophobicContact CB-CB 3.82Å; A287-I313 HydrophobicContact CB-CG1 4.47Å |
| 288 | E | 90 | Very high | 85.4 | Confident | 104 Ų | 104 | 79.6 Ų | 79.6 | 49% | 0.486 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 135.3 | 177.5 | -176.8 | 173.2 | 125.5 | 0 | 0 | 110.1 | L270 I271 Q272 | L270-E288 VanDerWaalsContact CD1-CD 3.44Å; L270-E288 HydrophobicContact CD1-CG 3.59Å; L270-E288 VanDerWaalsContact CD1-OE1 3.24Å; L270-E288 WeakPolarHBondContact CD1-OE1 3.41Å; I271-E288 CarbonylContact O-C 3.6Å; I271-E288 VanDerWaalsContact O-CA 3.29Å; I271-E288 WeakPolarHBondContact O-CA 3.31Å; Q272-E288 HydrophobicContact CG-CG 4.13Å; Q272-E288 PolarHBondContact NE2-OE2 2.64Å |
| 289 | F | 91.6 | Very high | 86.1 | Confident | 22 Ų | 22 | 80.6 Ų | 80.6 | 10% | 0.096 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 142.4 | 175 | -55.8 | -87.1 | 0 | 0 | 0 | 110.4 | I271 L273 A287 L304 E308 I309 A312 | I271-F289 HydrophobicContact CB-CB 4.2Å; I271-F289 PolarHBondContact N-O 3.34Å; I271-F289 PolarHBondContact O-N 3.33Å; L273-F289 HydrophobicContact CD1-CD2 3.89Å; L273-F289 HydrophobicContact CD1-CE2 3.63Å; A287-F289 HydrophobicContact CB-CE2 4.24Å; F289-L304 HydrophobicContact CD1-CD1 4.4Å; F289-L304 HydrophobicContact CD2-CD2 3.93Å; F289-L304 HydrophobicContact CE2-CD2 4.3Å; F289-L304 HydrophobicContact CG-CD1 4.32Å; F289-L304 HydrophobicContact CG-CD2 4.33Å; F289-E308 HydrophobicContact CD1-CG 4.35Å; F289-E308 HydrophobicContact CE1-CG 3.75Å; F289-E308 HydrophobicContact CZ-CG 4.44Å; F289-I309 HydrophobicContact CE2-CG1 4.1Å; F289-I309 HydrophobicContact CZ-CG1 4.4Å; F289-A312 HydrophobicContact CE1-CB 3.89Å; F289-A312 HydrophobicContact CE2-CB 4.29Å; F289-A312 HydrophobicContact CZ-CB 3.38Å |
| 290 | R | 93 | Very high | 86.9 | Confident | 141 Ų | 141 | 75.8 Ų | 75.8 | 53% | 0.532 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.2 | 176.4 | -144.2 | 174.6 | -167.6 | -160.6 | 8.9 | 110.4 | V269 L270 Y292 | V269-R290 CarbonylContact O-C 3.54Å; V269-R290 WeakPolarHBondContact O-CA 3.43Å; L270-R290 HydrophobicContact CD1-CG 4.48Å; R290-Y292 WeakPolarHBondContact CD-OH 3.22Å; R290-Y292 PolarHBondContact NH1-OH 2.73Å |
| 291 | R | 92 | Very high | 87.6 | Confident | 82 Ų | 82 | 78.2 Ų | 78.2 | 31% | 0.309 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 142.2 | 174.8 | -62.8 | -62.5 | -164.1 | -123 | 1.4 | 110.4 | T268 V269 E308 | T268-R291 CarbonylContact C-O 3.6Å; T268-R291 WeakPolarHBondContact CA-O 3.2Å; V269-R291 HydrophobicContact CB-CB 4.2Å; V269-R291 PolarHBondContact N-O 2.87Å; V269-R291 PolarHBondContact O-N 2.82Å; R291-E308 IonicContact CZ-OE1 3.05Å; R291-E308 IonicContact CZ-OE2 3.19Å; R291-E308 IonicContact NH1-OE1 2.86Å; R291-E308 PolarHBondContact NH1-OE1 3.5Å; R291-E308 VanDerWaalsContact NH1-OE1 3.08Å; R291-E308 IonicContact NH2-OE1 3.17Å; R291-E308 PolarHBondContact NH2-OE1 3.42Å; R291-E308 IonicContact NH2-OE2 2.72Å; R291-E308 PolarHBondContact NH2-OE2 2.8Å |
| 292 | Y | 93.4 | Very high | 88.2 | Confident | 142 Ų | 142 | 72 Ų | 72 | 56% | 0.557 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 118.1 | 178.5 | -61.7 | -85.5 | 0 | 0 | 0 | 108.9 | T268 R290 | T268-Y292 HydrophobicContact CG2-CD1 3.63Å; T268-Y292 HydrophobicContact CG2-CE1 3.88Å; R290-Y292 WeakPolarHBondContact CD-OH 3.22Å; R290-Y292 PolarHBondContact NH1-OH 2.73Å |
| 293 | L | 91.8 | Very high | 88.6 | Confident | 36 Ų | 36 | 72.5 Ų | 72.5 | 19% | 0.188 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121 | 175.5 | -58.1 | 175.5 | 0 | 0 | 0 | 108.1 | I253 N266 A267 V269 L296 | I253-L293 HydrophobicContact CD1-CD1 3.75Å; N266-L293 CarbonylContact C-O 3.58Å; N266-L293 WeakPolarHBondContact CA-O 3.48Å; A267-L293 HydrophobicContact CB-CB 4.26Å; A267-L293 HydrophobicContact CB-CD1 4.44Å; A267-L293 PolarHBondContact N-O 3.33Å; A267-L293 PolarHBondContact O-N 2.99Å; V269-L293 HydrophobicContact CG2-CD1 4.11Å; L293-L296 HydrophobicContact CB-CD1 3.86Å; L293-L296 HydrophobicContact CB-CD2 4.29Å; L293-L296 HydrophobicContact CB-CG 4.19Å; L293-L296 HydrophobicContact CD1-CD1 4.16Å |
| 294 | L | 90.8 | Very high | 89.1 | Confident | 131 Ų | 131 | 68.4 Ų | 68.4 | 69% | 0.686 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 141.4 | -176.8 | -58.5 | 176.2 | 0 | 0 | 0 | 109.9 | N266 | N266-L294 HydrophobicContact CB-CD2 4.36Å |
| 295 | A | 87.2 | Confident | 89.4 | Confident | 68 Ų | 68 | 65.4 Ų | 65.4 | 56% | 0.562 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 60 | 51.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116 | N266 W336 | N266-A295 PolarHBondContact OD1-N 3.32Å; A295-W336 VanDerWaalsContact CA-CZ2 3.46Å; A295-W336 HydrophobicContact CB-CH2 3.62Å; A295-W336 HydrophobicContact CB-CZ2 3.85Å |
| 296 | L | 88.2 | Confident | 89.5 | Confident | 23 Ų | 23 | 63.7 Ų | 63.7 | 12% | 0.12 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 140.6 | 173.2 | -61.7 | 177.5 | 0 | 0 | 0 | 111.3 | K264 G265 A267 L293 Y333 | K264-L296 VanDerWaalsContact CA-O 3.31Å; K264-L296 WeakPolarHBondContact CA-O 3.38Å; G265-L296 PolarHBondContact N-O 3.47Å; G265-L296 VanDerWaalsContact N-O 3.08Å; G265-L296 PolarHBondContact O-N 2.75Å; A267-L296 HydrophobicContact CB-CD1 3.68Å; L293-L296 HydrophobicContact CB-CD1 3.86Å; L293-L296 HydrophobicContact CB-CD2 4.29Å; L293-L296 HydrophobicContact CB-CG 4.19Å; L293-L296 HydrophobicContact CD1-CD1 4.16Å; L296-Y333 HydrophobicContact CB-CE2 4.18Å; L296-Y333 VanDerWaalsContact CB-OH 3.31Å; L296-Y333 WeakPolarHBondContact CB-OH 2.97Å; L296-Y333 HydrophobicContact CD1-CE2 3.74Å; L296-Y333 PolarHBondContact O-OH 3.17Å |
| 297 | D | 86 | Confident | 89.5 | Confident | 87 Ų | 87 | 63.6 Ų | 63.6 | 47% | 0.465 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 64.5 | 171.7 | -157.2 | 1.2 | 0 | 0 | 0 | 109.3 | K264 I299 | K264-D297 VanDerWaalsContact CD-OD1 3.28Å; K264-D297 WeakPolarHBondContact CD-OD1 3.28Å; K264-D297 WeakPolarHBondContact CE-OD1 3.3Å; K264-D297 WeakPolarHBondContact CG-OD1 3.46Å; K264-D297 IonicContact NZ-OD1 2.8Å; K264-D297 PolarHBondContact NZ-OD1 3.07Å; K264-D297 IonicContact NZ-OD2 2.76Å; K264-D297 PolarHBondContact NZ-OD2 2.82Å; D297-I299 PolarHBondContact O-N 3.09Å |
| 298 | G | 82.3 | Confident | 89.6 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | S | Bend | trans | 79.4 | -46.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | S254 A255 V263 | S254-G298 CarbonylContact C-O 3.14Å; S254-G298 VanDerWaalsContact CA-O 3.29Å; S254-G298 WeakPolarHBondContact CA-O 3.43Å; A255-G298 PolarHBondContact N-O 3.07Å; A255-G298 WeakPolarHBondContact O-CA 3.38Å; V263-G298 WeakPolarHBondContact O-CA 3.1Å; V263-G298 PolarHBondContact O-N 3.44Å |
| 299 | I | 88 | Confident | 89.3 | Confident | 116 Ų | 116 | 60.4 Ų | 60.4 | 60% | 0.595 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 134.4 | -177 | -54.7 | 171.7 | 0 | 0 | 0 | 109.7 | I253 D297 | I253-I299 CarbonylContact O-C 3.57Å; I253-I299 WeakPolarHBondContact O-CA 3.42Å; D297-I299 PolarHBondContact O-N 3.09Å |
| 300 | G | 90.4 | Very high | 88.9 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 157.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | I253 | I253-G300 WeakPolarHBondContact CA-O 2.98Å; I253-G300 WeakPolarHBondContact CB-O 3.47Å; I253-G300 PolarHBondContact N-O 3.01Å; I253-G300 PolarHBondContact O-N 2.7Å; I253-G300 VanDerWaalsContact O-O 3.11Å |
| 301 | D | 92.1 | Very high | 88.4 | Confident | 117 Ų | 117 | 64.9 Ų | 64.9 | 63% | 0.626 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 155.1 | 179 | 61.8 | -41 | 0 | 0 | 0 | 110.1 | G251 L252 | G251-D301 WeakPolarHBondContact O-CA 3.44Å; L252-D301 HydrophobicContact CD2-CB 3.99Å |
| 302 | F | 91.8 | Very high | 87.8 | Confident | 14 Ų | 14 | 62.3 Ų | 62.3 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 148.1 | 170.6 | 68.7 | -87.5 | 0 | 0 | 0 | 110.3 | L238 Y250 G251 I253 V269 I271 V329 | L238-F302 HydrophobicContact CD2-CZ 3.83Å; Y250-F302 WeakPolarHBondContact CA-O 3.47Å; G251-F302 PolarHBondContact N-O 3.33Å; G251-F302 PolarHBondContact O-N 2.86Å; I253-F302 HydrophobicContact CD1-CD1 3.69Å; I253-F302 HydrophobicContact CD1-CE1 4.04Å; I253-F302 HydrophobicContact CG1-CD1 4.1Å; I253-F302 HydrophobicContact CG1-CE1 4.13Å; V269-F302 HydrophobicContact CG1-CD1 4.24Å; V269-F302 HydrophobicContact CG1-CE1 4.09Å; V269-F302 HydrophobicContact CG1-CE2 4.44Å; V269-F302 HydrophobicContact CG1-CG 4.46Å; V269-F302 HydrophobicContact CG1-CZ 4.2Å; V269-F302 HydrophobicContact CG2-CD1 4.34Å; I271-F302 HydrophobicContact CD1-CD2 4.13Å; I271-F302 HydrophobicContact CD1-CE2 3.85Å; F302-V329 HydrophobicContact CE1-CG1 4.1Å; F302-V329 HydrophobicContact CE2-CG1 4.47Å; F302-V329 HydrophobicContact CZ-CB 4.48Å; F302-V329 HydrophobicContact CZ-CG1 3.64Å; F302-V329 HydrophobicContact CZ-CG2 4.17Å |
| 303 | L | 92.3 | Very high | 87.1 | Confident | 118 Ų | 118 | 55.7 Ų | 55.7 | 62% | 0.618 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 122 | 174.8 | -177.6 | 70.9 | 0 | 0 | 0 | 108.3 | L249 | L249-L303 WeakPolarHBondContact O-CA 3.44Å |
| 304 | L | 90.3 | Very high | 85.8 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 106 | 172.8 | -177.6 | 66.5 | 0 | 0 | 0 | 108.8 | G248 L249 I271 F289 E308 I309 | G248-L304 CarbonylContact C-O 3.53Å; G248-L304 WeakPolarHBondContact CA-O 3.44Å; L249-L304 HydrophobicContact CB-CB 4.39Å; L249-L304 PolarHBondContact N-O 2.92Å; L249-L304 PolarHBondContact O-N 3.41Å; I271-L304 HydrophobicContact CD1-CB 4.31Å; I271-L304 HydrophobicContact CD1-CD2 3.77Å; I271-L304 HydrophobicContact CG2-CD2 3.98Å; F289-L304 HydrophobicContact CD1-CD1 4.4Å; F289-L304 HydrophobicContact CD2-CD2 3.93Å; F289-L304 HydrophobicContact CE2-CD2 4.3Å; F289-L304 HydrophobicContact CG-CD1 4.32Å; F289-L304 HydrophobicContact CG-CD2 4.33Å; L304-E308 HydrophobicContact CD1-CG 4.43Å; L304-I309 HydrophobicContact CD2-CD1 3.73Å; L304-I309 HydrophobicContact CD2-CG1 3.67Å; L304-I309 HydrophobicContact CG-CD1 4.05Å; L304-I309 HydrophobicContact CG-CG1 3.98Å |
| 305 | P | 91.3 | Very high | 84.5 | Confident | 44 Ų | 44 | 56.7 Ų | 56.7 | 29% | 0.286 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 141.9 | -179 | 26.4 | -33.5 | 0 | 0 | 0 | 111.4 | S307 E308 | P305-S307 PolarHBondContact O-N 3.21Å; P305-E308 HydrophobicContact CG-CB 4.08Å; P305-E308 PolarHBondContact O-N 2.88Å |
| 306 | M | 86 | Confident | 83.2 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.025 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.2 | -21.8 | -175.9 | -158.3 | 67.3 | 92.9 | 0 | 0 | 112.5 | I242 T243 Q246 L247 I309 R310 L322 | I242-M306 HydrophobicContact CD1-CE 3.76Å; I242-M306 HydrophobicContact CG1-CE 3.8Å; T243-M306 WeakPolarHBondContact O-CE 3.44Å; Q246-M306 WeakPolarHBondContact O-CB 3.23Å; L247-M306 PolarHBondContact O-N 2.97Å; M306-I309 PolarHBondContact O-N 2.89Å; M306-I309 HydrophobicContact SD-CB 4.35Å; M306-I309 HydrophobicContact SD-CD1 3.67Å; M306-I309 HydrophobicContact SD-CG2 4.38Å; M306-R310 WeakPolarHBondContact O-CG 3.38Å; M306-R310 PolarHBondContact O-N 3.17Å; M306-L322 HydrophobicContact CG-CD1 4.22Å; M306-L322 HydrophobicContact SD-CD1 4.05Å |
| 307 | S | 85 | Confident | 81.6 | Confident | 69 Ų | 69 | 61.5 Ų | 61.5 | 48% | 0.483 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 173.7 | 52.1 | 0 | 0 | 0 | 0 | 112.8 | P305 R310 Q311 | P305-S307 PolarHBondContact O-N 3.21Å; S307-R310 PolarHBondContact O-N 2.93Å; S307-Q311 WeakPolarHBondContact O-CG 3.44Å; S307-Q311 PolarHBondContact O-N 3.15Å |
| 308 | E | 87.3 | Confident | 80.3 | Confident | 49 Ų | 49 | 64.3 Ų | 64.3 | 23% | 0.229 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 178.2 | -172 | 178.4 | 171.3 | 0 | 0 | 110.8 | F289 R291 L304 P305 Q311 A312 | F289-E308 HydrophobicContact CD1-CG 4.35Å; F289-E308 HydrophobicContact CE1-CG 3.75Å; F289-E308 HydrophobicContact CZ-CG 4.44Å; R291-E308 IonicContact CZ-OE1 3.05Å; R291-E308 IonicContact CZ-OE2 3.19Å; R291-E308 IonicContact NH1-OE1 2.86Å; R291-E308 PolarHBondContact NH1-OE1 3.5Å; R291-E308 VanDerWaalsContact NH1-OE1 3.08Å; R291-E308 IonicContact NH2-OE1 3.17Å; R291-E308 PolarHBondContact NH2-OE1 3.42Å; R291-E308 IonicContact NH2-OE2 2.72Å; R291-E308 PolarHBondContact NH2-OE2 2.8Å; L304-E308 HydrophobicContact CD1-CG 4.43Å; P305-E308 HydrophobicContact CG-CB 4.08Å; P305-E308 PolarHBondContact O-N 2.88Å; E308-Q311 PolarHBondContact O-N 2.76Å; E308-A312 PolarHBondContact O-N 2.94Å; E308-A312 VanDerWaalsContact O-N 3.08Å |
| 309 | I | 85 | Confident | 79.2 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.4 | -48.5 | 172.7 | -70.2 | 170.3 | 0 | 0 | 0 | 111.2 | L273 F289 L304 M306 Q311 A312 I313 L322 I327 | L273-I309 HydrophobicContact CD2-CG2 3.47Å; L273-I309 VanDerWaalsContact CD2-CG2 3.47Å; F289-I309 HydrophobicContact CE2-CG1 4.1Å; F289-I309 HydrophobicContact CZ-CG1 4.4Å; L304-I309 HydrophobicContact CD2-CD1 3.73Å; L304-I309 HydrophobicContact CD2-CG1 3.67Å; L304-I309 HydrophobicContact CG-CD1 4.05Å; L304-I309 HydrophobicContact CG-CG1 3.98Å; M306-I309 PolarHBondContact O-N 2.89Å; M306-I309 HydrophobicContact SD-CB 4.35Å; M306-I309 HydrophobicContact SD-CD1 3.67Å; M306-I309 HydrophobicContact SD-CG2 4.38Å; I309-Q311 PolarHBondContact O-N 2.64Å; I309-A312 PolarHBondContact O-N 3.39Å; I309-I313 HydrophobicContact CG2-CD1 4.25Å; I309-I313 WeakPolarHBondContact O-CG1 3.34Å; I309-I313 PolarHBondContact O-N 3.08Å; I309-L322 HydrophobicContact CG2-CD1 4.02Å; I309-L322 HydrophobicContact CG2-CD2 3.55Å; I309-L322 HydrophobicContact CG2-CG 4.41Å; I309-I327 HydrophobicContact CD1-CD1 4.26Å |
| 310 | R | 82.9 | Confident | 78 | Confident | 121 Ų | 121 | 68.6 Ų | 68.6 | 46% | 0.457 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 179.7 | -71.5 | 178 | -173.3 | 165.7 | 0.3 | 112.2 | D244 M306 S307 A312 I313 S314 L322 | D244-R310 PolarHBondContact O-NH2 3Å; M306-R310 WeakPolarHBondContact O-CG 3.38Å; M306-R310 PolarHBondContact O-N 3.17Å; S307-R310 PolarHBondContact O-N 2.93Å; R310-A312 PolarHBondContact O-N 2.78Å; R310-I313 PolarHBondContact O-N 3.49Å; R310-S314 PolarHBondContact O-N 2.54Å; R310-S314 PolarHBondContact O-OG 2.85Å; R310-L322 HydrophobicContact CG-CD1 3.73Å |
| 311 | Q | 82.6 | Confident | 77.1 | Confident | 136 Ų | 136 | 71.3 Ų | 71.3 | 64% | 0.636 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.8 | -41.2 | 177.9 | -75.4 | 174.1 | -1.5 | 0 | 0 | 112 | S307 E308 I309 I313 S314 | S307-Q311 WeakPolarHBondContact O-CG 3.44Å; S307-Q311 PolarHBondContact O-N 3.15Å; E308-Q311 PolarHBondContact O-N 2.76Å; I309-Q311 PolarHBondContact O-N 2.64Å; Q311-I313 PolarHBondContact O-N 3.33Å; Q311-S314 WeakPolarHBondContact CA-OG 3.3Å; Q311-S314 PolarHBondContact O-N 3.42Å; Q311-S314 PolarHBondContact O-OG 2.94Å |
| 312 | A | 80 | Confident | 76.5 | Confident | 29 Ų | 29 | 66 Ų | 66 | 24% | 0.24 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A287 F289 E308 I309 R310 S315 | A287-A312 HydrophobicContact CB-CB 3.82Å; F289-A312 HydrophobicContact CE1-CB 3.89Å; F289-A312 HydrophobicContact CE2-CB 4.29Å; F289-A312 HydrophobicContact CZ-CB 3.38Å; E308-A312 PolarHBondContact O-N 2.94Å; E308-A312 VanDerWaalsContact O-N 3.08Å; I309-A312 PolarHBondContact O-N 3.39Å; R310-A312 PolarHBondContact O-N 2.78Å; A312-S315 PolarHBondContact O-OG 3.43Å |
| 313 | I | 77.5 | Confident | 75.5 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.015 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -71.2 | -35 | 178.9 | -62.6 | 173.5 | 0 | 0 | 0 | 111.8 | L273 A287 I309 R310 Q311 S315 S316 L322 | L273-I313 HydrophobicContact CD2-CD1 3.95Å; A287-I313 HydrophobicContact CB-CG1 4.47Å; I309-I313 HydrophobicContact CG2-CD1 4.25Å; I309-I313 WeakPolarHBondContact O-CG1 3.34Å; I309-I313 PolarHBondContact O-N 3.08Å; R310-I313 PolarHBondContact O-N 3.49Å; Q311-I313 PolarHBondContact O-N 3.33Å; I313-S315 PolarHBondContact O-N 3.05Å; I313-S316 WeakPolarHBondContact O-CA 3.42Å; I313-S316 PolarHBondContact O-N 3.12Å; I313-S316 PolarHBondContact O-OG 3.26Å; I313-L322 HydrophobicContact CD1-CD2 3.26Å; I313-L322 HydrophobicContact CD1-CG 4.14Å |
| 314 | S | 65.8 | Low | 74.7 | Confident | 85 Ų | 85 | 65.8 Ų | 65.8 | 59% | 0.594 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.1 | -15.5 | -178.9 | 58.3 | 0 | 0 | 0 | 0 | 114.7 | R310 Q311 S316 | R310-S314 PolarHBondContact O-N 2.54Å; R310-S314 PolarHBondContact O-OG 2.85Å; Q311-S314 WeakPolarHBondContact CA-OG 3.3Å; Q311-S314 PolarHBondContact O-N 3.42Å; Q311-S314 PolarHBondContact O-OG 2.94Å; S314-S316 VanDerWaalsContact C-N 3.27Å |
| 315 | S | 62.2 | Low | 74.3 | Confident | 102 Ų | 102 | 65.7 Ų | 65.7 | 71% | 0.713 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -17.4 | 170.8 | 71.3 | 0 | 0 | 0 | 0 | 113.6 | A312 I313 | A312-S315 PolarHBondContact O-OG 3.43Å; I313-S315 PolarHBondContact O-N 3.05Å |
| 316 | S | 59.9 | Low | 74 | Confident | 53 Ų | 53 | 63.9 Ų | 63.9 | 37% | 0.371 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -103.8 | 107.9 | 176.9 | 69.5 | 0 | 0 | 0 | 0 | 110.4 | I313 S314 I318 | I313-S316 WeakPolarHBondContact O-CA 3.42Å; I313-S316 PolarHBondContact O-N 3.12Å; I313-S316 PolarHBondContact O-OG 3.26Å; S314-S316 VanDerWaalsContact C-N 3.27Å; S316-I318 VanDerWaalsContact C-N 3.26Å; S316-I318 PolarHBondContact O-N 2.92Å |
| 317 | T | 54.6 | Low | 74.2 | Confident | 140 Ų | 140 | 63.7 Ų | 63.7 | 86% | 0.859 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 17.8 | -159.9 | 45.6 | 0 | 0 | 0 | 0 | 117.3 | ||
| 318 | I | 58.6 | Low | 74.5 | Confident | 145 Ų | 145 | 61.2 Ų | 61.2 | 74% | 0.744 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | -27.3 | -166.2 | -57.8 | 178.7 | 0 | 0 | 0 | 114.7 | S316 | S316-I318 VanDerWaalsContact C-N 3.26Å; S316-I318 PolarHBondContact O-N 2.92Å |
| 319 | D | 59.4 | Low | 74.7 | Confident | 93 Ų | 93 | 58.9 Ų | 58.9 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | trans | -160 | 109.7 | 175.8 | -86.8 | -42.6 | 0 | 0 | 0 | 111.1 | S321 | D319-S321 PolarHBondContact O-N 3.14Š| ||
| 320 | S | 62.7 | Low | 75.1 | Confident | 113 Ų | 113 | 61.1 Ų | 61.1 | 79% | 0.79 | 36% | 0.356 | S | S | * | . | trans | -77.1 | -4.4 | 176.5 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 321 | S | 71.9 | Confident | 75.7 | Confident | 60 Ų | 60 | 55.4 Ų | 55.4 | 42% | 0.42 | 33% | 0.334 | S | S | . | . | trans | -78.4 | 125.3 | -177.8 | -173.3 | 0 | 0 | 0 | 0 | 111.6 | R286 D319 A323 | R286-S321 PolarHBondContact NH1-O 3.19Å; D319-S321 PolarHBondContact O-N 3.14Å; S321-A323 VanDerWaalsContact C-N 3.3Å; S321-A323 WeakPolarHBondContact OG-CB 3.42Å; S321-A323 PolarHBondContact OG-N 3.44Å | ||
| 322 | L | 78.5 | Confident | 76.2 | Confident | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | trans | -80.3 | -10.9 | 171 | -79.2 | 167 | 0 | 0 | 0 | 113 | D244 L273 M306 I309 R310 I313 N324 T325 V350 | D244-L322 HydrophobicContact CB-CB 4.39Å; L273-L322 HydrophobicContact CD2-CD2 4.16Å; M306-L322 HydrophobicContact CG-CD1 4.22Å; M306-L322 HydrophobicContact SD-CD1 4.05Å; I309-L322 HydrophobicContact CG2-CD1 4.02Å; I309-L322 HydrophobicContact CG2-CD2 3.55Å; I309-L322 HydrophobicContact CG2-CG 4.41Å; R310-L322 HydrophobicContact CG-CD1 3.73Å; I313-L322 HydrophobicContact CD1-CD2 3.26Å; I313-L322 HydrophobicContact CD1-CG 4.14Å; L322-N324 PolarHBondContact O-N 3.24Å; L322-T325 WeakPolarHBondContact O-CB 3.48Å; L322-T325 WeakPolarHBondContact O-CG2 3.42Å; L322-T325 PolarHBondContact O-N 3.17Å; L322-T325 PolarHBondContact O-OG1 3.2Å; L322-V350 HydrophobicContact CB-CG1 4.13Å | ||
| 323 | A | 71.7 | Confident | 76.9 | Confident | 28 Ų | 28 | 49.6 Ų | 49.6 | 23% | 0.231 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 136.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | S321 T325 | S321-A323 VanDerWaalsContact C-N 3.3Å; S321-A323 WeakPolarHBondContact OG-CB 3.42Å; S321-A323 PolarHBondContact OG-N 3.44Å; A323-T325 VanDerWaalsContact C-N 3.27Å; A323-T325 PolarHBondContact O-N 3.05Å |
| 324 | N | 74.6 | Confident | 77.6 | Confident | 98 Ų | 98 | 53.3 Ų | 53.3 | 52% | 0.524 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 24.9 | -175.7 | -64.2 | -32.8 | 0 | 0 | 0 | 115.1 | S276 L322 V350 | S276-N324 WeakPolarHBondContact CB-O 3.28Å; S276-N324 PolarHBondContact N-O 2.76Å; S276-N324 VanDerWaalsContact N-O 3.13Å; L322-N324 PolarHBondContact O-N 3.24Å; N324-V350 PolarHBondContact N-O 2.84Å; N324-V350 VanDerWaalsContact N-O 3.09Å |
| 325 | T | 81.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 141.4 | 166.4 | 61.8 | 0 | 0 | 0 | 0 | 111.2 | R274 L322 A323 V350 | R274-T325 CarbonylContact O-C 3.56Å; R274-T325 WeakPolarHBondContact O-CA 3.27Å; L322-T325 WeakPolarHBondContact O-CB 3.48Å; L322-T325 WeakPolarHBondContact O-CG2 3.42Å; L322-T325 PolarHBondContact O-N 3.17Å; L322-T325 PolarHBondContact O-OG1 3.2Å; A323-T325 VanDerWaalsContact C-N 3.27Å; A323-T325 PolarHBondContact O-N 3.05Å; T325-V350 PolarHBondContact O-N 3Å; T325-V350 WeakPolarHBondContact OG1-CG2 3.13Å |
| 326 | E | 86.6 | Confident | 79.7 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.028 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.2 | 171.3 | -68.1 | 174.4 | -169 | 0 | 0 | 108.1 | R274 S276 R280 W328 T348 | R274-E326 PolarHBondContact N-O 3.26Å; R274-E326 PolarHBondContact O-N 3.09Å; S276-E326 WeakPolarHBondContact CA-OE1 3.34Å; S276-E326 VanDerWaalsContact CB-OE1 3.3Å; S276-E326 WeakPolarHBondContact CB-OE1 3.26Å; S276-E326 PolarHBondContact OG-OE1 2.81Å; R280-E326 IonicContact CZ-OE2 3.34Å; R280-E326 IonicContact NH1-OE1 3.99Å; R280-E326 IonicContact NH1-OE2 2.96Å; R280-E326 PolarHBondContact NH1-OE2 3.19Å; E326-W328 PolarHBondContact OE2-NE1 3.26Å; E326-T348 WeakPolarHBondContact CA-O 3.42Å |
| 327 | I | 89.5 | Confident | 80.4 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 114 | 172.9 | -50.7 | 173.8 | 0 | 0 | 0 | 107.7 | L249 I271 L273 I309 V329 F347 T348 V350 | L249-I327 HydrophobicContact CD2-CB 4.38Å; L249-I327 HydrophobicContact CD2-CD1 4.2Å; L249-I327 HydrophobicContact CD2-CG2 3.68Å; I271-I327 HydrophobicContact CG2-CG2 3.41Å; I271-I327 VanDerWaalsContact CG2-CG2 3.41Å; L273-I327 HydrophobicContact CG-CG1 4.26Å; I309-I327 HydrophobicContact CD1-CD1 4.26Å; I327-V329 HydrophobicContact CG2-CG2 4.41Å; I327-F347 CarbonylContact O-C 3.56Å; I327-F347 VanDerWaalsContact O-CA 3.24Å; I327-F347 WeakPolarHBondContact O-CA 3.36Å; I327-T348 HydrophobicContact CB-CG2 3.76Å; I327-T348 HydrophobicContact CD1-CG2 4.25Å; I327-T348 HydrophobicContact CG1-CG2 4.32Å; I327-T348 PolarHBondContact N-O 2.9Å; I327-T348 PolarHBondContact O-N 3.49Å; I327-V350 HydrophobicContact CD1-CG2 3.56Å; I327-V350 HydrophobicContact CG1-CG2 3.74Å |
| 328 | W | 90.4 | Very high | 81.4 | Confident | 18 Ų | 18 | 48 Ų | 48 | 7% | 0.068 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 126.6 | 177.1 | -72.7 | 76 | 0 | 0 | 0 | 109.2 | I271 Q272 W281 E326 W345 F347 | I271-W328 CarbonylContact C-O 3.42Å; I271-W328 VanDerWaalsContact CA-O 3.3Å; I271-W328 WeakPolarHBondContact CA-O 3.48Å; Q272-W328 HydrophobicContact CB-CB 4.4Å; Q272-W328 PolarHBondContact N-O 2.94Å; Q272-W328 PolarHBondContact O-N 2.75Å; W281-W328 HydrophobicContact CH2-CD2 4.07Å; W281-W328 AromaticContact CH2-CE3 3.93Å; W281-W328 HydrophobicContact CH2-CE3 3.93Å; W281-W328 HydrophobicContact CH2-CH2 4.45Å; W281-W328 HydrophobicContact CH2-CZ3 4.13Å; W281-W328 HydrophobicContact CZ2-CD2 4.2Å; W281-W328 HydrophobicContact CZ2-CE3 4.02Å; W281-W328 AromaticContact CZ2-CH2 3.72Å; W281-W328 HydrophobicContact CZ2-CH2 3.72Å; W281-W328 AromaticContact CZ2-CZ2 3.89Å; W281-W328 HydrophobicContact CZ2-CZ2 3.89Å; W281-W328 AromaticContact CZ2-CZ3 3.78Å; W281-W328 HydrophobicContact CZ2-CZ3 3.78Å; E326-W328 PolarHBondContact OE2-NE1 3.26Å; W328-W345 HydrophobicContact CE3-CE3 4.19Å; W328-W345 HydrophobicContact CE3-CZ3 4.46Å; W328-W345 HydrophobicContact CH2-CZ3 4.25Å; W328-W345 AromaticContact CZ3-CE3 3.72Å; W328-W345 HydrophobicContact CZ3-CE3 3.72Å; W328-W345 HydrophobicContact CZ3-CH2 4.45Å; W328-W345 AromaticContact CZ3-CZ3 3.62Å; W328-W345 HydrophobicContact CZ3-CZ3 3.62Å; W328-F347 HydrophobicContact CD2-CB 3.79Å; W328-F347 HydrophobicContact CE3-CB 4.03Å; W328-F347 HydrophobicContact CG-CB 4.11Å; W328-F347 AromaticContact CH2-CD1 3.91Å; W328-F347 HydrophobicContact CH2-CD1 3.91Å; W328-F347 HydrophobicContact CH2-CG 4.44Å; W328-F347 HydrophobicContact CZ2-CB 4.36Å; W328-F347 HydrophobicContact CZ2-CD1 4.01Å; W328-F347 HydrophobicContact CZ2-CG 4.2Å; W328-F347 HydrophobicContact CZ3-CB 4.4Å; W328-F347 HydrophobicContact CZ3-CD1 4.3Å |
| 329 | V | 93 | Very high | 82.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 113 | 177.7 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | V236 L238 L249 V269 L270 I271 F302 I327 V331 W345 A346 | V236-V329 HydrophobicContact CG1-CG1 4.22Å; L238-V329 HydrophobicContact CD1-CB 3.9Å; L238-V329 HydrophobicContact CD1-CG2 3.57Å; L238-V329 HydrophobicContact CD2-CG2 4.05Å; L238-V329 HydrophobicContact CG-CG2 4.43Å; L249-V329 HydrophobicContact CD2-CG2 4.12Å; V269-V329 HydrophobicContact CG1-CG1 3.53Å; L270-V329 CarbonylContact O-C 3.26Å; L270-V329 WeakPolarHBondContact O-CA 3.5Å; I271-V329 HydrophobicContact CG1-CG1 4.3Å; I271-V329 HydrophobicContact CG1-CG2 4.24Å; I271-V329 HydrophobicContact CG2-CG2 4.31Å; F302-V329 HydrophobicContact CE1-CG1 4.1Å; F302-V329 HydrophobicContact CE2-CG1 4.47Å; F302-V329 HydrophobicContact CZ-CB 4.48Å; F302-V329 HydrophobicContact CZ-CG1 3.64Å; F302-V329 HydrophobicContact CZ-CG2 4.17Å; I327-V329 HydrophobicContact CG2-CG2 4.41Å; V329-V331 HydrophobicContact CG1-CG2 4.02Å; V329-W345 CarbonylContact O-C 3.53Å; V329-W345 WeakPolarHBondContact O-CA 3.36Å; V329-A346 PolarHBondContact N-O 3.07Å; V329-A346 PolarHBondContact O-N 2.99Å |
| 330 | N | 93.6 | Very high | 83.3 | Confident | 47 Ų | 47 | 43.6 Ų | 43.6 | 25% | 0.251 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 118.3 | 173.6 | -67.3 | -15.6 | 0 | 0 | 0 | 108.9 | L270 W345 | L270-N330 HydrophobicContact CB-CB 4.24Å; L270-N330 WeakPolarHBondContact CB-O 3.39Å; L270-N330 PolarHBondContact N-O 3.38Å; L270-N330 PolarHBondContact O-N 2.66Å; N330-W345 WeakPolarHBondContact OD1-CB 3.36Å |
| 331 | V | 94.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 118.7 | 179.5 | -179 | 0 | 0 | 0 | 0 | 108.8 | V234 V236 I253 A267 T268 V269 V329 T343 G344 | V234-V331 HydrophobicContact CG1-CB 4.32Å; V234-V331 HydrophobicContact CG1-CG1 4.09Å; V236-V331 HydrophobicContact CB-CG2 4.45Å; V236-V331 HydrophobicContact CG1-CG2 4.04Å; V236-V331 HydrophobicContact CG2-CB 3.74Å; V236-V331 HydrophobicContact CG2-CG2 3.5Å; V236-V331 VanDerWaalsContact CG2-CG2 3.5Å; I253-V331 HydrophobicContact CD1-CG1 3.86Å; I253-V331 HydrophobicContact CD1-CG2 3.81Å; I253-V331 HydrophobicContact CG1-CG1 4.29Å; I253-V331 HydrophobicContact CG1-CG2 4Å; I253-V331 HydrophobicContact CG2-CG1 3.81Å; A267-V331 HydrophobicContact CB-CG1 4.05Å; T268-V331 WeakPolarHBondContact O-CA 3.32Å; V269-V331 HydrophobicContact CG1-CG2 4.12Å; V269-V331 HydrophobicContact CG2-CG1 4.47Å; V269-V331 HydrophobicContact CG2-CG2 4.19Å; V329-V331 HydrophobicContact CG1-CG2 4.02Å; V331-T343 CarbonylContact O-C 3.55Å; V331-T343 WeakPolarHBondContact O-CA 3.17Å; V331-G344 PolarHBondContact N-O 2.89Å; V331-G344 PolarHBondContact O-N 2.72Å |
| 332 | T | 94.5 | Very high | 85.3 | Confident | 44 Ų | 44 | 43.9 Ų | 43.9 | 27% | 0.27 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 110.6 | 170.2 | 58.7 | 0 | 0 | 0 | 0 | 108.2 | A267 T268 R342 T343 | A267-T332 CarbonylContact C-O 3.48Å; A267-T332 WeakPolarHBondContact CA-O 3.06Å; T268-T332 PolarHBondContact N-O 3.4Å; T268-T332 PolarHBondContact O-N 3.4Å; T268-T332 PolarHBondContact O-OG1 3.29Å; T268-T332 PolarHBondContact OG1-OG1 3.17Å; T332-R342 CarbonylContact C-O 3.57Å; T332-R342 WeakPolarHBondContact CA-O 3.11Å; T332-T343 HydrophobicContact CG2-CG2 3.47Å; T332-T343 VanDerWaalsContact CG2-CG2 3.47Å |
| 333 | Y | 93.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 138.7 | 177.2 | -158.1 | -78.9 | 0 | 0 | 0 | 108.6 | W232 V234 I253 A255 V263 G265 N266 A267 L296 H341 R342 | W232-Y333 AromaticContact CH2-CD1 3.76Å; W232-Y333 HydrophobicContact CH2-CD1 3.76Å; W232-Y333 HydrophobicContact CH2-CG 4.29Å; W232-Y333 WeakPolarHBondContact CH2-O 3.35Å; W232-Y333 AromaticContact CZ3-CD1 3.57Å; W232-Y333 HydrophobicContact CZ3-CD1 3.57Å; W232-Y333 AromaticContact CZ3-CG 3.94Å; W232-Y333 HydrophobicContact CZ3-CG 3.94Å; V234-Y333 VanDerWaalsContact CG2-CB 3.46Å; V234-Y333 HydrophobicContact CG2-CG 4.25Å; I253-Y333 HydrophobicContact CG2-CD2 4.29Å; A255-Y333 HydrophobicContact CB-CD1 3.84Å; A255-Y333 HydrophobicContact CB-CD2 3.62Å; A255-Y333 HydrophobicContact CB-CE1 3.81Å; A255-Y333 HydrophobicContact CB-CE2 3.58Å; A255-Y333 HydrophobicContact CB-CG 3.76Å; V263-Y333 HydrophobicContact CB-CE1 4.2Å; V263-Y333 HydrophobicContact CG1-CD1 4.36Å; V263-Y333 HydrophobicContact CG1-CE1 3.89Å; V263-Y333 PolarHBondContact O-OH 2.86Å; G265-Y333 PolarHBondContact N-OH 2.89Å; N266-Y333 CarbonylContact O-C 3.47Å; N266-Y333 WeakPolarHBondContact O-CA 3.31Å; A267-Y333 HydrophobicContact CB-CD2 3.79Å; A267-Y333 HydrophobicContact CB-CE2 4.26Å; L296-Y333 HydrophobicContact CB-CE2 4.18Å; L296-Y333 VanDerWaalsContact CB-OH 3.31Å; L296-Y333 WeakPolarHBondContact CB-OH 2.97Å; L296-Y333 HydrophobicContact CD1-CE2 3.74Å; L296-Y333 PolarHBondContact O-OH 3.17Å; Y333-H341 CarbonylContact O-C 3.54Å; Y333-H341 WeakPolarHBondContact O-CA 3.41Å; Y333-H341 VanDerWaalsContact O-CB 3.3Å; Y333-H341 WeakPolarHBondContact O-CB 3.14Å; Y333-R342 PolarHBondContact N-O 3.14Å; Y333-R342 PolarHBondContact O-N 2.91Å |
| 334 | F | 93.2 | Very high | 86.7 | Confident | 81 Ų | 81 | 46 Ų | 46 | 36% | 0.355 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 115.4 | 179.9 | 175.1 | -98.9 | 0 | 0 | 0 | 109.7 | G265 N266 K339 T340 H341 | G265-F334 CarbonylContact C-O 3.48Å; G265-F334 WeakPolarHBondContact CA-O 3.29Å; N266-F334 PolarHBondContact N-O 3.35Å; N266-F334 PolarHBondContact O-N 2.99Å; F334-K339 HydrophobicContact CE2-CB 4.41Å; F334-K339 WeakPolarHBondContact CE2-O 3.29Å; F334-K339 HydrophobicContact CZ-CB 4.24Å; F334-T340 WeakPolarHBondContact CA-O 3.47Å; F334-H341 HydrophobicContact CD2-CB 4.39Å |
| 335 | N | 88.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 127.2 | 178.3 | -177 | -10.3 | 0 | 0 | 0 | 110.7 | W232 Y257 V263 W337 E338 K339 T340 | W232-N335 HydrophobicContact CH2-CB 4.21Å; W232-N335 HydrophobicContact CZ2-CB 3.69Å; Y257-N335 PolarHBondContact OH-ND2 2.99Å; V263-N335 HydrophobicContact CG1-CB 3.84Å; N335-W337 PolarHBondContact O-N 3Å; N335-W337 PolarHBondContact OD1-N 3.24Å; N335-E338 HydrophobicContact CB-CB 4.44Å; N335-E338 VanDerWaalsContact ND2-CD 3.31Å; N335-E338 WeakPolarHBondContact ND2-CG 3.42Å; N335-E338 PolarHBondContact ND2-OE2 2.87Å; N335-K339 VanDerWaalsContact O-CA 3.27Å; N335-K339 WeakPolarHBondContact O-CA 3.46Å; N335-K339 PolarHBondContact O-N 2.85Å; N335-T340 PolarHBondContact N-O 2.79Å |
| 336 | W | 83.9 | Confident | 87.9 | Confident | 108 Ų | 108 | 44 Ų | 44 | 41% | 0.409 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -31.2 | -179.6 | -65.6 | -18.4 | 0 | 0 | 0 | 114.4 | K264 N266 A295 | K264-W336 HydrophobicContact CB-CE3 4.13Å; K264-W336 HydrophobicContact CB-CZ3 4.38Å; K264-W336 PolarHBondContact O-N 3.45Å; N266-W336 WeakPolarHBondContact OD1-CZ2 3.44Å; N266-W336 PolarHBondContact OD1-NE1 3.46Å; N266-W336 VanDerWaalsContact OD1-NE1 3.16Å; A295-W336 VanDerWaalsContact CA-CZ2 3.46Å; A295-W336 HydrophobicContact CB-CH2 3.62Å; A295-W336 HydrophobicContact CB-CZ2 3.85Å |
| 337 | W | 74.5 | Confident | 87.8 | Confident | 135 Ų | 135 | 44 Ų | 44 | 51% | 0.511 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -51.6 | -176.5 | -79.5 | -81 | 0 | 0 | 0 | 112.4 | K264 N335 K339 | K264-W337 HydrophobicContact CB-CE3 4.41Å; K264-W337 HydrophobicContact CB-CH2 4.14Å; K264-W337 HydrophobicContact CB-CZ3 3.5Å; K264-W337 HydrophobicContact CD-CH2 3.69Å; K264-W337 HydrophobicContact CD-CZ3 3.88Å; K264-W337 HydrophobicContact CG-CH2 3.95Å; K264-W337 HydrophobicContact CG-CZ3 3.57Å; N335-W337 PolarHBondContact O-N 3Å; N335-W337 PolarHBondContact OD1-N 3.24Å; W337-K339 VanDerWaalsContact C-N 3.29Å |
| 338 | E | 74.4 | Confident | 87.7 | Confident | 26 Ų | 26 | 44 Ų | 44 | 12% | 0.121 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -17.3 | -178.1 | -65.8 | 173.3 | 169.9 | 0 | 0 | 111.9 | W232 Y257 N335 T340 I1451 | W232-E338 PolarHBondContact NE1-OE2 3.34Å; Y257-E338 WeakPolarHBondContact CE1-OE1 3.1Å; N335-E338 HydrophobicContact CB-CB 4.44Å; N335-E338 VanDerWaalsContact ND2-CD 3.31Å; N335-E338 WeakPolarHBondContact ND2-CG 3.42Å; N335-E338 PolarHBondContact ND2-OE2 2.87Å; E338-T340 HydrophobicContact CB-CG2 4.13Å; E338-T340 WeakPolarHBondContact CB-OG1 3.39Å; E338-T340 PolarHBondContact O-N 2.88Å; E338-T340 PolarHBondContact OE2-OG1 2.82Å; E338-I1451 WeakPolarHBondContact O-CD1 2.85Å |
| 339 | K | 78.9 | Confident | 87.4 | Confident | 121 Ų | 121 | 45 Ų | 45 | 53% | 0.526 | 20% | 0.204 | S | C | . | . | trans | 56.5 | 23.5 | -172.7 | -57.7 | -176.5 | 176.9 | -176.9 | 0 | 113.3 | F334 N335 W337 I1451 | F334-K339 HydrophobicContact CE2-CB 4.41Å; F334-K339 WeakPolarHBondContact CE2-O 3.29Å; F334-K339 HydrophobicContact CZ-CB 4.24Å; N335-K339 VanDerWaalsContact O-CA 3.27Å; N335-K339 WeakPolarHBondContact O-CA 3.46Å; N335-K339 PolarHBondContact O-N 2.85Å; W337-K339 VanDerWaalsContact C-N 3.29Å; K339-I1451 HydrophobicContact CB-CD1 4.38Å | ||
| 340 | T | 80 | Confident | 87 | Confident | 24 Ų | 24 | 45 Ų | 45 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | trans | -93.7 | 154.5 | 174.5 | 49.7 | 0 | 0 | 0 | 0 | 110.4 | W232 F334 N335 E338 E1533 | W232-T340 PolarHBondContact NE1-OG1 2.85Å; F334-T340 WeakPolarHBondContact CA-O 3.47Å; N335-T340 PolarHBondContact N-O 2.79Å; E338-T340 HydrophobicContact CB-CG2 4.13Å; E338-T340 WeakPolarHBondContact CB-OG1 3.39Å; E338-T340 PolarHBondContact O-N 2.88Å; E338-T340 PolarHBondContact OE2-OG1 2.82Å; T340-E1533 WeakPolarHBondContact CG2-OE1 3.18Å; T340-E1533 VanDerWaalsContact CG2-OE2 3.23Å; T340-E1533 WeakPolarHBondContact CG2-OE2 3.41Å | ||
| 341 | H | 88.9 | Confident | 86.5 | Confident | 128 Ų | 128 | 43.6 Ų | 43.6 | 59% | 0.593 | 20% | 0.195 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 144.6 | 166.1 | 60.4 | -77.6 | 0 | 0 | 0 | 109.8 | Y333 F334 | Y333-H341 CarbonylContact O-C 3.54Å; Y333-H341 WeakPolarHBondContact O-CA 3.41Å; Y333-H341 VanDerWaalsContact O-CB 3.3Å; Y333-H341 WeakPolarHBondContact O-CB 3.14Å; F334-H341 HydrophobicContact CD2-CB 4.39Å |
| 342 | R | 87.7 | Confident | 85.9 | Confident | 50 Ų | 50 | 44.8 Ų | 44.8 | 19% | 0.189 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 144.6 | 173.4 | -81.1 | -81.4 | 171.6 | 178 | -9.5 | 108.4 | W232 V234 T332 Y333 | W232-R342 HydrophobicContact CD2-CB 4.43Å; W232-R342 HydrophobicContact CD2-CG 4.15Å; W232-R342 HydrophobicContact CE3-CB 4.16Å; W232-R342 HydrophobicContact CE3-CG 4.38Å; W232-R342 HydrophobicContact CH2-CB 3.68Å; W232-R342 HydrophobicContact CH2-CG 4.12Å; W232-R342 HydrophobicContact CZ2-CB 3.93Å; W232-R342 HydrophobicContact CZ2-CG 3.84Å; W232-R342 HydrophobicContact CZ3-CB 3.81Å; W232-R342 HydrophobicContact CZ3-CG 4.39Å; V234-R342 HydrophobicContact CG2-CB 3.99Å; T332-R342 CarbonylContact C-O 3.57Å; T332-R342 WeakPolarHBondContact CA-O 3.11Å; Y333-R342 PolarHBondContact N-O 3.14Å; Y333-R342 PolarHBondContact O-N 2.91Å |
| 343 | T | 90.5 | Very high | 85.3 | Confident | 79 Ų | 79 | 44 Ų | 44 | 49% | 0.485 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 133.1 | 178 | 61.5 | 0 | 0 | 0 | 0 | 109 | V331 T332 | V331-T343 CarbonylContact O-C 3.55Å; V331-T343 WeakPolarHBondContact O-CA 3.17Å; T332-T343 HydrophobicContact CG2-CG2 3.47Å; T332-T343 VanDerWaalsContact CG2-CG2 3.47Å |
| 344 | G | 89.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 151.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | V234 V331 | V234-G344 WeakPolarHBondContact O-CA 3.47Å; V331-G344 PolarHBondContact N-O 2.89Å; V331-G344 PolarHBondContact O-N 2.72Å |
| 345 | W | 90.8 | Very high | 84.2 | Confident | 54 Ų | 54 | 43.5 Ų | 43.5 | 21% | 0.205 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 154.7 | -178.9 | 62.1 | -85.8 | 0 | 0 | 0 | 111.9 | W328 V329 N330 F347 N736 F738 D739 | W328-W345 HydrophobicContact CE3-CE3 4.19Å; W328-W345 HydrophobicContact CE3-CZ3 4.46Å; W328-W345 HydrophobicContact CH2-CZ3 4.25Å; W328-W345 AromaticContact CZ3-CE3 3.72Å; W328-W345 HydrophobicContact CZ3-CE3 3.72Å; W328-W345 HydrophobicContact CZ3-CH2 4.45Å; W328-W345 AromaticContact CZ3-CZ3 3.62Å; W328-W345 HydrophobicContact CZ3-CZ3 3.62Å; V329-W345 CarbonylContact O-C 3.53Å; V329-W345 WeakPolarHBondContact O-CA 3.36Å; N330-W345 WeakPolarHBondContact OD1-CB 3.36Å; W345-F347 HydrophobicContact CZ3-CD1 4.4Å; W345-N736 HydrophobicContact CH2-CB 4.26Å; W345-N736 WeakPolarHBondContact CH2-O 2.94Å; W345-N736 WeakPolarHBondContact CZ3-O 3.39Å; W345-F738 CarbonylContact O-C 3.48Å; W345-F738 VanDerWaalsContact O-CA 3.24Å; W345-F738 WeakPolarHBondContact O-CA 3.13Å; W345-F738 WeakPolarHBondContact O-CB 3.46Å; W345-D739 HydrophobicContact CD2-CB 4.49Å; W345-D739 HydrophobicContact CG-CB 4.26Å; W345-D739 PolarHBondContact O-N 2.98Å |
| 346 | A | 89.1 | Confident | 84.1 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 3% | 0.025 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 154.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | V236 L238 V329 T737 F738 | V236-A346 HydrophobicContact CB-CB 3.99Å; V236-A346 HydrophobicContact CG1-CB 3.92Å; V236-A346 VanDerWaalsContact O-CB 3.26Å; V236-A346 WeakPolarHBondContact O-CB 3.29Å; L238-A346 HydrophobicContact CB-CB 4.38Å; L238-A346 HydrophobicContact CD1-CB 3.59Å; L238-A346 WeakPolarHBondContact CD1-O 2.97Å; L238-A346 HydrophobicContact CG-CB 3.77Å; V329-A346 PolarHBondContact N-O 3.07Å; V329-A346 PolarHBondContact O-N 2.99Å; A346-T737 CarbonylContact C-O 3.29Å; A346-T737 VanDerWaalsContact CA-O 3.31Å; A346-T737 WeakPolarHBondContact CA-O 3.41Å; A346-F738 HydrophobicContact CB-CB 3.79Å |
| 347 | F | 86.3 | Confident | 84.3 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 154.1 | 173.1 | 89.2 | -101.2 | 0 | 0 | 0 | 112.1 | I327 W328 W345 L732 N736 T737 | I327-F347 CarbonylContact O-C 3.56Å; I327-F347 VanDerWaalsContact O-CA 3.24Å; I327-F347 WeakPolarHBondContact O-CA 3.36Å; W328-F347 HydrophobicContact CD2-CB 3.79Å; W328-F347 HydrophobicContact CE3-CB 4.03Å; W328-F347 HydrophobicContact CG-CB 4.11Å; W328-F347 AromaticContact CH2-CD1 3.91Å; W328-F347 HydrophobicContact CH2-CD1 3.91Å; W328-F347 HydrophobicContact CH2-CG 4.44Å; W328-F347 HydrophobicContact CZ2-CB 4.36Å; W328-F347 HydrophobicContact CZ2-CD1 4.01Å; W328-F347 HydrophobicContact CZ2-CG 4.2Å; W328-F347 HydrophobicContact CZ3-CB 4.4Å; W328-F347 HydrophobicContact CZ3-CD1 4.3Å; W345-F347 HydrophobicContact CZ3-CD1 4.4Å; F347-L732 HydrophobicContact CE2-CD2 4.07Å; F347-L732 HydrophobicContact CZ-CD2 4.16Å; F347-N736 WeakPolarHBondContact CD1-O 3.5Å; F347-N736 WeakPolarHBondContact CE1-O 3.45Å; F347-T737 HydrophobicContact CD1-CG2 4.34Å; F347-T737 HydrophobicContact CE1-CG2 3.61Å; F347-T737 HydrophobicContact CE2-CG2 4.47Å; F347-T737 HydrophobicContact CZ-CG2 3.65Å; F347-T737 PolarHBondContact N-O 2.9Å |
| 348 | T | 86.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 150.7 | 173.3 | -175.1 | 0 | 0 | 0 | 0 | 110.1 | P239 L240 I242 L249 E326 I327 | P239-T348 WeakPolarHBondContact O-CB 3.48Å; P239-T348 PolarHBondContact O-OG1 3.19Å; L240-T348 PolarHBondContact O-OG1 2.96Å; I242-T348 HydrophobicContact CG2-CG2 4.13Å; L249-T348 HydrophobicContact CD1-CG2 3.79Å; L249-T348 HydrophobicContact CD2-CG2 4.46Å; E326-T348 WeakPolarHBondContact CA-O 3.42Å; I327-T348 HydrophobicContact CB-CG2 3.76Å; I327-T348 HydrophobicContact CD1-CG2 4.25Å; I327-T348 HydrophobicContact CG1-CG2 4.32Å; I327-T348 PolarHBondContact N-O 2.9Å; I327-T348 PolarHBondContact O-N 3.49Å |
| 349 | K | 83.8 | Confident | 85.7 | Confident | 38 Ų | 38 | 35.5 Ų | 35.5 | 17% | 0.165 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 133.9 | 175 | -168.2 | 174.2 | -177.2 | 176.9 | 0 | 110.4 | L240 I242 Y351 L732 | L240-K349 PolarHBondContact O-N 2.76Å; I242-K349 PolarHBondContact N-O 3.36Å; I242-K349 VanDerWaalsContact N-O 3.08Å; K349-Y351 HydrophobicContact CB-CD2 4.47Å; K349-Y351 HydrophobicContact CB-CE2 3.91Å; K349-Y351 HydrophobicContact CD-CE1 4.37Å; K349-Y351 HydrophobicContact CD-CE2 4.11Å; K349-Y351 HydrophobicContact CG-CD2 4.5Å; K349-Y351 HydrophobicContact CG-CE2 4.06Å; K349-Y351 WeakPolarHBondContact O-CD2 3.49Å; K349-L732 HydrophobicContact CB-CD1 3.51Å; K349-L732 HydrophobicContact CD-CD1 3.78Å; K349-L732 HydrophobicContact CD-CD2 4.35Å; K349-L732 HydrophobicContact CD-CG 4.41Å; K349-L732 HydrophobicContact CG-CD1 4.26Å |
| 350 | V | 85.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 117.7 | 175.2 | -167.8 | 0 | 0 | 0 | 0 | 109.8 | I242 D244 L322 N324 T325 I327 | I242-V350 HydrophobicContact CG2-CB 4.23Å; I242-V350 HydrophobicContact CG2-CG1 4.41Å; I242-V350 HydrophobicContact CG2-CG2 3.78Å; I242-V350 CarbonylContact O-C 3.5Å; I242-V350 WeakPolarHBondContact O-CA 3.23Å; D244-V350 HydrophobicContact CB-CG1 4.25Å; L322-V350 HydrophobicContact CB-CG1 4.13Å; N324-V350 PolarHBondContact N-O 2.84Å; N324-V350 VanDerWaalsContact N-O 3.09Å; T325-V350 PolarHBondContact O-N 3Å; T325-V350 WeakPolarHBondContact OG1-CG2 3.13Å; I327-V350 HydrophobicContact CD1-CG2 3.56Å; I327-V350 HydrophobicContact CG1-CG2 3.74Å |
| 351 | Y | 82.7 | Confident | 86.1 | Confident | 18 Ų | 18 | 29.5 Ų | 29.5 | 7% | 0.071 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 153.5 | 173.6 | -69.2 | -89.7 | 0 | 0 | 0 | 110.4 | R241 I242 T243 D244 K349 A382 D383 L732 | R241-Y351 HydrophobicContact CB-CD2 4.05Å; R241-Y351 HydrophobicContact CB-CE2 3.93Å; I242-Y351 PolarHBondContact O-N 3.13Å; T243-Y351 CarbonylContact C-O 3.54Å; T243-Y351 WeakPolarHBondContact CA-O 3.49Å; D244-Y351 PolarHBondContact N-O 3.44Å; K349-Y351 HydrophobicContact CB-CD2 4.47Å; K349-Y351 HydrophobicContact CB-CE2 3.91Å; K349-Y351 HydrophobicContact CD-CE1 4.37Å; K349-Y351 HydrophobicContact CD-CE2 4.11Å; K349-Y351 HydrophobicContact CG-CD2 4.5Å; K349-Y351 HydrophobicContact CG-CE2 4.06Å; K349-Y351 WeakPolarHBondContact O-CD2 3.49Å; Y351-A382 WeakPolarHBondContact CD1-O 3.33Å; Y351-D383 HydrophobicContact CD1-CB 3.73Å; Y351-D383 HydrophobicContact CD2-CB 3.81Å; Y351-D383 HydrophobicContact CE1-CB 3.94Å; Y351-D383 HydrophobicContact CE2-CB 4.03Å; Y351-D383 HydrophobicContact CG-CB 3.63Å; Y351-L732 HydrophobicContact CE2-CD1 3.84Å; Y351-L732 WeakPolarHBondContact OH-CD1 3.49Å |
| 352 | S | 82.1 | Confident | 85.7 | Confident | 24 Ų | 24 | 24.8 Ų | 24.8 | 17% | 0.168 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 137.4 | 171.7 | -170.6 | 0 | 0 | 0 | 0 | 110 | D244 N354 A382 | D244-S352 WeakPolarHBondContact OD2-CA 3.4Å; D244-S352 PolarHBondContact OD2-OG 3.28Å; S352-N354 PolarHBondContact O-N 2.86Å; S352-N354 PolarHBondContact OG-N 2.85Å; S352-A382 WeakPolarHBondContact O-CB 3.24Å |
| 353 | S | 80.2 | Confident | 85.5 | Confident | 29 Ų | 29 | 26.5 Ų | 26.5 | 20% | 0.203 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -74.9 | -8.6 | 171.1 | 60.5 | 0 | 0 | 0 | 0 | 113 | D244 N245 P355 M381 | D244-S353 VanDerWaalsContact CG-N 3.35Å; D244-S353 WeakPolarHBondContact OD1-CA 3.4Å; D244-S353 WeakPolarHBondContact OD1-CB 3.39Å; D244-S353 PolarHBondContact OD1-N 2.85Å; D244-S353 PolarHBondContact OD1-OG 2.8Å; D244-S353 PolarHBondContact OD2-N 2.57Å; N245-S353 WeakPolarHBondContact CB-OG 3.42Å; S353-P355 WeakPolarHBondContact O-CD 3.41Å; S353-M381 WeakPolarHBondContact O-CE 3.16Å |
| 354 | N | 81.3 | Confident | 85.4 | Confident | 68 Ų | 68 | 22.9 Ų | 22.9 | 36% | 0.364 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -69.5 | 121.3 | 176 | -67.4 | -18 | 0 | 0 | 0 | 109.3 | S352 | S352-N354 PolarHBondContact O-N 2.86Å; S352-N354 PolarHBondContact OG-N 2.85Å |
| 355 | P | 83.2 | Confident | 85.4 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.013 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 141 | 174.6 | 29.2 | -32 | 0 | 0 | 0 | 109.6 | S353 V379 Y380 M381 V387 Y440 L448 S449 | S353-P355 WeakPolarHBondContact O-CD 3.41Å; P355-V379 HydrophobicContact CB-CG1 4.06Å; P355-Y380 CarbonylContact C-O 3.33Å; P355-Y380 WeakPolarHBondContact CA-O 3.33Å; P355-M381 HydrophobicContact CB-SD 4.35Å; P355-V387 HydrophobicContact CB-CG2 4.2Å; P355-Y440 HydrophobicContact CB-CE1 4.38Å; P355-Y440 HydrophobicContact CB-CE2 4.37Å; P355-Y440 HydrophobicContact CG-CD1 3.7Å; P355-Y440 HydrophobicContact CG-CD2 4.39Å; P355-Y440 HydrophobicContact CG-CE1 3.21Å; P355-Y440 HydrophobicContact CG-CE2 3.97Å; P355-Y440 HydrophobicContact CG-CG 4.23Å; P355-Y440 WeakPolarHBondContact CG-OH 3.47Å; P355-L448 HydrophobicContact CG-CD1 4.18Å; P355-S449 VanDerWaalsContact O-CB 3.31Å; P355-S449 WeakPolarHBondContact O-CB 3.14Å |
| 356 | L | 86.1 | Confident | 85.4 | Confident | 58 Ų | 58 | 20.7 Ų | 20.7 | 30% | 0.304 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 145.6 | 176.1 | -60.1 | 178.1 | 0 | 0 | 0 | 109.2 | V379 Y380 A382 | L356-V379 WeakPolarHBondContact O-CA 3.31Å; L356-Y380 HydrophobicContact CB-CD1 4.4Å; L356-Y380 HydrophobicContact CB-CD2 4.45Å; L356-Y380 HydrophobicContact CB-CE1 3.87Å; L356-Y380 HydrophobicContact CB-CE2 3.95Å; L356-Y380 HydrophobicContact CD1-CE2 3.9Å; L356-Y380 PolarHBondContact N-O 2.83Å; L356-Y380 PolarHBondContact O-N 3.13Å; L356-A382 HydrophobicContact CD1-CB 4.25Å |
| 357 | I | 88.9 | Confident | 85.4 | Confident | 7 Ų | 7 | 20.7 Ų | 20.7 | 4% | 0.036 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 140.4 | 171.9 | -167.5 | 164.5 | 0 | 0 | 0 | 109.1 | L377 V378 V379 V395 A438 S449 D451 | I357-L377 HydrophobicContact CD1-CD2 4.13Å; I357-L377 HydrophobicContact CG1-CD2 4.07Å; I357-V378 WeakPolarHBondContact CA-O 3.41Å; I357-V379 HydrophobicContact CD1-CG2 4.38Å; I357-V379 HydrophobicContact CG1-CG2 4.35Å; I357-V395 HydrophobicContact CD1-CB 4.41Å; I357-V395 HydrophobicContact CD1-CG1 3.47Å; I357-V395 VanDerWaalsContact CD1-CG1 3.47Å; I357-V395 HydrophobicContact CD1-CG2 4.01Å; I357-A438 HydrophobicContact CD1-CB 3.68Å; I357-A438 HydrophobicContact CG1-CB 4.4Å; I357-S449 PolarHBondContact N-OG 3.47Å; I357-D451 HydrophobicContact CG2-CB 4.12Å |
| 358 | K | 87.9 | Confident | 85.5 | Confident | 30 Ų | 30 | 21.8 Ų | 21.8 | 13% | 0.13 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 133.8 | 178 | 177.8 | 177.3 | 177.5 | -172.9 | 0 | 110.9 | L377 V378 Y380 D451 E723 N728 | K358-L377 WeakPolarHBondContact O-CA 3.42Å; K358-V378 PolarHBondContact N-O 2.64Å; K358-V378 PolarHBondContact O-N 3.04Å; K358-Y380 HydrophobicContact CB-CE1 3.68Å; K358-D451 VanDerWaalsContact CA-OD2 3.3Å; K358-D451 WeakPolarHBondContact CA-OD2 3.37Å; K358-E723 WeakPolarHBondContact CE-OE1 2.99Å; K358-E723 IonicContact NZ-OE1 3.23Å; K358-E723 PolarHBondContact NZ-OE1 3.14Å; K358-E723 IonicContact NZ-OE2 2.67Å; K358-E723 PolarHBondContact NZ-OE2 2.86Å; K358-N728 PolarHBondContact NZ-OD1 3.02Å |
| 359 | F | 90.4 | Very high | 85.6 | Confident | 5 Ų | 5 | 22.8 Ų | 22.8 | 2% | 0.022 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 132.7 | 164.1 | -75.2 | -86 | 0 | 0 | 0 | 110.3 | V375 L377 L397 L436 A438 D451 Q453 | F359-V375 HydrophobicContact CD1-CG1 3.85Å; F359-V375 HydrophobicContact CE1-CG1 3.54Å; F359-L377 HydrophobicContact CB-CD2 4.48Å; F359-L377 HydrophobicContact CD1-CD2 3.45Å; F359-L377 VanDerWaalsContact CD1-CD2 3.45Å; F359-L377 HydrophobicContact CD1-CG 4.07Å; F359-L377 HydrophobicContact CD2-CD2 3.92Å; F359-L377 HydrophobicContact CE1-CD1 4.4Å; F359-L377 HydrophobicContact CE1-CD2 3.52Å; F359-L377 HydrophobicContact CE1-CG 4.03Å; F359-L377 HydrophobicContact CE2-CD2 3.95Å; F359-L377 HydrophobicContact CG-CD2 3.67Å; F359-L377 HydrophobicContact CZ-CD2 3.78Å; F359-L397 HydrophobicContact CE1-CD1 4.03Å; F359-L397 HydrophobicContact CZ-CD1 3.73Å; F359-L436 HydrophobicContact CE1-CB 3.98Å; F359-L436 HydrophobicContact CE1-CD1 4.15Å; F359-L436 HydrophobicContact CZ-CB 3.73Å; F359-A438 HydrophobicContact CE1-CB 4.48Å; F359-A438 HydrophobicContact CE2-CB 3.61Å; F359-A438 HydrophobicContact CZ-CB 3.57Å; F359-D451 HydrophobicContact CD2-CB 3.91Å; F359-D451 HydrophobicContact CE2-CB 4.25Å; F359-D451 WeakPolarHBondContact CE2-O 3.43Å; F359-D451 PolarHBondContact N-OD2 2.82Å; F359-Q453 HydrophobicContact CB-CB 3.91Å; F359-Q453 HydrophobicContact CB-CG 4.48Å; F359-Q453 HydrophobicContact CD1-CB 3.65Å; F359-Q453 HydrophobicContact CD1-CG 4.4Å; F359-Q453 HydrophobicContact CD2-CB 3.78Å; F359-Q453 HydrophobicContact CE1-CB 4.01Å; F359-Q453 HydrophobicContact CE2-CB 4.15Å; F359-Q453 HydrophobicContact CG-CB 3.51Å; F359-Q453 HydrophobicContact CG-CG 4.45Å; F359-Q453 HydrophobicContact CZ-CB 4.26Å |
| 360 | L | 87.3 | Confident | 85.7 | Confident | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -85.4 | 141.9 | 171.2 | -59.6 | -179.1 | 0 | 0 | 0 | 110.4 | Y376 V378 Q453 L628 H630 L644 | L360-Y376 PolarHBondContact N-O 2.63Å; L360-V378 HydrophobicContact CD1-CG2 3.53Å; L360-V378 HydrophobicContact CD2-CG2 3.86Å; L360-V378 HydrophobicContact CG-CG2 3.71Å; L360-Q453 PolarHBondContact O-NE2 2.97Å; L360-L628 HydrophobicContact CB-CB 4.34Å; L360-L628 HydrophobicContact CB-CD1 3.83Å; L360-L628 HydrophobicContact CB-CG 4.45Å; L360-H630 HydrophobicContact CD1-CB 4.36Å; L360-H630 HydrophobicContact CD2-CB 4.29Å; L360-L644 HydrophobicContact CD1-CD1 3.46Å; L360-L644 VanDerWaalsContact CD1-CD1 3.46Å |
| 361 | G | 79.6 | Confident | 85.9 | Confident | 15 Ų | 15 | 25 Ų | 25 | 16% | 0.155 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 95.9 | 30.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R365 | G361-R365 WeakPolarHBondContact O-CD 3.43Å; G361-R365 WeakPolarHBondContact O-CG 3.42Å |
| 362 | G | 80.7 | Confident | 86.2 | Confident | 29 Ų | 29 | 29.2 Ų | 29.2 | 30% | 0.299 | 16% | 0.159 | S | C | . | . | trans | 75.6 | 177.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V364 Q453 | G362-V364 VanDerWaalsContact C-N 3.3Å; G362-V364 PolarHBondContact O-N 3.06Å; G362-Q453 PolarHBondContact O-NE2 3.41Å | ||
| 363 | M | 83.9 | Confident | 86.5 | Confident | 87 Ų | 87 | 28.5 Ų | 28.5 | 43% | 0.429 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -72.8 | -22 | -177.2 | -69.6 | -176.5 | 64.4 | 0 | 0 | 113.1 | Q453 R454 | M363-Q453 CarbonylContact O-C 3.55Å; M363-Q453 WeakPolarHBondContact O-CA 3.44Å; M363-R454 PolarHBondContact O-N 2.92Å |
| 364 | V | 88.6 | Confident | 87 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 130 | -171.4 | -174.1 | 0 | 0 | 0 | 0 | 110 | G362 R454 F456 W715 E718 M719 | G362-V364 VanDerWaalsContact C-N 3.3Å; G362-V364 PolarHBondContact O-N 3.06Å; V364-R454 CarbonylContact C-O 3.5Å; V364-R454 VanDerWaalsContact CA-O 3.28Å; V364-R454 WeakPolarHBondContact CA-O 3.32Å; V364-R454 HydrophobicContact CG2-CB 4.44Å; V364-F456 HydrophobicContact CG1-CD1 3.76Å; V364-F456 HydrophobicContact CG1-CE1 4.04Å; V364-W715 HydrophobicContact CG1-CB 4.3Å; V364-W715 HydrophobicContact CG2-CB 3.64Å; V364-W715 WeakPolarHBondContact CG2-O 3.18Å; V364-E718 HydrophobicContact CG2-CB 4.35Å; V364-M719 HydrophobicContact CB-CB 4.46Å |
| 365 | R | 89.3 | Confident | 87.4 | Confident | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 147 | 178.8 | -65.2 | -170.2 | 68.9 | -152.6 | -7.3 | 113.2 | G361 F373 Q453 R454 L455 F456 S647 | G361-R365 WeakPolarHBondContact O-CD 3.43Å; G361-R365 WeakPolarHBondContact O-CG 3.42Å; R365-F373 HydrophobicContact CB-CE2 4.46Å; R365-F373 HydrophobicContact CB-CZ 4.26Å; R365-Q453 VanDerWaalsContact CD-NE2 3.33Å; R365-R454 PolarHBondContact N-O 2.75Å; R365-L455 HydrophobicContact CB-CD2 3.96Å; R365-L455 CarbonylContact O-C 3.56Å; R365-L455 WeakPolarHBondContact O-CA 3.33Å; R365-F456 PolarHBondContact O-N 2.99Å; R365-F456 VanDerWaalsContact O-N 3.08Å; R365-S647 PolarHBondContact NH2-OG 2.78Å |
| 366 | P | 89.7 | Confident | 87.8 | Confident | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.032 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 147.8 | 173.4 | 28.9 | -33.5 | 0 | 0 | 0 | 112.4 | F373 F456 V458 S648 | P366-F373 WeakPolarHBondContact O-CE2 3.45Å; P366-F456 CarbonylContact C-O 3.16Å; P366-F456 VanDerWaalsContact CA-O 3.29Å; P366-F456 WeakPolarHBondContact CA-O 3.08Å; P366-F456 HydrophobicContact CB-CE1 4.04Å; P366-F456 HydrophobicContact CB-CE2 3.96Å; P366-F456 HydrophobicContact CB-CZ 3.65Å; P366-F456 HydrophobicContact CG-CZ 4.29Å; P366-V458 HydrophobicContact CB-CG2 3.72Å; P366-S648 WeakPolarHBondContact CG-O 3.44Å |
| 367 | F | 89.6 | Confident | 88 | Confident | 3 Ų | 3 | 23.5 Ų | 23.5 | 1% | 0.013 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 155.4 | 167.9 | 80.4 | -85 | 0 | 0 | 0 | 111.2 | P369 F373 P426 Y434 L455 F456 A457 V458 | F367-P369 HydrophobicContact CE2-CG 4.33Å; F367-F373 HydrophobicContact CB-CB 4.47Å; F367-F373 HydrophobicContact CB-CD2 3.95Å; F367-F373 HydrophobicContact CB-CG 4.33Å; F367-P426 HydrophobicContact CB-CG 4.46Å; F367-P426 HydrophobicContact CD2-CB 3.58Å; F367-P426 HydrophobicContact CD2-CG 3.58Å; F367-P426 HydrophobicContact CE2-CB 3.55Å; F367-P426 HydrophobicContact CE2-CG 4.11Å; F367-P426 HydrophobicContact CG-CB 4.46Å; F367-P426 HydrophobicContact CG-CG 4.17Å; F367-P426 HydrophobicContact CZ-CB 4.41Å; F367-Y434 HydrophobicContact CD1-CD2 4.29Å; F367-Y434 AromaticContact CE1-CD2 3.65Å; F367-Y434 HydrophobicContact CE1-CD2 3.65Å; F367-Y434 HydrophobicContact CE1-CE2 4.15Å; F367-Y434 HydrophobicContact CE2-CD2 4.22Å; F367-Y434 AromaticContact CE2-CE2 3.96Å; F367-Y434 HydrophobicContact CE2-CE2 3.96Å; F367-Y434 AromaticContact CZ-CD2 3.6Å; F367-Y434 HydrophobicContact CZ-CD2 3.6Å; F367-Y434 AromaticContact CZ-CE2 3.6Å; F367-Y434 HydrophobicContact CZ-CE2 3.6Å; F367-L455 HydrophobicContact CB-CB 4.45Å; F367-L455 HydrophobicContact CB-CD1 4.44Å; F367-L455 HydrophobicContact CD1-CB 3.65Å; F367-L455 HydrophobicContact CE1-CB 4.37Å; F367-L455 HydrophobicContact CG-CB 4.41Å; F367-F456 WeakPolarHBondContact CD1-O 3.27Å; F367-F456 PolarHBondContact N-O 3.09Å; F367-A457 HydrophobicContact CE1-CB 3.96Å; F367-A457 VanDerWaalsContact CE1-N 3.31Å; F367-A457 HydrophobicContact CE2-CB 4.46Å; F367-A457 HydrophobicContact CZ-CB 3.84Å; F367-A457 CarbonylContact O-C 3.47Å; F367-A457 WeakPolarHBondContact O-CA 3.28Å; F367-V458 WeakPolarHBondContact O-CG2 3.35Å; F367-V458 PolarHBondContact O-N 3.47Å |
| 368 | K | 89.1 | Confident | 88 | Confident | 29 Ų | 29 | 23.2 Ų | 23.2 | 13% | 0.126 | 12% | 0.123 | C | C | . | . | trans | -99.9 | 123.4 | 175.9 | -69.5 | 165.6 | -169.1 | 174.2 | 0 | 109.4 | N370 M371 V458 Y465 L466 D549 | K368-N370 PolarHBondContact O-N 2.91Å; K368-M371 HydrophobicContact CB-CB 3.76Å; K368-M371 HydrophobicContact CB-CG 3.86Å; K368-M371 WeakPolarHBondContact O-CB 3.36Å; K368-M371 PolarHBondContact O-N 2.87Å; K368-V458 HydrophobicContact CG-CB 4.23Å; K368-V458 HydrophobicContact CG-CG2 4.01Å; K368-Y465 HydrophobicContact CB-CD1 4.27Å; K368-Y465 HydrophobicContact CB-CG 4.27Å; K368-Y465 HydrophobicContact CG-CD1 4.09Å; K368-Y465 HydrophobicContact CG-CG 4.47Å; K368-L466 WeakPolarHBondContact CD-O 3.08Å; K368-L466 WeakPolarHBondContact CE-O 3.33Å; K368-L466 PolarHBondContact NZ-O 2.93Å; K368-D549 IonicContact NZ-OD1 3.88Å; K368-D549 PolarHBondContact NZ-OD1 2.83Å; K368-D549 IonicContact NZ-OD2 3.89Å; K368-D549 PolarHBondContact NZ-OD2 3.41Å | ||
| 369 | P | 87.7 | Confident | 88 | Confident | 21 Ų | 21 | 21.8 Ų | 21.8 | 14% | 0.136 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 137 | 177.7 | -29.3 | 35.2 | 0 | 0 | 0 | 113 | F367 M371 A457 Y465 | F367-P369 HydrophobicContact CE2-CG 4.33Å; P369-M371 PolarHBondContact O-N 2.83Å; P369-A457 HydrophobicContact CG-CB 4.16Å; P369-Y465 HydrophobicContact CB-CE2 3.99Å; P369-Y465 VanDerWaalsContact CD-CZ 3.48Å; P369-Y465 HydrophobicContact CG-CE2 3.88Å |
| 370 | N | 86.8 | Confident | 87.8 | Confident | 81 Ų | 81 | 22.4 Ų | 22.4 | 43% | 0.433 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 12.3 | 180 | -63.5 | -35.4 | 0 | 0 | 0 | 115.8 | K368 R425 P426 G428 | K368-N370 PolarHBondContact O-N 2.91Å; N370-R425 VanDerWaalsContact O-CZ 3.3Å; N370-R425 PolarHBondContact O-NE 3.38Å; N370-R425 PolarHBondContact O-NH2 2.9Å; N370-P426 PolarHBondContact N-O 2.91Å; N370-P426 VanDerWaalsContact N-O 3.17Å; N370-G428 PolarHBondContact OD1-N 3.18Å |
| 371 | M | 88.6 | Confident | 87.6 | Confident | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -108.7 | 166.3 | 175.8 | -67.5 | -62.4 | -160.3 | 0 | 0 | 110.8 | K368 P369 P426 Y465 Q486 N488 | K368-M371 HydrophobicContact CB-CB 3.76Å; K368-M371 HydrophobicContact CB-CG 3.86Å; K368-M371 WeakPolarHBondContact O-CB 3.36Å; K368-M371 PolarHBondContact O-N 2.87Å; P369-M371 PolarHBondContact O-N 2.83Å; M371-P426 WeakPolarHBondContact O-CD 3.38Å; M371-Y465 WeakPolarHBondContact CE-O 3.34Å; M371-Q486 HydrophobicContact CE-CG 4.44Å; M371-Q486 HydrophobicContact SD-CG 4.06Å; M371-N488 HydrophobicContact CE-CB 3.81Å; M371-N488 VanDerWaalsContact CE-N 3.29Å |
| 372 | Y | 89.3 | Confident | 87.6 | Confident | 107 Ų | 107 | 24 Ų | 24 | 42% | 0.42 | 13% | 0.127 | S | C | . | . | trans | -79.2 | 131.1 | 179.6 | -71 | -74.8 | 0 | 0 | 0 | 110.5 | Y424 R425 Q467 | Y372-Y424 CarbonylContact C-O 3.49Å; Y372-R425 HydrophobicContact CD1-CB 3.97Å; Y372-R425 HydrophobicContact CD1-CG 4.48Å; Y372-R425 HydrophobicContact CE1-CB 4Å; Y372-R425 HydrophobicContact CE1-CG 4.48Å; Y372-Q467 PolarHBondContact O-NE2 2.86Å; Y372-Q467 PolarHBondContact O-OE1 3.09Å | ||
| 373 | F | 89.2 | Confident | 87.3 | Confident | 10 Ų | 10 | 23.3 Ų | 23.3 | 4% | 0.044 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 126.8 | 170.7 | -179.4 | -97.9 | 0 | 0 | 0 | 109.5 | R365 P366 F367 V375 T423 Y424 P426 L436 L455 | R365-F373 HydrophobicContact CB-CE2 4.46Å; R365-F373 HydrophobicContact CB-CZ 4.26Å; P366-F373 WeakPolarHBondContact O-CE2 3.45Å; F367-F373 HydrophobicContact CB-CB 4.47Å; F367-F373 HydrophobicContact CB-CD2 3.95Å; F367-F373 HydrophobicContact CB-CG 4.33Å; F373-V375 HydrophobicContact CD1-CG2 3.82Å; F373-V375 HydrophobicContact CE1-CG2 3.8Å; F373-T423 WeakPolarHBondContact O-CA 3.47Å; F373-Y424 PolarHBondContact N-O 2.9Å; F373-Y424 PolarHBondContact O-N 3.08Å; F373-P426 HydrophobicContact CB-CG 4.21Å; F373-L436 HydrophobicContact CE1-CD1 4.45Å; F373-L455 HydrophobicContact CD1-CD1 3.72Å; F373-L455 HydrophobicContact CD1-CD2 4.34Å; F373-L455 HydrophobicContact CE1-CD1 3.7Å; F373-L455 HydrophobicContact CE1-CD2 3.5Å; F373-L455 HydrophobicContact CE1-CG 4.26Å; F373-L455 HydrophobicContact CE2-CD2 4.03Å; F373-L455 HydrophobicContact CG-CD1 4.23Å; F373-L455 HydrophobicContact CZ-CD1 4.21Å; F373-L455 HydrophobicContact CZ-CD2 3.32Å; F373-L455 HydrophobicContact CZ-CG 4.42Å |
| 374 | T | 89.9 | Confident | 87 | Confident | 37 Ų | 37 | 19.2 Ų | 19.2 | 23% | 0.227 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 113.7 | 178 | -50.2 | 0 | 0 | 0 | 0 | 110 | Y376 T423 | T374-Y376 HydrophobicContact CG2-CD1 4.4Å; T374-Y376 HydrophobicContact CG2-CD2 4.45Å; T374-Y376 HydrophobicContact CG2-CE1 3.85Å; T374-Y376 HydrophobicContact CG2-CE2 3.89Å; T374-T423 HydrophobicContact CG2-CG2 4.23Å |
| 375 | V | 89.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 127 | 170.7 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | F359 F373 L377 L397 Y422 L436 | F359-V375 HydrophobicContact CD1-CG1 3.85Å; F359-V375 HydrophobicContact CE1-CG1 3.54Å; F373-V375 HydrophobicContact CD1-CG2 3.82Å; F373-V375 HydrophobicContact CE1-CG2 3.8Å; V375-L377 HydrophobicContact CG1-CD1 4.23Å; V375-L377 HydrophobicContact CG1-CG 4.06Å; V375-L397 HydrophobicContact CB-CD2 4.49Å; V375-L397 HydrophobicContact CG1-CD2 4.22Å; V375-L397 HydrophobicContact CG2-CD2 4.43Å; V375-Y422 PolarHBondContact N-O 3.46Å; V375-Y422 PolarHBondContact O-N 3.19Å; V375-L436 HydrophobicContact CG2-CD1 4.02Å |
| 376 | Y | 90.7 | Very high | 86.2 | Confident | 15 Ų | 15 | 21.1 Ų | 21.1 | 6% | 0.059 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 117.3 | 173.6 | -64.4 | -75.7 | 0 | 0 | 0 | 109.6 | L360 T374 V419 R421 L628 L644 P645 | L360-Y376 PolarHBondContact N-O 2.63Å; T374-Y376 HydrophobicContact CG2-CD1 4.4Å; T374-Y376 HydrophobicContact CG2-CD2 4.45Å; T374-Y376 HydrophobicContact CG2-CE1 3.85Å; T374-Y376 HydrophobicContact CG2-CE2 3.89Å; Y376-V419 HydrophobicContact CD1-CG1 4.5Å; Y376-R421 HydrophobicContact CD1-CG 4.09Å; Y376-R421 HydrophobicContact CE1-CG 4.15Å; Y376-L628 HydrophobicContact CD2-CD1 3.7Å; Y376-L628 HydrophobicContact CE2-CD1 4.35Å; Y376-L628 HydrophobicContact CG-CD1 4.37Å; Y376-L644 HydrophobicContact CD1-CD1 3.77Å; Y376-L644 HydrophobicContact CE1-CB 4.48Å; Y376-L644 HydrophobicContact CE1-CD1 4.26Å; Y376-L644 HydrophobicContact CE1-CD2 4.48Å; Y376-L644 HydrophobicContact CG-CD1 4.13Å; Y376-P645 PolarHBondContact OH-O 2.96Å |
| 377 | L | 90.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.9 | 177.5 | -76 | 163.7 | 0 | 0 | 0 | 108.6 | I357 K358 F359 V375 V395 L397 V419 I420 A438 | I357-L377 HydrophobicContact CD1-CD2 4.13Å; I357-L377 HydrophobicContact CG1-CD2 4.07Å; K358-L377 WeakPolarHBondContact O-CA 3.42Å; F359-L377 HydrophobicContact CB-CD2 4.48Å; F359-L377 HydrophobicContact CD1-CD2 3.45Å; F359-L377 VanDerWaalsContact CD1-CD2 3.45Å; F359-L377 HydrophobicContact CD1-CG 4.07Å; F359-L377 HydrophobicContact CD2-CD2 3.92Å; F359-L377 HydrophobicContact CE1-CD1 4.4Å; F359-L377 HydrophobicContact CE1-CD2 3.52Å; F359-L377 HydrophobicContact CE1-CG 4.03Å; F359-L377 HydrophobicContact CE2-CD2 3.95Å; F359-L377 HydrophobicContact CG-CD2 3.67Å; F359-L377 HydrophobicContact CZ-CD2 3.78Å; V375-L377 HydrophobicContact CG1-CD1 4.23Å; V375-L377 HydrophobicContact CG1-CG 4.06Å; L377-V395 HydrophobicContact CD1-CG1 4.35Å; L377-L397 HydrophobicContact CD1-CD1 4.28Å; L377-L397 HydrophobicContact CD1-CD2 4.46Å; L377-V419 CarbonylContact O-C 3.57Å; L377-V419 WeakPolarHBondContact O-CA 3.31Å; L377-I420 HydrophobicContact CB-CB 4.06Å; L377-I420 PolarHBondContact N-O 2.94Å; L377-I420 PolarHBondContact O-N 2.94Å; L377-A438 HydrophobicContact CD1-CB 4Å; L377-A438 HydrophobicContact CD2-CB 3.6Å; L377-A438 HydrophobicContact CG-CB 4.47Å |
| 378 | V | 89.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.1 | 171.7 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | I357 K358 L360 Y380 V419 H630 W632 | I357-V378 WeakPolarHBondContact CA-O 3.41Å; K358-V378 PolarHBondContact N-O 2.64Å; K358-V378 PolarHBondContact O-N 3.04Å; L360-V378 HydrophobicContact CD1-CG2 3.53Å; L360-V378 HydrophobicContact CD2-CG2 3.86Å; L360-V378 HydrophobicContact CG-CG2 3.71Å; V378-Y380 HydrophobicContact CG1-CD1 4.22Å; V378-V419 HydrophobicContact CG2-CG2 4.23Å; V378-H630 HydrophobicContact CG2-CB 4.2Å; V378-W632 HydrophobicContact CG1-CH2 3.41Å; V378-W632 VanDerWaalsContact CG1-CH2 3.41Å; V378-W632 HydrophobicContact CG1-CZ2 3.86Å; V378-W632 HydrophobicContact CG1-CZ3 4.14Å |
| 379 | V | 87.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 116.8 | 169.2 | -173.8 | 0 | 0 | 0 | 0 | 108 | P355 L356 I357 V387 Y389 V395 I414 G418 I420 Y440 | P355-V379 HydrophobicContact CB-CG1 4.06Å; L356-V379 WeakPolarHBondContact O-CA 3.31Å; I357-V379 HydrophobicContact CD1-CG2 4.38Å; I357-V379 HydrophobicContact CG1-CG2 4.35Å; V379-V387 HydrophobicContact CG1-CG2 4.03Å; V379-Y389 WeakPolarHBondContact CG1-OH 3.47Å; V379-V395 HydrophobicContact CG2-CG2 3.98Å; V379-I414 HydrophobicContact CB-CG2 4.41Å; V379-I414 HydrophobicContact CG2-CD1 4.41Å; V379-I414 HydrophobicContact CG2-CG2 4.43Å; V379-G418 PolarHBondContact N-O 3Å; V379-G418 VanDerWaalsContact N-O 3.15Å; V379-I420 HydrophobicContact CG2-CD1 3.87Å; V379-Y440 HydrophobicContact CG1-CD2 3.79Å; V379-Y440 HydrophobicContact CG1-CE2 3.58Å; V379-Y440 HydrophobicContact CG2-CD2 4.28Å |
| 380 | Y | 85.7 | Confident | 82 | Confident | 18 Ų | 18 | 36.4 Ų | 36.4 | 7% | 0.071 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 155.4 | -176.6 | 62.3 | -74.5 | 0 | 0 | 0 | 109.7 | P355 L356 K358 V378 | P355-Y380 CarbonylContact C-O 3.33Å; P355-Y380 WeakPolarHBondContact CA-O 3.33Å; L356-Y380 HydrophobicContact CB-CD1 4.4Å; L356-Y380 HydrophobicContact CB-CD2 4.45Å; L356-Y380 HydrophobicContact CB-CE1 3.87Å; L356-Y380 HydrophobicContact CB-CE2 3.95Å; L356-Y380 HydrophobicContact CD1-CE2 3.9Å; L356-Y380 PolarHBondContact N-O 2.83Å; L356-Y380 PolarHBondContact O-N 3.13Å; K358-Y380 HydrophobicContact CB-CE1 3.68Å; V378-Y380 HydrophobicContact CG1-CD1 4.22Å |
| 381 | M | 83.4 | Confident | 80.8 | Confident | 29 Ų | 29 | 34.3 Ų | 34.3 | 14% | 0.143 | 18% | 0.184 | C | C | . | . | trans | -73.7 | 158.2 | 171.7 | -66.3 | -61.4 | -70.4 | 0 | 0 | 109.8 | T243 S353 P355 D383 G384 S385 V387 | T243-M381 HydrophobicContact CG2-CE 4.25Å; S353-M381 WeakPolarHBondContact O-CE 3.16Å; P355-M381 HydrophobicContact CB-SD 4.35Å; M381-D383 WeakPolarHBondContact CB-OD1 3.3Å; M381-D383 PolarHBondContact O-N 2.92Å; M381-G384 PolarHBondContact O-N 3.29Å; M381-S385 PolarHBondContact N-O 2.73Å; M381-V387 HydrophobicContact CG-CG2 3.92Å; M381-V387 HydrophobicContact SD-CB 4.46Å; M381-V387 HydrophobicContact SD-CG1 4.24Å; M381-V387 HydrophobicContact SD-CG2 3.83Å | ||
| 382 | A | 79.3 | Confident | 79.8 | Confident | 24 Ų | 24 | 40.7 Ų | 40.7 | 20% | 0.198 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -15.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y351 S352 L356 | Y351-A382 WeakPolarHBondContact CD1-O 3.33Å; S352-A382 WeakPolarHBondContact O-CB 3.24Å; L356-A382 HydrophobicContact CD1-CB 4.25Å |
| 383 | D | 73.8 | Confident | 79 | Confident | 15 Ų | 15 | 39.6 Ų | 39.6 | 8% | 0.08 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -0.4 | 173.8 | 60.9 | 13.1 | 0 | 0 | 0 | 114.5 | R241 Y351 M381 S385 | R241-D383 IonicContact CZ-OD2 3.15Å; R241-D383 IonicContact NE-OD2 2.67Å; R241-D383 IonicContact NH1-OD1 2.71Å; R241-D383 PolarHBondContact NH1-OD1 2.82Å; R241-D383 IonicContact NH1-OD2 2.76Å; R241-D383 PolarHBondContact NH1-OD2 2.63Å; Y351-D383 HydrophobicContact CD1-CB 3.73Å; Y351-D383 HydrophobicContact CD2-CB 3.81Å; Y351-D383 HydrophobicContact CE1-CB 3.94Å; Y351-D383 HydrophobicContact CE2-CB 4.03Å; Y351-D383 HydrophobicContact CG-CB 3.63Å; M381-D383 WeakPolarHBondContact CB-OD1 3.3Å; M381-D383 PolarHBondContact O-N 2.92Å; D383-S385 VanDerWaalsContact C-N 3.35Å; D383-S385 WeakPolarHBondContact OD1-CB 3.24Å; D383-S385 PolarHBondContact OD1-N 3.12Å; D383-S385 PolarHBondContact OD1-OG 3.07Å; D383-S385 PolarHBondContact OD2-OG 3.48Å |
| 384 | G | 78 | Confident | 78.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 84 | 4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | M381 Y633 | M381-G384 PolarHBondContact O-N 3.29Å; G384-Y633 PolarHBondContact O-N 2.83Å |
| 385 | S | 79.6 | Confident | 78.6 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | trans | -83.7 | 157.5 | 175.2 | 66.2 | 0 | 0 | 0 | 0 | 113 | R241 M381 D383 Y633 | R241-S385 PolarHBondContact NH1-OG 3.08Å; M381-S385 PolarHBondContact N-O 2.73Å; D383-S385 VanDerWaalsContact C-N 3.35Å; D383-S385 WeakPolarHBondContact OD1-CB 3.24Å; D383-S385 PolarHBondContact OD1-N 3.12Å; D383-S385 PolarHBondContact OD1-OG 3.07Å; D383-S385 PolarHBondContact OD2-OG 3.48Å; S385-Y633 WeakPolarHBondContact CB-O 3.39Å | ||
| 386 | M | 80.7 | Confident | 78.6 | Confident | 34 Ų | 34 | 42.9 Ų | 42.9 | 17% | 0.167 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -69.4 | 139.2 | 174.7 | -164.5 | -165.6 | 144.8 | 0 | 0 | 110.8 | K388 D416 W632 | M386-K388 PolarHBondContact O-N 2.77Å; M386-D416 WeakPolarHBondContact CE-O 3.39Å; M386-W632 VanDerWaalsContact CA-CZ3 3.44Å; M386-W632 HydrophobicContact CB-CD2 4.23Å; M386-W632 HydrophobicContact CB-CE3 3.69Å; M386-W632 HydrophobicContact CB-CH2 4.27Å; M386-W632 HydrophobicContact CB-CZ3 3.72Å; M386-W632 HydrophobicContact CG-CE3 4.24Å; M386-W632 HydrophobicContact CG-CH2 3.93Å; M386-W632 HydrophobicContact CG-CZ2 4.35Å; M386-W632 HydrophobicContact CG-CZ3 3.88Å |
| 387 | V | 78.4 | Confident | 78.7 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | trans | -74.6 | 114.7 | 177.2 | -171.6 | 0 | 0 | 0 | 0 | 109.7 | P355 V379 M381 Y389 | P355-V387 HydrophobicContact CB-CG2 4.2Å; V379-V387 HydrophobicContact CG1-CG2 4.03Å; M381-V387 HydrophobicContact CG-CG2 3.92Å; M381-V387 HydrophobicContact SD-CB 4.46Å; M381-V387 HydrophobicContact SD-CG1 4.24Å; M381-V387 HydrophobicContact SD-CG2 3.83Å; V387-Y389 HydrophobicContact CB-CD2 4Å; V387-Y389 HydrophobicContact CB-CE1 4.48Å; V387-Y389 HydrophobicContact CB-CE2 3.32Å; V387-Y389 HydrophobicContact CG1-CD1 4.15Å; V387-Y389 HydrophobicContact CG1-CD2 3.88Å; V387-Y389 HydrophobicContact CG1-CE1 3.66Å; V387-Y389 HydrophobicContact CG1-CE2 3.39Å; V387-Y389 HydrophobicContact CG1-CG 4.21Å; V387-Y389 WeakPolarHBondContact CG1-OH 3.33Å; V387-Y389 HydrophobicContact CG2-CE2 4.25Å; V387-Y389 WeakPolarHBondContact O-CD2 3.43Å; V387-Y389 PolarHBondContact O-N 2.82Å | ||
| 388 | K | 71 | Confident | 78.8 | Confident | 169 Ų | 169 | 42.3 Ų | 42.3 | 74% | 0.735 | 22% | 0.223 | S | C | * | . | trans | -81.9 | 105.4 | 174.8 | -63.1 | -177.7 | -179.5 | 178.7 | 0 | 108.9 | M386 | M386-K388 PolarHBondContact O-N 2.77Š| ||
| 389 | Y | 63.5 | Low | 78.9 | Confident | 71 Ų | 71 | 42.3 Ų | 42.3 | 28% | 0.278 | 22% | 0.223 | S | C | . | . | trans | -93.3 | 141.3 | -170.1 | -77.6 | -80.7 | 0 | 0 | 0 | 114.6 | V379 V387 R393 I414 Y440 | V379-Y389 WeakPolarHBondContact CG1-OH 3.47Å; V387-Y389 HydrophobicContact CB-CD2 4Å; V387-Y389 HydrophobicContact CB-CE1 4.48Å; V387-Y389 HydrophobicContact CB-CE2 3.32Å; V387-Y389 HydrophobicContact CG1-CD1 4.15Å; V387-Y389 HydrophobicContact CG1-CD2 3.88Å; V387-Y389 HydrophobicContact CG1-CE1 3.66Å; V387-Y389 HydrophobicContact CG1-CE2 3.39Å; V387-Y389 HydrophobicContact CG1-CG 4.21Å; V387-Y389 WeakPolarHBondContact CG1-OH 3.33Å; V387-Y389 HydrophobicContact CG2-CE2 4.25Å; V387-Y389 WeakPolarHBondContact O-CD2 3.43Å; V387-Y389 PolarHBondContact O-N 2.82Å; Y389-R393 HydrophobicContact CE1-CB 4.04Å; Y389-R393 HydrophobicContact CE1-CG 4.44Å; Y389-I414 HydrophobicContact CD2-CB 4.48Å; Y389-I414 HydrophobicContact CD2-CG2 4.23Å; Y389-I414 HydrophobicContact CE1-CD1 3.78Å; Y389-I414 HydrophobicContact CE2-CB 3.98Å; Y389-I414 HydrophobicContact CE2-CD1 3.9Å; Y389-I414 HydrophobicContact CE2-CG2 3.52Å; Y389-I414 WeakPolarHBondContact OH-CD1 3.38Å; Y389-Y440 WeakPolarHBondContact CE1-OH 3.26Å; Y389-Y440 VanDerWaalsContact OH-CE2 3.3Å; Y389-Y440 WeakPolarHBondContact OH-CE2 3.28Å; Y389-Y440 PolarHBondContact OH-OH 3.46Å | ||
| 390 | S | 54.8 | Low | 79.1 | Confident | 132 Ų | 132 | 43.9 Ų | 43.9 | 92% | 0.923 | 23% | 0.229 | S | C | * | . | trans | -134.8 | 21.1 | 161.9 | 94.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 391 | G | 63.4 | Low | 79.1 | Confident | 36 Ų | 36 | 43.4 Ų | 43.4 | 37% | 0.371 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -143.1 | 172.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R393 E443 | G391-R393 VanDerWaalsContact C-N 3.25Å; G391-R393 PolarHBondContact O-N 3.41Å; G391-E443 WeakPolarHBondContact CA-OE1 3.29Å |
| 392 | N | 67.9 | Low | 79 | Confident | 138 Ų | 138 | 46.3 Ų | 46.3 | 74% | 0.738 | 24% | 0.244 | S | C | * | . | trans | -84.2 | 39.6 | -169.7 | -99.6 | -6.2 | 0 | 0 | 0 | 113.9 | E443 | N392-E443 PolarHBondContact N-OE1 2.81Š| ||
| 393 | R | 70.7 | Confident | 78.7 | Confident | 83 Ų | 83 | 46.8 Ų | 46.8 | 31% | 0.313 | 24% | 0.244 | S | C | . | . | trans | -76.2 | 147.1 | -178.2 | -63.3 | -169.2 | -178.1 | 156.3 | 2.2 | 111.9 | Y389 G391 Y440 D442 E443 | Y389-R393 HydrophobicContact CE1-CB 4.04Å; Y389-R393 HydrophobicContact CE1-CG 4.44Å; G391-R393 VanDerWaalsContact C-N 3.25Å; G391-R393 PolarHBondContact O-N 3.41Å; R393-Y440 WeakPolarHBondContact CD-OH 3.3Å; R393-Y440 PolarHBondContact NH1-OH 3.43Å; R393-D442 IonicContact CZ-OD1 3.65Å; R393-D442 IonicContact NE-OD1 3.73Å; R393-D442 PolarHBondContact NE-OD1 3.03Å; R393-D442 IonicContact NH2-OD1 3.64Å; R393-E443 HydrophobicContact CG-CG 4.1Å | ||
| 394 | K | 83.4 | Confident | 78.9 | Confident | 110 Ų | 110 | 52.6 Ų | 52.6 | 48% | 0.478 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 147.4 | -168.9 | -64.8 | 178.3 | -167.7 | 173.7 | 0 | 111.6 | T411 I441 | K394-T411 HydrophobicContact CB-CG2 3.49Å; K394-T411 VanDerWaalsContact CB-CG2 3.49Å; K394-T411 HydrophobicContact CD-CG2 3.53Å; K394-T411 HydrophobicContact CG-CG2 3.91Å; K394-I441 PolarHBondContact N-O 3.06Å; K394-I441 PolarHBondContact O-N 2.79Å |
| 395 | V | 87.6 | Confident | 79.2 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.5 | 170.9 | 173.1 | 0 | 0 | 0 | 0 | 108.5 | I357 L377 V379 T411 L412 I414 I420 R439 Y440 | I357-V395 HydrophobicContact CD1-CB 4.41Å; I357-V395 HydrophobicContact CD1-CG1 3.47Å; I357-V395 VanDerWaalsContact CD1-CG1 3.47Å; I357-V395 HydrophobicContact CD1-CG2 4.01Å; L377-V395 HydrophobicContact CD1-CG1 4.35Å; V379-V395 HydrophobicContact CG2-CG2 3.98Å; V395-T411 CarbonylContact O-C 3.56Å; V395-T411 WeakPolarHBondContact O-CA 3.47Å; V395-L412 PolarHBondContact N-O 2.69Å; V395-L412 PolarHBondContact O-N 2.93Å; V395-I414 HydrophobicContact CG2-CD1 4.21Å; V395-I414 HydrophobicContact CG2-CG1 4.17Å; V395-I420 HydrophobicContact CB-CD1 3.88Å; V395-I420 HydrophobicContact CG1-CD1 4.31Å; V395-I420 HydrophobicContact CG2-CD1 3.53Å; V395-R439 CarbonylContact C-O 3.46Å; V395-R439 WeakPolarHBondContact CA-O 3.3Å; V395-Y440 HydrophobicContact CG2-CD2 3.94Å |
| 396 | T | 91.2 | Very high | 79.5 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 4% | 0.043 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 124.9 | 171 | 58.8 | 0 | 0 | 0 | 0 | 110.1 | I410 T411 A438 R439 I441 | T396-I410 CarbonylContact C-O 3.58Å; T396-I410 VanDerWaalsContact CA-O 3.32Å; T396-I410 WeakPolarHBondContact CA-O 3.26Å; T396-T411 HydrophobicContact CG2-CG2 4.07Å; T396-A438 CarbonylContact O-C 3.59Å; T396-A438 WeakPolarHBondContact O-CA 3.3Å; T396-R439 PolarHBondContact N-O 3.44Å; T396-R439 PolarHBondContact O-N 2.84Å; T396-R439 WeakPolarHBondContact OG1-CB 3.43Å; T396-I441 HydrophobicContact CG2-CD1 3.36Å; T396-I441 HydrophobicContact CG2-CG1 4.24Å |
| 397 | L | 92.9 | Very high | 79.7 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 116.2 | 175.5 | -179 | 63.5 | 0 | 0 | 0 | 108.9 | F359 V375 L377 F399 Q409 I410 L412 Y422 L436 E437 A438 | F359-L397 HydrophobicContact CE1-CD1 4.03Å; F359-L397 HydrophobicContact CZ-CD1 3.73Å; V375-L397 HydrophobicContact CB-CD2 4.49Å; V375-L397 HydrophobicContact CG1-CD2 4.22Å; V375-L397 HydrophobicContact CG2-CD2 4.43Å; L377-L397 HydrophobicContact CD1-CD1 4.28Å; L377-L397 HydrophobicContact CD1-CD2 4.46Å; L397-F399 HydrophobicContact CB-CE2 4.42Å; L397-F399 HydrophobicContact CD2-CE1 4.48Å; L397-F399 HydrophobicContact CD2-CE2 3.81Å; L397-F399 HydrophobicContact CD2-CZ 3.49Å; L397-F399 VanDerWaalsContact CD2-CZ 3.49Å; L397-F399 HydrophobicContact CG-CD2 4.5Å; L397-F399 HydrophobicContact CG-CE2 3.69Å; L397-F399 HydrophobicContact CG-CZ 3.81Å; L397-Q409 CarbonylContact O-C 3.47Å; L397-Q409 WeakPolarHBondContact O-CA 3.09Å; L397-I410 HydrophobicContact CB-CG2 4Å; L397-I410 PolarHBondContact N-O 2.84Å; L397-I410 PolarHBondContact O-N 2.93Å; L397-L412 HydrophobicContact CB-CD1 4.37Å; L397-L412 HydrophobicContact CD2-CD1 4.31Å; L397-Y422 HydrophobicContact CD2-CD1 3.76Å; L397-Y422 HydrophobicContact CD2-CE1 4.49Å; L397-Y422 HydrophobicContact CD2-CG 4.35Å; L397-L436 HydrophobicContact CD1-CB 4.32Å; L397-E437 WeakPolarHBondContact CA-O 3.48Å; L397-A438 HydrophobicContact CD1-CB 4.1Å |
| 398 | S | 92.9 | Very high | 80.1 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.014 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 139.8 | 179 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | K408 L436 E437 | S398-K408 CarbonylContact C-O 3.57Å; S398-K408 WeakPolarHBondContact CA-O 3.49Å; S398-L436 CarbonylContact O-C 3.53Å; S398-L436 WeakPolarHBondContact O-CA 3.44Å; S398-E437 PolarHBondContact N-O 2.88Å; S398-E437 PolarHBondContact O-N 2.9Å |
| 399 | F | 91.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 125.8 | -179 | -62 | -103.1 | 0 | 0 | 0 | 108.7 | L397 E407 K408 I410 Y422 Y424 L436 | L397-F399 HydrophobicContact CB-CE2 4.42Å; L397-F399 HydrophobicContact CD2-CE1 4.48Å; L397-F399 HydrophobicContact CD2-CE2 3.81Å; L397-F399 HydrophobicContact CD2-CZ 3.49Å; L397-F399 VanDerWaalsContact CD2-CZ 3.49Å; L397-F399 HydrophobicContact CG-CD2 4.5Å; L397-F399 HydrophobicContact CG-CE2 3.69Å; L397-F399 HydrophobicContact CG-CZ 3.81Å; F399-E407 HydrophobicContact CB-CB 4.49Å; F399-E407 PolarHBondContact O-N 2.99Å; F399-K408 HydrophobicContact CB-CB 4.37Å; F399-K408 HydrophobicContact CD2-CB 4.14Å; F399-K408 WeakPolarHBondContact CD2-O 3.16Å; F399-K408 PolarHBondContact N-O 2.95Å; F399-K408 PolarHBondContact O-N 2.92Å; F399-I410 HydrophobicContact CE2-CG2 4.26Å; F399-Y422 HydrophobicContact CE2-CD1 4.45Å; F399-Y422 AromaticContact CE2-CE1 3.95Å; F399-Y422 HydrophobicContact CE2-CE1 3.95Å; F399-Y422 AromaticContact CZ-CD1 3.8Å; F399-Y422 HydrophobicContact CZ-CD1 3.8Å; F399-Y422 AromaticContact CZ-CE1 3.54Å; F399-Y422 HydrophobicContact CZ-CE1 3.54Å; F399-Y424 AromaticContact CD1-CD1 3.59Å; F399-Y424 HydrophobicContact CD1-CD1 3.59Å; F399-Y424 HydrophobicContact CD1-CD2 4.18Å; F399-Y424 AromaticContact CD1-CE1 3.63Å; F399-Y424 HydrophobicContact CD1-CE1 3.63Å; F399-Y424 HydrophobicContact CD1-CE2 4.24Å; F399-Y424 AromaticContact CD1-CG 3.9Å; F399-Y424 HydrophobicContact CD1-CG 3.9Å; F399-Y424 AromaticContact CD1-CZ 4Å; F399-Y424 AromaticContact CE1-CD1 3.3Å; F399-Y424 HydrophobicContact CE1-CD1 3.3Å; F399-Y424 AromaticContact CE1-CD2 3.81Å; F399-Y424 HydrophobicContact CE1-CD2 3.81Å; F399-Y424 AromaticContact CE1-CE1 3.86Å; F399-Y424 HydrophobicContact CE1-CE1 3.86Å; F399-Y424 HydrophobicContact CE1-CE2 4.33Å; F399-Y424 AromaticContact CE1-CG 3.29Å; F399-Y424 HydrophobicContact CE1-CG 3.29Å; F399-Y424 HydrophobicContact CZ-CD1 4.25Å; F399-Y424 HydrophobicContact CZ-CD2 4.03Å; F399-Y424 AromaticContact CZ-CG 3.79Å; F399-Y424 HydrophobicContact CZ-CG 3.79Å; F399-L436 HydrophobicContact CD1-CD2 3.14Å; F399-L436 HydrophobicContact CE1-CD2 3.08Å; F399-L436 HydrophobicContact CG-CD2 3.97Å; F399-L436 HydrophobicContact CZ-CD2 3.89Å |
| 400 | Y | 90.9 | Very high | 82.3 | Confident | 33 Ų | 33 | 61.7 Ų | 61.7 | 13% | 0.129 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 126.7 | 174.7 | -52.6 | -94.6 | 0 | 0 | 0 | 110 | T405 F406 Y434 R435 E437 | Y400-T405 CarbonylContact C-O 3.54Å; Y400-T405 WeakPolarHBondContact CA-O 3.49Å; Y400-F406 HydrophobicContact CD1-CB 4.03Å; Y400-F406 HydrophobicContact CD1-CD2 4.25Å; Y400-F406 HydrophobicContact CE1-CB 4.16Å; Y400-F406 AromaticContact CE1-CD2 3.87Å; Y400-F406 HydrophobicContact CE1-CD2 3.87Å; Y400-Y434 CarbonylContact O-C 3.59Å; Y400-Y434 VanDerWaalsContact O-CA 3.27Å; Y400-Y434 WeakPolarHBondContact O-CA 3.41Å; Y400-R435 VanDerWaalsContact CD2-NH2 3.3Å; Y400-R435 WeakPolarHBondContact CD2-O 3.23Å; Y400-R435 VanDerWaalsContact CG-NH2 3.31Å; Y400-R435 PolarHBondContact N-O 3.31Å; Y400-R435 PolarHBondContact O-N 3.16Å; Y400-E437 HydrophobicContact CE2-CB 3.9Å; Y400-E437 WeakPolarHBondContact CE2-OE2 3.42Å; Y400-E437 PolarHBondContact OH-OE2 2.75Å |
| 401 | C | 87 | Confident | 83.9 | Confident | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.054 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 145.6 | 172.2 | 165.5 | 0 | 0 | 0 | 0 | 111 | D403 N404 T405 C431 Y434 | C401-D403 PolarHBondContact O-N 2.83Å; C401-N404 PolarHBondContact O-N 2.97Å; C401-T405 VanDerWaalsContact C-OG1 3.26Å; C401-T405 VanDerWaalsContact CB-OG1 3.24Å; C401-T405 WeakPolarHBondContact CB-OG1 3.32Å; C401-T405 PolarHBondContact N-O 2.76Å; C401-T405 WeakPolarHBondContact O-CB 3.11Å; C401-T405 PolarHBondContact O-N 2.83Å; C401-T405 PolarHBondContact O-OG1 2.83Å; C401-C431 HydrophobicContact CB-CB 3.99Å; C401-C431 WeakPolarHBondContact CB-SG 3.49Å; C401-C431 VanDerWaalsContact SG-CA 3.53Å; C401-C431 WeakPolarHBondContact SG-CB 3.36Å; C401-C431 CovalentContact SG-SG 2.02Å; C401-C431 PolarHBondContact SG-SG 2.8Å; C401-Y434 HydrophobicContact CB-CD1 4.2Å; C401-Y434 HydrophobicContact CB-CE1 3.82Å |
| 402 | L | 80.9 | Confident | 85 | Confident | 90 Ų | 90 | 58.1 Ų | 58.1 | 47% | 0.471 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 43.3 | -178 | -62.8 | 167.5 | 0 | 0 | 0 | 111.9 | N404 T433 | L402-N404 PolarHBondContact O-N 3.42Å; L402-T433 PolarHBondContact N-O 3.09Å |
| 403 | D | 72.2 | Confident | 85.8 | Confident | 35 Ų | 35 | 56.3 Ų | 56.3 | 19% | 0.187 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | -29 | -173.1 | -76.4 | -52.8 | 0 | 0 | 0 | 117.5 | C401 R435 R454 | C401-D403 PolarHBondContact O-N 2.83Å; D403-R435 PolarHBondContact O-NE 2.77Å; D403-R435 PolarHBondContact O-NH2 2.88Å; D403-R454 IonicContact OD1-NE 3.31Å; D403-R454 PolarHBondContact OD1-NE 3.29Å |
| 404 | N | 78.8 | Confident | 86.3 | Confident | 137 Ų | 137 | 53.6 Ų | 53.6 | 73% | 0.733 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.4 | -23.8 | -165.9 | -70.3 | -18.1 | 0 | 0 | 0 | 115 | C401 L402 F406 | C401-N404 PolarHBondContact O-N 2.97Å; L402-N404 PolarHBondContact O-N 3.42Å; N404-F406 PolarHBondContact O-N 2.87Å |
| 405 | T | 84.4 | Confident | 86.1 | Confident | 75 Ų | 75 | 50.8 Ų | 50.8 | 46% | 0.46 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 110.8 | -175.2 | 62.1 | 0 | 0 | 0 | 0 | 110.8 | Y400 C401 E407 | Y400-T405 CarbonylContact C-O 3.54Å; Y400-T405 WeakPolarHBondContact CA-O 3.49Å; C401-T405 VanDerWaalsContact C-OG1 3.26Å; C401-T405 VanDerWaalsContact CB-OG1 3.24Å; C401-T405 WeakPolarHBondContact CB-OG1 3.32Å; C401-T405 PolarHBondContact N-O 2.76Å; C401-T405 WeakPolarHBondContact O-CB 3.11Å; C401-T405 PolarHBondContact O-N 2.83Å; C401-T405 PolarHBondContact O-OG1 2.83Å; T405-E407 PolarHBondContact O-N 3.45Å |
| 406 | F | 85.9 | Confident | 85.6 | Confident | 117 Ų | 117 | 58.3 Ų | 58.3 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 128.8 | 178.1 | 177.2 | -94.2 | 0 | 0 | 0 | 111.1 | Y400 N404 Q409 | Y400-F406 HydrophobicContact CD1-CB 4.03Å; Y400-F406 HydrophobicContact CD1-CD2 4.25Å; Y400-F406 HydrophobicContact CE1-CB 4.16Å; Y400-F406 AromaticContact CE1-CD2 3.87Å; Y400-F406 HydrophobicContact CE1-CD2 3.87Å; N404-F406 PolarHBondContact O-N 2.87Å; F406-Q409 HydrophobicContact CE2-CB 3.85Å; F406-Q409 HydrophobicContact CZ-CB 3.61Å |
| 407 | E | 83.8 | Confident | 84.9 | Confident | 65 Ų | 65 | 60.2 Ų | 60.2 | 30% | 0.304 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | -50.4 | -179.5 | -172.3 | -169.3 | -169.4 | 0 | 0 | 111.9 | F399 T405 Y424 S427 Y434 | F399-E407 HydrophobicContact CB-CB 4.49Å; F399-E407 PolarHBondContact O-N 2.99Å; T405-E407 PolarHBondContact O-N 3.45Å; E407-Y424 PolarHBondContact OE1-OH 2.86Å; E407-Y424 PolarHBondContact OE2-OH 3Å; E407-S427 PolarHBondContact OE1-OG 2.77Å; E407-Y434 WeakPolarHBondContact OE2-CE1 3.27Å |
| 408 | K | 87 | Confident | 84.3 | Confident | 86 Ų | 86 | 60.3 Ų | 60.3 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 149 | -173 | -169 | 176.2 | -177.2 | -176.1 | 0 | 111 | S398 F399 Y422 Y424 | S398-K408 CarbonylContact C-O 3.57Å; S398-K408 WeakPolarHBondContact CA-O 3.49Å; F399-K408 HydrophobicContact CB-CB 4.37Å; F399-K408 HydrophobicContact CD2-CB 4.14Å; F399-K408 WeakPolarHBondContact CD2-O 3.16Å; F399-K408 PolarHBondContact N-O 2.95Å; F399-K408 PolarHBondContact O-N 2.92Å; K408-Y422 PolarHBondContact NZ-OH 2.94Å; K408-Y424 HydrophobicContact CD-CE2 4.2Å |
| 409 | Q | 89.6 | Confident | 83.9 | Confident | 99 Ų | 99 | 60.2 Ų | 60.2 | 46% | 0.463 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 139.7 | 165.2 | -177.5 | 177.4 | 7.2 | 0 | 0 | 108.9 | L397 F406 | L397-Q409 CarbonylContact O-C 3.47Å; L397-Q409 WeakPolarHBondContact O-CA 3.09Å; F406-Q409 HydrophobicContact CE2-CB 3.85Å; F406-Q409 HydrophobicContact CZ-CB 3.61Å |
| 410 | I | 91.2 | Very high | 83.8 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 22% | 0.221 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146.1 | 174.1 | -167.5 | 163.6 | 0 | 0 | 0 | 110.5 | T396 L397 F399 L412 Y422 | T396-I410 CarbonylContact C-O 3.58Å; T396-I410 VanDerWaalsContact CA-O 3.32Å; T396-I410 WeakPolarHBondContact CA-O 3.26Å; L397-I410 HydrophobicContact CB-CG2 4Å; L397-I410 PolarHBondContact N-O 2.84Å; L397-I410 PolarHBondContact O-N 2.93Å; F399-I410 HydrophobicContact CE2-CG2 4.26Å; I410-L412 HydrophobicContact CD1-CD2 4.11Å; I410-L412 HydrophobicContact CG1-CD2 4.14Å; I410-L412 HydrophobicContact CG2-CD1 4.39Å; I410-L412 HydrophobicContact CG2-CD2 4.2Å; I410-L412 HydrophobicContact CG2-CG 4.13Å; I410-Y422 HydrophobicContact CD1-CD2 4.4Å; I410-Y422 HydrophobicContact CD1-CE2 3.48Å; I410-Y422 VanDerWaalsContact CD1-CE2 3.48Å; I410-Y422 WeakPolarHBondContact CD1-OH 3.44Å; I410-Y422 HydrophobicContact CG2-CD1 4.45Å; I410-Y422 HydrophobicContact CG2-CE1 4.03Å; I410-Y422 HydrophobicContact CG2-CE2 4.31Å |
| 411 | T | 88.2 | Confident | 83.7 | Confident | 75 Ų | 75 | 63 Ų | 63 | 46% | 0.46 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118.4 | 176.3 | -50.2 | 0 | 0 | 0 | 0 | 108.9 | K394 V395 T396 | K394-T411 HydrophobicContact CB-CG2 3.49Å; K394-T411 VanDerWaalsContact CB-CG2 3.49Å; K394-T411 HydrophobicContact CD-CG2 3.53Å; K394-T411 HydrophobicContact CG-CG2 3.91Å; V395-T411 CarbonylContact O-C 3.56Å; V395-T411 WeakPolarHBondContact O-CA 3.47Å; T396-T411 HydrophobicContact CG2-CG2 4.07Å |
| 412 | L | 87 | Confident | 83.9 | Confident | 17 Ų | 17 | 64.1 Ų | 64.1 | 9% | 0.089 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 137.7 | -173.1 | -60.3 | 170.8 | 0 | 0 | 0 | 110.6 | V395 L397 I410 I420 Y422 | V395-L412 PolarHBondContact N-O 2.69Å; V395-L412 PolarHBondContact O-N 2.93Å; L397-L412 HydrophobicContact CB-CD1 4.37Å; L397-L412 HydrophobicContact CD2-CD1 4.31Å; I410-L412 HydrophobicContact CD1-CD2 4.11Å; I410-L412 HydrophobicContact CG1-CD2 4.14Å; I410-L412 HydrophobicContact CG2-CD1 4.39Å; I410-L412 HydrophobicContact CG2-CD2 4.2Å; I410-L412 HydrophobicContact CG2-CG 4.13Å; L412-I420 HydrophobicContact CB-CG2 4Å; L412-I420 HydrophobicContact CD1-CG2 3.69Å; L412-I420 HydrophobicContact CG-CG2 4.43Å; L412-Y422 HydrophobicContact CD1-CD2 4.26Å; L412-Y422 HydrophobicContact CD1-CG 4.02Å; L412-Y422 HydrophobicContact CD2-CD2 3.63Å; L412-Y422 HydrophobicContact CD2-CE2 4.17Å; L412-Y422 HydrophobicContact CD2-CG 4.24Å |
| 413 | P | 85.2 | Confident | 84.3 | Confident | 100 Ų | 100 | 63.8 Ų | 63.8 | 65% | 0.649 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 159.4 | 166.4 | 32.9 | -34 | 0 | 0 | 0 | 110.3 | ||
| 414 | I | 80 | Confident | 85 | Confident | 26 Ų | 26 | 62.6 Ų | 62.6 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -95.8 | 123.9 | -179.3 | -50.2 | 177.6 | 0 | 0 | 0 | 108.4 | V379 Y389 V395 I420 Y440 | V379-I414 HydrophobicContact CB-CG2 4.41Å; V379-I414 HydrophobicContact CG2-CD1 4.41Å; V379-I414 HydrophobicContact CG2-CG2 4.43Å; Y389-I414 HydrophobicContact CD2-CB 4.48Å; Y389-I414 HydrophobicContact CD2-CG2 4.23Å; Y389-I414 HydrophobicContact CE1-CD1 3.78Å; Y389-I414 HydrophobicContact CE2-CB 3.98Å; Y389-I414 HydrophobicContact CE2-CD1 3.9Å; Y389-I414 HydrophobicContact CE2-CG2 3.52Å; Y389-I414 WeakPolarHBondContact OH-CD1 3.38Å; V395-I414 HydrophobicContact CG2-CD1 4.21Å; V395-I414 HydrophobicContact CG2-CG1 4.17Å; I414-I420 HydrophobicContact CB-CD1 4.48Å; I414-I420 HydrophobicContact CG1-CD1 4.07Å; I414-I420 HydrophobicContact CG2-CD1 4.43Å; I414-I420 HydrophobicContact CG2-CG1 4.4Å; I414-Y440 HydrophobicContact CD1-CD2 4.26Å; I414-Y440 HydrophobicContact CD1-CE2 3.46Å; I414-Y440 VanDerWaalsContact CD1-CE2 3.46Å |
| 415 | S | 79.9 | Confident | 85.5 | Confident | 51 Ų | 51 | 62.1 Ų | 62.1 | 36% | 0.357 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -73 | 154.9 | -178.2 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | D417 G418 | S415-D417 WeakPolarHBondContact CB-OD1 3.45Å; S415-D417 PolarHBondContact O-N 2.85Å; S415-D417 VanDerWaalsContact O-N 3.14Å; S415-G418 PolarHBondContact O-N 2.86Å |
| 416 | D | 77.9 | Confident | 85.5 | Confident | 159 Ų | 159 | 58.6 Ų | 58.6 | 85% | 0.85 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -8.9 | 179.5 | -65.4 | -19.5 | 0 | 0 | 0 | 114.6 | M386 | M386-D416 WeakPolarHBondContact CE-O 3.39Š|
| 417 | D | 76.4 | Confident | 84.9 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 25% | 0.251 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 0.7 | 171.7 | 64.7 | -11.3 | 0 | 0 | 0 | 112.4 | S415 V419 R421 W632 | S415-D417 WeakPolarHBondContact CB-OD1 3.45Å; S415-D417 PolarHBondContact O-N 2.85Å; S415-D417 VanDerWaalsContact O-N 3.14Å; D417-V419 PolarHBondContact O-N 3.03Å; D417-V419 PolarHBondContact OD1-N 2.81Å; D417-V419 VanDerWaalsContact OD1-N 3.12Å; D417-R421 IonicContact OD2-CZ 2.77Å; D417-R421 IonicContact OD2-NE 3.79Å; D417-R421 IonicContact OD2-NH2 3.64Å; D417-R421 PolarHBondContact OD2-NH2 2.83Å; D417-W632 WeakPolarHBondContact O-CZ2 3.45Å |
| 418 | G | 79.4 | Confident | 84.2 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 74.8 | -0.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V379 S415 | V379-G418 PolarHBondContact N-O 3Å; V379-G418 VanDerWaalsContact N-O 3.15Å; S415-G418 PolarHBondContact O-N 2.86Å |
| 419 | V | 85.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 108.2 | -176.7 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | Y376 L377 V378 D417 R421 W632 I642 L644 | Y376-V419 HydrophobicContact CD1-CG1 4.5Å; L377-V419 CarbonylContact O-C 3.57Å; L377-V419 WeakPolarHBondContact O-CA 3.31Å; V378-V419 HydrophobicContact CG2-CG2 4.23Å; D417-V419 PolarHBondContact O-N 3.03Å; D417-V419 PolarHBondContact OD1-N 2.81Å; D417-V419 VanDerWaalsContact OD1-N 3.12Å; V419-R421 HydrophobicContact CG1-CG 4.22Å; V419-W632 HydrophobicContact CG2-CZ2 4.14Å; V419-I642 HydrophobicContact CG2-CD1 4.44Å; V419-L644 HydrophobicContact CG1-CD1 3.91Å; V419-L644 HydrophobicContact CG1-CD2 4.48Å |
| 420 | I | 88.3 | Confident | 82.5 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 125.6 | 175.5 | -55.8 | 171.5 | 0 | 0 | 0 | 108.6 | L377 V379 V395 L412 I414 | L377-I420 HydrophobicContact CB-CB 4.06Å; L377-I420 PolarHBondContact N-O 2.94Å; L377-I420 PolarHBondContact O-N 2.94Å; V379-I420 HydrophobicContact CG2-CD1 3.87Å; V395-I420 HydrophobicContact CB-CD1 3.88Å; V395-I420 HydrophobicContact CG1-CD1 4.31Å; V395-I420 HydrophobicContact CG2-CD1 3.53Å; L412-I420 HydrophobicContact CB-CG2 4Å; L412-I420 HydrophobicContact CD1-CG2 3.69Å; L412-I420 HydrophobicContact CG-CG2 4.43Å; I414-I420 HydrophobicContact CB-CD1 4.48Å; I414-I420 HydrophobicContact CG1-CD1 4.07Å; I414-I420 HydrophobicContact CG2-CD1 4.43Å; I414-I420 HydrophobicContact CG2-CG1 4.4Å |
| 421 | R | 88.9 | Confident | 81.9 | Confident | 87 Ų | 87 | 54 Ų | 54 | 33% | 0.328 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 116.2 | -179.4 | -52.4 | 175.9 | -161 | -174.9 | 4.4 | 108.1 | Y376 D417 V419 F473 | Y376-R421 HydrophobicContact CD1-CG 4.09Å; Y376-R421 HydrophobicContact CE1-CG 4.15Å; D417-R421 IonicContact OD2-CZ 2.77Å; D417-R421 IonicContact OD2-NE 3.79Å; D417-R421 IonicContact OD2-NH2 3.64Å; D417-R421 PolarHBondContact OD2-NH2 2.83Å; V419-R421 HydrophobicContact CG1-CG 4.22Å; R421-F473 VanDerWaalsContact NH1-CD1 3.33Å |
| 422 | Y | 90.5 | Very high | 81.4 | Confident | 31 Ų | 31 | 54.2 Ų | 54.2 | 12% | 0.122 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 120.4 | 177.3 | -175.6 | -112 | 0 | 0 | 0 | 110.9 | V375 L397 F399 K408 I410 L412 Y424 | V375-Y422 PolarHBondContact N-O 3.46Å; V375-Y422 PolarHBondContact O-N 3.19Å; L397-Y422 HydrophobicContact CD2-CD1 3.76Å; L397-Y422 HydrophobicContact CD2-CE1 4.49Å; L397-Y422 HydrophobicContact CD2-CG 4.35Å; F399-Y422 HydrophobicContact CE2-CD1 4.45Å; F399-Y422 AromaticContact CE2-CE1 3.95Å; F399-Y422 HydrophobicContact CE2-CE1 3.95Å; F399-Y422 AromaticContact CZ-CD1 3.8Å; F399-Y422 HydrophobicContact CZ-CD1 3.8Å; F399-Y422 AromaticContact CZ-CE1 3.54Å; F399-Y422 HydrophobicContact CZ-CE1 3.54Å; K408-Y422 PolarHBondContact NZ-OH 2.94Å; I410-Y422 HydrophobicContact CD1-CD2 4.4Å; I410-Y422 HydrophobicContact CD1-CE2 3.48Å; I410-Y422 VanDerWaalsContact CD1-CE2 3.48Å; I410-Y422 WeakPolarHBondContact CD1-OH 3.44Å; I410-Y422 HydrophobicContact CG2-CD1 4.45Å; I410-Y422 HydrophobicContact CG2-CE1 4.03Å; I410-Y422 HydrophobicContact CG2-CE2 4.31Å; L412-Y422 HydrophobicContact CD1-CD2 4.26Å; L412-Y422 HydrophobicContact CD1-CG 4.02Å; L412-Y422 HydrophobicContact CD2-CD2 3.63Å; L412-Y422 HydrophobicContact CD2-CE2 4.17Å; L412-Y422 HydrophobicContact CD2-CG 4.24Å; Y422-Y424 HydrophobicContact CE1-CD2 4.28Å; Y422-Y424 HydrophobicContact CE1-CG 4.38Å |
| 423 | T | 89.3 | Confident | 81.4 | Confident | 83 Ų | 83 | 54.3 Ų | 54.3 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 114.8 | 172.9 | 48.7 | 0 | 0 | 0 | 0 | 109.1 | F373 T374 | F373-T423 WeakPolarHBondContact O-CA 3.47Å; T374-T423 HydrophobicContact CG2-CG2 4.23Å |
| 424 | Y | 88.9 | Confident | 81.6 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 4% | 0.043 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 147.1 | 176.1 | 175.4 | -114.6 | 0 | 0 | 0 | 108.9 | Y372 F373 F399 E407 K408 Y422 P426 | Y372-Y424 CarbonylContact C-O 3.49Å; F373-Y424 PolarHBondContact N-O 2.9Å; F373-Y424 PolarHBondContact O-N 3.08Å; F399-Y424 AromaticContact CD1-CD1 3.59Å; F399-Y424 HydrophobicContact CD1-CD1 3.59Å; F399-Y424 HydrophobicContact CD1-CD2 4.18Å; F399-Y424 AromaticContact CD1-CE1 3.63Å; F399-Y424 HydrophobicContact CD1-CE1 3.63Å; F399-Y424 HydrophobicContact CD1-CE2 4.24Å; F399-Y424 AromaticContact CD1-CG 3.9Å; F399-Y424 HydrophobicContact CD1-CG 3.9Å; F399-Y424 AromaticContact CD1-CZ 4Å; F399-Y424 AromaticContact CE1-CD1 3.3Å; F399-Y424 HydrophobicContact CE1-CD1 3.3Å; F399-Y424 AromaticContact CE1-CD2 3.81Å; F399-Y424 HydrophobicContact CE1-CD2 3.81Å; F399-Y424 AromaticContact CE1-CE1 3.86Å; F399-Y424 HydrophobicContact CE1-CE1 3.86Å; F399-Y424 HydrophobicContact CE1-CE2 4.33Å; F399-Y424 AromaticContact CE1-CG 3.29Å; F399-Y424 HydrophobicContact CE1-CG 3.29Å; F399-Y424 HydrophobicContact CZ-CD1 4.25Å; F399-Y424 HydrophobicContact CZ-CD2 4.03Å; F399-Y424 AromaticContact CZ-CG 3.79Å; F399-Y424 HydrophobicContact CZ-CG 3.79Å; E407-Y424 PolarHBondContact OE1-OH 2.86Å; E407-Y424 PolarHBondContact OE2-OH 3Å; K408-Y424 HydrophobicContact CD-CE2 4.2Å; Y422-Y424 HydrophobicContact CE1-CD2 4.28Å; Y422-Y424 HydrophobicContact CE1-CG 4.38Å; Y424-P426 HydrophobicContact CD1-CB 4.38Å; Y424-P426 HydrophobicContact CD1-CG 3.78Å; Y424-P426 VanDerWaalsContact CE1-CA 3.42Å; Y424-P426 HydrophobicContact CE1-CB 3.83Å; Y424-P426 HydrophobicContact CE1-CG 3.74Å; Y424-P426 WeakPolarHBondContact O-CD 3.35Å |
| 425 | R | 88.8 | Confident | 82.1 | Confident | 127 Ų | 127 | 50.3 Ų | 50.3 | 48% | 0.479 | 28% | 0.281 | S | S | . | . | trans | -113.1 | 97 | 176.5 | -172 | 179 | -174 | -178.7 | -0.8 | 107.9 | N370 Y372 S427 | N370-R425 VanDerWaalsContact O-CZ 3.3Å; N370-R425 PolarHBondContact O-NE 3.38Å; N370-R425 PolarHBondContact O-NH2 2.9Å; Y372-R425 HydrophobicContact CD1-CB 3.97Å; Y372-R425 HydrophobicContact CD1-CG 4.48Å; Y372-R425 HydrophobicContact CE1-CB 4Å; Y372-R425 HydrophobicContact CE1-CG 4.48Å; R425-S427 PolarHBondContact O-N 2.66Å | ||
| 426 | P | 83.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -61.8 | 130.2 | -179.1 | -20.1 | 32.9 | 0 | 0 | 0 | 111.5 | F367 N370 M371 F373 Y424 G428 Y434 | F367-P426 HydrophobicContact CB-CG 4.46Å; F367-P426 HydrophobicContact CD2-CB 3.58Å; F367-P426 HydrophobicContact CD2-CG 3.58Å; F367-P426 HydrophobicContact CE2-CB 3.55Å; F367-P426 HydrophobicContact CE2-CG 4.11Å; F367-P426 HydrophobicContact CG-CB 4.46Å; F367-P426 HydrophobicContact CG-CG 4.17Å; F367-P426 HydrophobicContact CZ-CB 4.41Å; N370-P426 PolarHBondContact N-O 2.91Å; N370-P426 VanDerWaalsContact N-O 3.17Å; M371-P426 WeakPolarHBondContact O-CD 3.38Å; F373-P426 HydrophobicContact CB-CG 4.21Å; Y424-P426 HydrophobicContact CD1-CB 4.38Å; Y424-P426 HydrophobicContact CD1-CG 3.78Å; Y424-P426 VanDerWaalsContact CE1-CA 3.42Å; Y424-P426 HydrophobicContact CE1-CB 3.83Å; Y424-P426 HydrophobicContact CE1-CG 3.74Å; Y424-P426 WeakPolarHBondContact O-CD 3.35Å; P426-G428 PolarHBondContact O-N 3.09Å; P426-Y434 HydrophobicContact CB-CD2 4.19Å; P426-Y434 HydrophobicContact CB-CE2 3.54Å | ||
| 427 | S | 74.7 | Confident | 83.4 | Confident | 53 Ų | 53 | 41.3 Ų | 41.3 | 37% | 0.371 | 23% | 0.229 | S | C | . | . | trans | -65.1 | 123.4 | 176.5 | -50.2 | 0 | 0 | 0 | 0 | 109.3 | E407 R425 D429 Y434 | E407-S427 PolarHBondContact OE1-OG 2.77Å; R425-S427 PolarHBondContact O-N 2.66Å; S427-D429 PolarHBondContact O-N 2.91Å; S427-Y434 PolarHBondContact N-OH 2.75Å; S427-Y434 PolarHBondContact O-OH 3.21Å | ||
| 428 | G | 67.3 | Low | 84.2 | Confident | 29 Ų | 29 | 39 Ų | 39 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | trans | -72.9 | -4.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | N370 P426 G430 | N370-G428 PolarHBondContact OD1-N 3.18Å; P426-G428 PolarHBondContact O-N 3.09Å; G428-G430 PolarHBondContact O-N 2.83Å | ||
| 429 | D | 67.6 | Low | 84.8 | Confident | 147 Ų | 147 | 42.5 Ų | 42.5 | 79% | 0.786 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -84.4 | 94.4 | -174 | -71.5 | -17.8 | 0 | 0 | 0 | 111.4 | S427 C431 | S427-D429 PolarHBondContact O-N 2.91Å; D429-C431 VanDerWaalsContact C-N 3.26Å; D429-C431 PolarHBondContact O-N 2.81Å; D429-C431 VanDerWaalsContact O-N 3.13Å |
| 430 | G | 73.2 | Confident | 84.9 | Confident | 63 Ų | 63 | 42.5 Ų | 42.5 | 65% | 0.649 | 23% | 0.229 | S | C | * | . | S | Bend | trans | 77.5 | -10.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | G428 I432 | G428-G430 PolarHBondContact O-N 2.83Å; G430-I432 PolarHBondContact O-N 2.88Å |
| 431 | C | 78.4 | Confident | 84.7 | Confident | 21 Ų | 21 | 43.5 Ų | 43.5 | 14% | 0.142 | 24% | 0.235 | C | C | . | . | trans | -87.8 | 101.5 | 179.5 | -63.5 | 0 | 0 | 0 | 0 | 112 | C401 D429 Y434 | C401-C431 HydrophobicContact CB-CB 3.99Å; C401-C431 WeakPolarHBondContact CB-SG 3.49Å; C401-C431 VanDerWaalsContact SG-CA 3.53Å; C401-C431 WeakPolarHBondContact SG-CB 3.36Å; C401-C431 CovalentContact SG-SG 2.02Å; C401-C431 PolarHBondContact SG-SG 2.8Å; D429-C431 VanDerWaalsContact C-N 3.26Å; D429-C431 PolarHBondContact O-N 2.81Å; D429-C431 VanDerWaalsContact O-N 3.13Å; C431-Y434 HydrophobicContact CB-CE1 4.11Å; C431-Y434 HydrophobicContact CB-CE2 3.75Å | ||
| 432 | I | 79.5 | Confident | 84.1 | Confident | 80 Ų | 80 | 41 Ų | 41 | 41% | 0.41 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -81.6 | -36.9 | 176.6 | -56.4 | 172.6 | 0 | 0 | 0 | 111.1 | G430 F456 A457 | G430-I432 PolarHBondContact O-N 2.88Å; I432-F456 WeakPolarHBondContact O-CA 3.31Å; I432-A457 PolarHBondContact O-N 3.01Å |
| 433 | T | 85.8 | Confident | 83.4 | Confident | 19 Ų | 19 | 45.5 Ų | 45.5 | 12% | 0.117 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 143.3 | 179.9 | 59.2 | 0 | 0 | 0 | 0 | 110.8 | L402 L455 | L402-T433 PolarHBondContact N-O 3.09Å; T433-L455 CarbonylContact C-O 3.36Å; T433-L455 VanDerWaalsContact CA-O 3.23Å; T433-L455 WeakPolarHBondContact CA-O 3.06Å |
| 434 | Y | 89 | Confident | 82.9 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 140.9 | 170.8 | -77.8 | -76.7 | 0 | 0 | 0 | 110.2 | F367 Y400 C401 E407 P426 S427 C431 R454 L455 | F367-Y434 HydrophobicContact CD1-CD2 4.29Å; F367-Y434 AromaticContact CE1-CD2 3.65Å; F367-Y434 HydrophobicContact CE1-CD2 3.65Å; F367-Y434 HydrophobicContact CE1-CE2 4.15Å; F367-Y434 HydrophobicContact CE2-CD2 4.22Å; F367-Y434 AromaticContact CE2-CE2 3.96Å; F367-Y434 HydrophobicContact CE2-CE2 3.96Å; F367-Y434 AromaticContact CZ-CD2 3.6Å; F367-Y434 HydrophobicContact CZ-CD2 3.6Å; F367-Y434 AromaticContact CZ-CE2 3.6Å; F367-Y434 HydrophobicContact CZ-CE2 3.6Å; Y400-Y434 CarbonylContact O-C 3.59Å; Y400-Y434 VanDerWaalsContact O-CA 3.27Å; Y400-Y434 WeakPolarHBondContact O-CA 3.41Å; C401-Y434 HydrophobicContact CB-CD1 4.2Å; C401-Y434 HydrophobicContact CB-CE1 3.82Å; E407-Y434 WeakPolarHBondContact OE2-CE1 3.27Å; P426-Y434 HydrophobicContact CB-CD2 4.19Å; P426-Y434 HydrophobicContact CB-CE2 3.54Å; S427-Y434 PolarHBondContact N-OH 2.75Å; S427-Y434 PolarHBondContact O-OH 3.21Å; C431-Y434 HydrophobicContact CB-CE1 4.11Å; C431-Y434 HydrophobicContact CB-CE2 3.75Å; Y434-R454 CarbonylContact O-C 3.49Å; Y434-R454 VanDerWaalsContact O-CA 3.23Å; Y434-R454 WeakPolarHBondContact O-CA 3.44Å; Y434-L455 PolarHBondContact N-O 3.24Å; Y434-L455 PolarHBondContact O-N 3.04Å |
| 435 | R | 90.7 | Very high | 82.3 | Confident | 41 Ų | 41 | 51.7 Ų | 51.7 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 117.9 | 167.1 | -178.2 | 174.3 | 64.2 | 82.1 | 3.8 | 108.3 | Y400 D403 E437 | Y400-R435 VanDerWaalsContact CD2-NH2 3.3Å; Y400-R435 WeakPolarHBondContact CD2-O 3.23Å; Y400-R435 VanDerWaalsContact CG-NH2 3.31Å; Y400-R435 PolarHBondContact N-O 3.31Å; Y400-R435 PolarHBondContact O-N 3.16Å; D403-R435 PolarHBondContact O-NE 2.77Å; D403-R435 PolarHBondContact O-NH2 2.88Å; R435-E437 IonicContact NH1-OE2 3.74Å |
| 436 | L | 92.5 | Very high | 82 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 133.6 | 172.6 | -59 | 164.3 | 0 | 0 | 0 | 108.3 | F359 F373 V375 L397 S398 F399 Q452 Q453 L455 | F359-L436 HydrophobicContact CE1-CB 3.98Å; F359-L436 HydrophobicContact CE1-CD1 4.15Å; F359-L436 HydrophobicContact CZ-CB 3.73Å; F373-L436 HydrophobicContact CE1-CD1 4.45Å; V375-L436 HydrophobicContact CG2-CD1 4.02Å; L397-L436 HydrophobicContact CD1-CB 4.32Å; S398-L436 CarbonylContact O-C 3.53Å; S398-L436 WeakPolarHBondContact O-CA 3.44Å; F399-L436 HydrophobicContact CD1-CD2 3.14Å; F399-L436 HydrophobicContact CE1-CD2 3.08Å; F399-L436 HydrophobicContact CG-CD2 3.97Å; F399-L436 HydrophobicContact CZ-CD2 3.89Å; L436-Q452 CarbonylContact O-C 3.51Å; L436-Q452 WeakPolarHBondContact O-CA 2.91Å; L436-Q452 WeakPolarHBondContact O-CB 3.5Å; L436-Q453 WeakPolarHBondContact CA-O 3.29Å; L436-Q453 HydrophobicContact CB-CB 4.44Å; L436-Q453 VanDerWaalsContact CB-O 3.26Å; L436-Q453 WeakPolarHBondContact CB-O 3.31Å; L436-Q453 HydrophobicContact CD1-CB 4.28Å; L436-Q453 HydrophobicContact CD1-CG 4.42Å; L436-Q453 PolarHBondContact N-O 2.94Å; L436-Q453 PolarHBondContact O-N 2.95Å; L436-L455 HydrophobicContact CD1-CD1 3.87Å; L436-L455 HydrophobicContact CD1-CD2 3.94Å; L436-L455 HydrophobicContact CD1-CG 3.85Å; L436-L455 HydrophobicContact CG-CD1 4.34Å; L436-L455 HydrophobicContact CG-CG 4.36Å |
| 437 | E | 93.1 | Very high | 81.9 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 10% | 0.098 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 116.4 | 174.1 | -172.5 | -175.8 | 177.8 | 0 | 0 | 108.8 | L397 S398 Y400 R435 R439 | L397-E437 WeakPolarHBondContact CA-O 3.48Å; S398-E437 PolarHBondContact N-O 2.88Å; S398-E437 PolarHBondContact O-N 2.9Å; Y400-E437 HydrophobicContact CE2-CB 3.9Å; Y400-E437 WeakPolarHBondContact CE2-OE2 3.42Å; Y400-E437 PolarHBondContact OH-OE2 2.75Å; R435-E437 IonicContact NH1-OE2 3.74Å; E437-R439 VanDerWaalsContact CD-NH2 3.31Å; E437-R439 HydrophobicContact CG-CG 4.36Å; E437-R439 IonicContact OE1-CZ 2.78Å; E437-R439 IonicContact OE1-NE 3.97Å; E437-R439 PolarHBondContact OE1-NE 2.79Å; E437-R439 IonicContact OE1-NH2 3.88Å; E437-R439 PolarHBondContact OE1-NH2 2.83Å; E437-R439 IonicContact OE2-CZ 3.46Å; E437-R439 IonicContact OE2-NE 3.24Å; E437-R439 IonicContact OE2-NH2 2.75Å; E437-R439 PolarHBondContact OE2-NH2 2.93Å |
| 438 | A | 92.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | I357 F359 L377 T396 L397 N450 D451 | I357-A438 HydrophobicContact CD1-CB 3.68Å; I357-A438 HydrophobicContact CG1-CB 4.4Å; F359-A438 HydrophobicContact CE1-CB 4.48Å; F359-A438 HydrophobicContact CE2-CB 3.61Å; F359-A438 HydrophobicContact CZ-CB 3.57Å; L377-A438 HydrophobicContact CD1-CB 4Å; L377-A438 HydrophobicContact CD2-CB 3.6Å; L377-A438 HydrophobicContact CG-CB 4.47Å; T396-A438 CarbonylContact O-C 3.59Å; T396-A438 WeakPolarHBondContact O-CA 3.3Å; L397-A438 HydrophobicContact CD1-CB 4.1Å; A438-N450 CarbonylContact O-C 3.5Å; A438-N450 WeakPolarHBondContact O-CA 3.34Å; A438-D451 PolarHBondContact N-O 3.34Å; A438-D451 PolarHBondContact O-N 3.41Å |
| 439 | R | 92 | Very high | 83.2 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 28% | 0.275 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.9 | 176.6 | -58.2 | 174.4 | 174.8 | 174.7 | 3.5 | 109.1 | V395 T396 E437 I447 N450 | V395-R439 CarbonylContact C-O 3.46Å; V395-R439 WeakPolarHBondContact CA-O 3.3Å; T396-R439 PolarHBondContact N-O 3.44Å; T396-R439 PolarHBondContact O-N 2.84Å; T396-R439 WeakPolarHBondContact OG1-CB 3.43Å; E437-R439 VanDerWaalsContact CD-NH2 3.31Å; E437-R439 HydrophobicContact CG-CG 4.36Å; E437-R439 IonicContact OE1-CZ 2.78Å; E437-R439 IonicContact OE1-NE 3.97Å; E437-R439 PolarHBondContact OE1-NE 2.79Å; E437-R439 IonicContact OE1-NH2 3.88Å; E437-R439 PolarHBondContact OE1-NH2 2.83Å; E437-R439 IonicContact OE2-CZ 3.46Å; E437-R439 IonicContact OE2-NE 3.24Å; E437-R439 IonicContact OE2-NH2 2.75Å; E437-R439 PolarHBondContact OE2-NH2 2.93Å; R439-I447 HydrophobicContact CB-CG1 4.48Å; R439-I447 HydrophobicContact CB-CG2 4.12Å; R439-I447 HydrophobicContact CG-CG2 4.4Å; R439-N450 HydrophobicContact CG-CB 4.09Å |
| 440 | Y | 87.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 119.2 | 170.3 | -174.1 | -85.6 | 0 | 0 | 0 | 109.5 | P355 V379 Y389 R393 V395 I414 I447 L448 S449 | P355-Y440 HydrophobicContact CB-CE1 4.38Å; P355-Y440 HydrophobicContact CB-CE2 4.37Å; P355-Y440 HydrophobicContact CG-CD1 3.7Å; P355-Y440 HydrophobicContact CG-CD2 4.39Å; P355-Y440 HydrophobicContact CG-CE1 3.21Å; P355-Y440 HydrophobicContact CG-CE2 3.97Å; P355-Y440 HydrophobicContact CG-CG 4.23Å; P355-Y440 WeakPolarHBondContact CG-OH 3.47Å; V379-Y440 HydrophobicContact CG1-CD2 3.79Å; V379-Y440 HydrophobicContact CG1-CE2 3.58Å; V379-Y440 HydrophobicContact CG2-CD2 4.28Å; Y389-Y440 WeakPolarHBondContact CE1-OH 3.26Å; Y389-Y440 VanDerWaalsContact OH-CE2 3.3Å; Y389-Y440 WeakPolarHBondContact OH-CE2 3.28Å; Y389-Y440 PolarHBondContact OH-OH 3.46Å; R393-Y440 WeakPolarHBondContact CD-OH 3.3Å; R393-Y440 PolarHBondContact NH1-OH 3.43Å; V395-Y440 HydrophobicContact CG2-CD2 3.94Å; I414-Y440 HydrophobicContact CD1-CD2 4.26Å; I414-Y440 HydrophobicContact CD1-CE2 3.46Å; I414-Y440 VanDerWaalsContact CD1-CE2 3.46Å; Y440-I447 WeakPolarHBondContact O-CA 3.47Å; Y440-L448 HydrophobicContact CD1-CB 3.98Å; Y440-L448 HydrophobicContact CD1-CD1 4.07Å; Y440-L448 HydrophobicContact CD1-CG 4.27Å; Y440-L448 HydrophobicContact CE1-CD1 3.91Å; Y440-L448 PolarHBondContact O-N 2.84Å; Y440-S449 PolarHBondContact N-O 3.47Å |
| 441 | I | 84.1 | Confident | 85.1 | Confident | 27 Ų | 27 | 54.5 Ų | 54.5 | 14% | 0.138 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.9 | -177.2 | -52.4 | -170.3 | 0 | 0 | 0 | 109.3 | K394 T396 D445 R446 | K394-I441 PolarHBondContact N-O 3.06Å; K394-I441 PolarHBondContact O-N 2.79Å; T396-I441 HydrophobicContact CG2-CD1 3.36Å; T396-I441 HydrophobicContact CG2-CG1 4.24Å; I441-D445 VanDerWaalsContact CG2-CA 3.49Å; I441-D445 HydrophobicContact CG2-CB 4.38Å; I441-R446 WeakPolarHBondContact CA-O 3.4Å |
| 442 | D | 76 | Confident | 85.7 | Confident | 35 Ų | 35 | 57 Ų | 57 | 19% | 0.187 | 28% | 0.279 | C | S | . | . | trans | -79.3 | 174.1 | 174 | -165.3 | 22.4 | 0 | 0 | 0 | 111.9 | R393 T444 D445 R446 L448 | R393-D442 IonicContact CZ-OD1 3.65Å; R393-D442 IonicContact NE-OD1 3.73Å; R393-D442 PolarHBondContact NE-OD1 3.03Å; R393-D442 IonicContact NH2-OD1 3.64Å; D442-T444 PolarHBondContact O-N 2.85Å; D442-D445 PolarHBondContact O-N 2.62Å; D442-R446 PolarHBondContact N-O 3.28Å; D442-L448 HydrophobicContact CB-CD1 3.91Å; D442-L448 HydrophobicContact CB-CG 4.13Å | ||
| 443 | E | 76.7 | Confident | 86.2 | Confident | 124 Ų | 124 | 53.2 Ų | 53.2 | 58% | 0.579 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -16.9 | 179.6 | -58.4 | -174.7 | 163.9 | 0 | 0 | 113.8 | G391 N392 R393 | G391-E443 WeakPolarHBondContact CA-OE1 3.29Å; N392-E443 PolarHBondContact N-OE1 2.81Å; R393-E443 HydrophobicContact CG-CG 4.1Å |
| 444 | T | 78.6 | Confident | 86.4 | Confident | 86 Ų | 86 | 53.7 Ų | 53.7 | 53% | 0.528 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 15.4 | 177.1 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | D442 R446 | D442-T444 PolarHBondContact O-N 2.85Å; T444-R446 PolarHBondContact O-N 3.15Å; T444-R446 VanDerWaalsContact O-N 3.14Å; T444-R446 WeakPolarHBondContact OG1-CD 3.44Å; T444-R446 WeakPolarHBondContact OG1-CG 2.9Å |
| 445 | D | 77.6 | Confident | 86.4 | Confident | 138 Ų | 138 | 53.8 Ų | 53.8 | 74% | 0.738 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 57 | 22.1 | -174.8 | -73.6 | -36.9 | 0 | 0 | 0 | 114.5 | I441 D442 | I441-D445 VanDerWaalsContact CG2-CA 3.49Å; I441-D445 HydrophobicContact CG2-CB 4.38Å; D442-D445 PolarHBondContact O-N 2.62Å |
| 446 | R | 81 | Confident | 86.3 | Confident | 174 Ų | 174 | 51.9 Ų | 51.9 | 66% | 0.657 | 25% | 0.253 | S | S | * | . | trans | -86.9 | 131.9 | 175.5 | -67.4 | -179.1 | -178.5 | -179.1 | 0.7 | 110.7 | I441 D442 T444 L448 | I441-R446 WeakPolarHBondContact CA-O 3.4Å; D442-R446 PolarHBondContact N-O 3.28Å; T444-R446 PolarHBondContact O-N 3.15Å; T444-R446 VanDerWaalsContact O-N 3.14Å; T444-R446 WeakPolarHBondContact OG1-CD 3.44Å; T444-R446 WeakPolarHBondContact OG1-CG 2.9Å; R446-L448 PolarHBondContact O-N 3Å | ||
| 447 | I | 82.6 | Confident | 86 | Confident | 88 Ų | 88 | 53.2 Ų | 53.2 | 45% | 0.451 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 108.9 | 172.7 | -58.3 | 163.2 | 0 | 0 | 0 | 107.9 | R439 Y440 N450 | R439-I447 HydrophobicContact CB-CG1 4.48Å; R439-I447 HydrophobicContact CB-CG2 4.12Å; R439-I447 HydrophobicContact CG-CG2 4.4Å; Y440-I447 WeakPolarHBondContact O-CA 3.47Å; I447-N450 HydrophobicContact CG2-CB 4.4Å |
| 448 | L | 81.5 | Confident | 85.7 | Confident | 48 Ų | 48 | 53 Ų | 53 | 25% | 0.251 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -33.8 | 179 | -62.7 | -176.3 | 0 | 0 | 0 | 112.5 | P355 Y440 D442 R446 | P355-L448 HydrophobicContact CG-CD1 4.18Å; Y440-L448 HydrophobicContact CD1-CB 3.98Å; Y440-L448 HydrophobicContact CD1-CD1 4.07Å; Y440-L448 HydrophobicContact CD1-CG 4.27Å; Y440-L448 HydrophobicContact CE1-CD1 3.91Å; Y440-L448 PolarHBondContact O-N 2.84Å; D442-L448 HydrophobicContact CB-CD1 3.91Å; D442-L448 HydrophobicContact CB-CG 4.13Å; R446-L448 PolarHBondContact O-N 3Å |
| 449 | S | 86.1 | Confident | 85.3 | Confident | 18 Ų | 18 | 56 Ų | 56 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 145.2 | 178.4 | -171.3 | 0 | 0 | 0 | 0 | 108.9 | P355 I357 Y440 | P355-S449 VanDerWaalsContact O-CB 3.31Å; P355-S449 WeakPolarHBondContact O-CB 3.14Å; I357-S449 PolarHBondContact N-OG 3.47Å; Y440-S449 PolarHBondContact N-O 3.47Å |
| 450 | N | 91.2 | Very high | 84.9 | Confident | 97 Ų | 97 | 53.4 Ų | 53.4 | 52% | 0.519 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 155.9 | 168.7 | 63.5 | -9.8 | 0 | 0 | 0 | 110.2 | A438 R439 I447 | A438-N450 CarbonylContact O-C 3.5Å; A438-N450 WeakPolarHBondContact O-CA 3.34Å; R439-N450 HydrophobicContact CG-CB 4.09Å; I447-N450 HydrophobicContact CG2-CB 4.4Å |
| 451 | D | 90.2 | Very high | 84.5 | Confident | 53 Ų | 53 | 59.2 Ų | 59.2 | 28% | 0.283 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 164.3 | 171.4 | -164.5 | 17.5 | 0 | 0 | 0 | 109.1 | I357 K358 F359 A438 | I357-D451 HydrophobicContact CG2-CB 4.12Å; K358-D451 VanDerWaalsContact CA-OD2 3.3Å; K358-D451 WeakPolarHBondContact CA-OD2 3.37Å; F359-D451 HydrophobicContact CD2-CB 3.91Å; F359-D451 HydrophobicContact CE2-CB 4.25Å; F359-D451 WeakPolarHBondContact CE2-O 3.43Å; F359-D451 PolarHBondContact N-OD2 2.82Å; A438-D451 PolarHBondContact N-O 3.34Å; A438-D451 PolarHBondContact O-N 3.41Å |
| 452 | Q | 91 | Very high | 84.4 | Confident | 74 Ų | 74 | 60 Ų | 60 | 35% | 0.346 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 143.6 | 179 | 63.9 | -177.6 | -29.9 | 0 | 0 | 112.2 | L436 | L436-Q452 CarbonylContact O-C 3.51Å; L436-Q452 WeakPolarHBondContact O-CA 2.91Å; L436-Q452 WeakPolarHBondContact O-CB 3.5Å |
| 453 | Q | 90.4 | Very high | 84.8 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 135 | 173.5 | 179.3 | 172.7 | 69.3 | 0 | 0 | 108.8 | F359 L360 G362 M363 R365 L436 L455 | F359-Q453 HydrophobicContact CB-CB 3.91Å; F359-Q453 HydrophobicContact CB-CG 4.48Å; F359-Q453 HydrophobicContact CD1-CB 3.65Å; F359-Q453 HydrophobicContact CD1-CG 4.4Å; F359-Q453 HydrophobicContact CD2-CB 3.78Å; F359-Q453 HydrophobicContact CE1-CB 4.01Å; F359-Q453 HydrophobicContact CE2-CB 4.15Å; F359-Q453 HydrophobicContact CG-CB 3.51Å; F359-Q453 HydrophobicContact CG-CG 4.45Å; F359-Q453 HydrophobicContact CZ-CB 4.26Å; L360-Q453 PolarHBondContact O-NE2 2.97Å; G362-Q453 PolarHBondContact O-NE2 3.41Å; M363-Q453 CarbonylContact O-C 3.55Å; M363-Q453 WeakPolarHBondContact O-CA 3.44Å; R365-Q453 VanDerWaalsContact CD-NE2 3.33Å; L436-Q453 WeakPolarHBondContact CA-O 3.29Å; L436-Q453 HydrophobicContact CB-CB 4.44Å; L436-Q453 VanDerWaalsContact CB-O 3.26Å; L436-Q453 WeakPolarHBondContact CB-O 3.31Å; L436-Q453 HydrophobicContact CD1-CB 4.28Å; L436-Q453 HydrophobicContact CD1-CG 4.42Å; L436-Q453 PolarHBondContact N-O 2.94Å; L436-Q453 PolarHBondContact O-N 2.95Å; Q453-L455 HydrophobicContact CG-CD2 4.38Å |
| 454 | R | 89.9 | Confident | 85.4 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 11% | 0.109 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 144.6 | 175.8 | -67.5 | -174.8 | 175.9 | 87.7 | 0.7 | 110.3 | M363 V364 R365 D403 Y434 W715 | M363-R454 PolarHBondContact O-N 2.92Å; V364-R454 CarbonylContact C-O 3.5Å; V364-R454 VanDerWaalsContact CA-O 3.28Å; V364-R454 WeakPolarHBondContact CA-O 3.32Å; V364-R454 HydrophobicContact CG2-CB 4.44Å; R365-R454 PolarHBondContact N-O 2.75Å; D403-R454 IonicContact OD1-NE 3.31Å; D403-R454 PolarHBondContact OD1-NE 3.29Å; Y434-R454 CarbonylContact O-C 3.49Å; Y434-R454 VanDerWaalsContact O-CA 3.23Å; Y434-R454 WeakPolarHBondContact O-CA 3.44Å; R454-W715 VanDerWaalsContact CZ-CH2 3.48Å; R454-W715 VanDerWaalsContact NH2-CZ2 3.31Å |
| 455 | L | 89.2 | Confident | 85.9 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 145.5 | 172.9 | -43.3 | 175.1 | 0 | 0 | 0 | 110.4 | R365 F367 F373 T433 Y434 L436 Q453 | R365-L455 HydrophobicContact CB-CD2 3.96Å; R365-L455 CarbonylContact O-C 3.56Å; R365-L455 WeakPolarHBondContact O-CA 3.33Å; F367-L455 HydrophobicContact CB-CB 4.45Å; F367-L455 HydrophobicContact CB-CD1 4.44Å; F367-L455 HydrophobicContact CD1-CB 3.65Å; F367-L455 HydrophobicContact CE1-CB 4.37Å; F367-L455 HydrophobicContact CG-CB 4.41Å; F373-L455 HydrophobicContact CD1-CD1 3.72Å; F373-L455 HydrophobicContact CD1-CD2 4.34Å; F373-L455 HydrophobicContact CE1-CD1 3.7Å; F373-L455 HydrophobicContact CE1-CD2 3.5Å; F373-L455 HydrophobicContact CE1-CG 4.26Å; F373-L455 HydrophobicContact CE2-CD2 4.03Å; F373-L455 HydrophobicContact CG-CD1 4.23Å; F373-L455 HydrophobicContact CZ-CD1 4.21Å; F373-L455 HydrophobicContact CZ-CD2 3.32Å; F373-L455 HydrophobicContact CZ-CG 4.42Å; T433-L455 CarbonylContact C-O 3.36Å; T433-L455 VanDerWaalsContact CA-O 3.23Å; T433-L455 WeakPolarHBondContact CA-O 3.06Å; Y434-L455 PolarHBondContact N-O 3.24Å; Y434-L455 PolarHBondContact O-N 3.04Å; L436-L455 HydrophobicContact CD1-CD1 3.87Å; L436-L455 HydrophobicContact CD1-CD2 3.94Å; L436-L455 HydrophobicContact CD1-CG 3.85Å; L436-L455 HydrophobicContact CG-CD1 4.34Å; L436-L455 HydrophobicContact CG-CG 4.36Å; Q453-L455 HydrophobicContact CG-CD2 4.38Å |
| 456 | F | 88 | Confident | 86.6 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 150.4 | 172.3 | 71.1 | -88.4 | 0 | 0 | 0 | 111.1 | V364 R365 P366 F367 I432 A651 T714 I716 M719 | V364-F456 HydrophobicContact CG1-CD1 3.76Å; V364-F456 HydrophobicContact CG1-CE1 4.04Å; R365-F456 PolarHBondContact O-N 2.99Å; R365-F456 VanDerWaalsContact O-N 3.08Å; P366-F456 CarbonylContact C-O 3.16Å; P366-F456 VanDerWaalsContact CA-O 3.29Å; P366-F456 WeakPolarHBondContact CA-O 3.08Å; P366-F456 HydrophobicContact CB-CE1 4.04Å; P366-F456 HydrophobicContact CB-CE2 3.96Å; P366-F456 HydrophobicContact CB-CZ 3.65Å; P366-F456 HydrophobicContact CG-CZ 4.29Å; F367-F456 WeakPolarHBondContact CD1-O 3.27Å; F367-F456 PolarHBondContact N-O 3.09Å; I432-F456 WeakPolarHBondContact O-CA 3.31Å; F456-A651 HydrophobicContact CE2-CB 3.66Å; F456-A651 HydrophobicContact CZ-CB 3.97Å; F456-T714 HydrophobicContact CB-CG2 4.4Å; F456-I716 HydrophobicContact CE1-CG1 4.41Å; F456-I716 HydrophobicContact CE2-CD1 4.3Å; F456-I716 HydrophobicContact CZ-CD1 4.01Å; F456-I716 HydrophobicContact CZ-CG1 4.31Å; F456-M719 HydrophobicContact CE1-SD 3.72Å; F456-M719 HydrophobicContact CZ-SD 3.9Å |
| 457 | A | 87.1 | Confident | 87.1 | Confident | 27 Ų | 27 | 37.5 Ų | 37.5 | 22% | 0.223 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 134 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F367 P369 I432 | F367-A457 HydrophobicContact CE1-CB 3.96Å; F367-A457 VanDerWaalsContact CE1-N 3.31Å; F367-A457 HydrophobicContact CE2-CB 4.46Å; F367-A457 HydrophobicContact CZ-CB 3.84Å; F367-A457 CarbonylContact O-C 3.47Å; F367-A457 WeakPolarHBondContact O-CA 3.28Å; P369-A457 HydrophobicContact CG-CB 4.16Å; I432-A457 PolarHBondContact O-N 3.01Å |
| 458 | V | 87.4 | Confident | 87.6 | Confident | 17 Ų | 17 | 33.5 Ų | 33.5 | 10% | 0.103 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 134.1 | 171.3 | 174 | 0 | 0 | 0 | 0 | 110.2 | P366 F367 K368 Y465 | P366-V458 HydrophobicContact CB-CG2 3.72Å; F367-V458 WeakPolarHBondContact O-CG2 3.35Å; F367-V458 PolarHBondContact O-N 3.47Å; K368-V458 HydrophobicContact CG-CB 4.23Å; K368-V458 HydrophobicContact CG-CG2 4.01Å; V458-Y465 HydrophobicContact CB-CE1 4.24Å; V458-Y465 HydrophobicContact CG1-CE1 4.3Å; V458-Y465 WeakPolarHBondContact O-CE1 3.48Å; V458-Y465 PolarHBondContact O-OH 2.79Å; V458-Y465 VanDerWaalsContact O-OH 3.08Å |
| 459 | N | 83 | Confident | 88.1 | Confident | 63 Ų | 63 | 33.1 Ų | 33.1 | 34% | 0.337 | 18% | 0.184 | S | C | . | . | P | Polyproline II helix | trans | -81.6 | 127.7 | -178.6 | -169.9 | 26.8 | 0 | 0 | 0 | 111.4 | A651 | N459-A651 PolarHBondContact N-O 2.77Š|
| 460 | S | 82.9 | Confident | 88.4 | Confident | 18 Ų | 18 | 33 Ų | 33 | 13% | 0.126 | 18% | 0.183 | C | C | . | . | trans | -137.8 | 142.8 | 170.4 | 164.1 | 0 | 0 | 0 | 0 | 110 | S462 G463 A464 E545 | S460-S462 PolarHBondContact OG-N 3.39Å; S460-G463 PolarHBondContact OG-N 2.77Å; S460-A464 PolarHBondContact OG-N 2.89Å; S460-A464 PolarHBondContact OG-O 3.12Å; S460-E545 PolarHBondContact OG-OE1 3.26Å | ||
| 461 | Y | 79.9 | Confident | 88.3 | Confident | 122 Ų | 122 | 31.3 Ų | 31.3 | 48% | 0.478 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -69.5 | -37 | 179.6 | -66.6 | -45.3 | 0 | 0 | 0 | 112.2 | E545 T671 K672 | Y461-E545 PolarHBondContact N-OE1 2.82Å; Y461-T671 HydrophobicContact CD2-CG2 3.65Å; Y461-T671 HydrophobicContact CE2-CG2 4.04Å; Y461-T671 HydrophobicContact CG-CG2 4Å; Y461-K672 PolarHBondContact OH-O 3.39Å |
| 462 | S | 82.6 | Confident | 88.3 | Confident | 45 Ų | 45 | 30.4 Ų | 30.4 | 32% | 0.315 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -106.7 | 6 | -176.8 | 77.1 | 0 | 0 | 0 | 0 | 114.9 | S460 A464 K541 E545 | S460-S462 PolarHBondContact OG-N 3.39Å; S462-A464 PolarHBondContact O-N 2.76Å; S462-A464 WeakPolarHBondContact OG-CB 3.08Å; S462-K541 WeakPolarHBondContact OG-CD 3.38Å; S462-K541 PolarHBondContact OG-NZ 2.88Å; S462-E545 WeakPolarHBondContact CB-OE2 3.46Å; S462-E545 PolarHBondContact N-OE2 3.31Å; S462-E545 PolarHBondContact OG-OE2 3Å |
| 463 | G | 84.3 | Confident | 88 | Confident | 35 Ų | 35 | 30.9 Ų | 30.9 | 36% | 0.361 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 66 | 22.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113 | S460 Y465 N488 | S460-G463 PolarHBondContact OG-N 2.77Å; G463-Y465 WeakPolarHBondContact O-CE2 3.22Å; G463-N488 PolarHBondContact O-ND2 2.85Å |
| 464 | A | 88.7 | Confident | 87.7 | Confident | 3 Ų | 3 | 34.2 Ų | 34.2 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | trans | -92.8 | 132.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | S460 S462 N488 K541 V547 | S460-A464 PolarHBondContact OG-N 2.89Å; S460-A464 PolarHBondContact OG-O 3.12Å; S462-A464 PolarHBondContact O-N 2.76Å; S462-A464 WeakPolarHBondContact OG-CB 3.08Å; A464-N488 WeakPolarHBondContact CA-OD1 3.39Å; A464-K541 HydrophobicContact CB-CD 4.45Å; A464-V547 HydrophobicContact CB-CG2 3.87Å; A464-V547 WeakPolarHBondContact O-CG1 3.41Å | ||
| 465 | Y | 90.2 | Very high | 87.7 | Confident | 27 Ų | 27 | 33 Ų | 33 | 11% | 0.106 | 20% | 0.195 | C | C | . | . | trans | -132.6 | 139.7 | -176.1 | -59.5 | -68.6 | 0 | 0 | 0 | 110.7 | K368 P369 M371 V458 G463 T487 N488 | K368-Y465 HydrophobicContact CB-CD1 4.27Å; K368-Y465 HydrophobicContact CB-CG 4.27Å; K368-Y465 HydrophobicContact CG-CD1 4.09Å; K368-Y465 HydrophobicContact CG-CG 4.47Å; P369-Y465 HydrophobicContact CB-CE2 3.99Å; P369-Y465 VanDerWaalsContact CD-CZ 3.48Å; P369-Y465 HydrophobicContact CG-CE2 3.88Å; M371-Y465 WeakPolarHBondContact CE-O 3.34Å; V458-Y465 HydrophobicContact CB-CE1 4.24Å; V458-Y465 HydrophobicContact CG1-CE1 4.3Å; V458-Y465 WeakPolarHBondContact O-CE1 3.48Å; V458-Y465 PolarHBondContact O-OH 2.79Å; V458-Y465 VanDerWaalsContact O-OH 3.08Å; G463-Y465 WeakPolarHBondContact O-CE2 3.22Å; Y465-T487 WeakPolarHBondContact O-CA 3.3Å; Y465-N488 WeakPolarHBondContact CD2-ND2 3.28Å; Y465-N488 PolarHBondContact N-OD1 2.91Å; Y465-N488 PolarHBondContact O-N 2.72Å; Y465-N488 PolarHBondContact O-OD1 3Å | ||
| 466 | L | 91.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.2 | 169.4 | 178.1 | 66.2 | 0 | 0 | 0 | 107.7 | K368 V485 Q486 T487 I494 A537 F539 V547 D549 | K368-L466 WeakPolarHBondContact CD-O 3.08Å; K368-L466 WeakPolarHBondContact CE-O 3.33Å; K368-L466 PolarHBondContact NZ-O 2.93Å; L466-V485 HydrophobicContact CD1-CG1 3.54Å; L466-Q486 CarbonylContact C-O 3.59Å; L466-T487 HydrophobicContact CD1-CG2 3.48Å; L466-T487 VanDerWaalsContact CD1-CG2 3.48Å; L466-I494 HydrophobicContact CD1-CD1 4.06Å; L466-A537 VanDerWaalsContact CD2-C 3.47Å; L466-A537 HydrophobicContact CD2-CB 3.87Å; L466-A537 WeakPolarHBondContact CD2-O 3.3Å; L466-F539 HydrophobicContact CB-CD1 4.44Å; L466-F539 HydrophobicContact CB-CE1 4.12Å; L466-F539 HydrophobicContact CD1-CD1 4.38Å; L466-F539 HydrophobicContact CD2-CD1 4.43Å; L466-V547 HydrophobicContact CB-CG1 3.89Å; L466-D549 HydrophobicContact CB-CB 4.4Å; L466-D549 HydrophobicContact CD2-CB 4.3Å; L466-D549 HydrophobicContact CG-CB 4.16Å; L466-D549 WeakPolarHBondContact O-CB 3.43Å |
| 467 | Q | 91.6 | Very high | 87.7 | Confident | 19 Ų | 19 | 36.4 Ų | 36.4 | 9% | 0.089 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128.8 | 174 | -176.4 | 175.6 | 9.6 | 0 | 0 | 111.2 | Y372 V485 Q486 D549 | Y372-Q467 PolarHBondContact O-NE2 2.86Å; Y372-Q467 PolarHBondContact O-OE1 3.09Å; Q467-V485 CarbonylContact O-C 3.58Å; Q467-V485 WeakPolarHBondContact O-CA 3.14Å; Q467-Q486 HydrophobicContact CB-CB 4.47Å; Q467-Q486 PolarHBondContact N-O 2.7Å; Q467-Q486 PolarHBondContact O-N 2.77Å; Q467-D549 WeakPolarHBondContact CA-OD2 3.38Å |
| 468 | L | 93 | Very high | 87.7 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 131.7 | 166.3 | -62.4 | 179.5 | 0 | 0 | 0 | 109.6 | I483 V485 I535 A537 D549 L551 | L468-I483 HydrophobicContact CD2-CG2 4.2Å; L468-V485 HydrophobicContact CD2-CB 4.38Å; L468-V485 HydrophobicContact CD2-CG1 4.22Å; L468-V485 HydrophobicContact CD2-CG2 3.74Å; L468-I535 HydrophobicContact CD1-CG2 4.12Å; L468-I535 VanDerWaalsContact CD1-O 3.31Å; L468-I535 WeakPolarHBondContact CD1-O 3.47Å; L468-A537 HydrophobicContact CD1-CB 3.76Å; L468-A537 HydrophobicContact CD2-CB 3.77Å; L468-A537 HydrophobicContact CG-CB 4.08Å; L468-D549 HydrophobicContact CG-CB 4.19Å; L468-D549 PolarHBondContact N-OD2 2.98Å; L468-L551 HydrophobicContact CB-CB 3.91Å; L468-L551 HydrophobicContact CD1-CB 4.14Å |
| 469 | S | 91.9 | Very high | 87.8 | Confident | 39 Ų | 39 | 45 Ų | 45 | 27% | 0.273 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 165.8 | 171.3 | 58.4 | 0 | 0 | 0 | 0 | 109.9 | I483 H484 | S469-I483 CarbonylContact O-C 3.44Å; S469-I483 WeakPolarHBondContact O-CA 3.18Å; S469-H484 PolarHBondContact N-O 2.89Å; S469-H484 PolarHBondContact O-N 2.95Å; S469-H484 WeakPolarHBondContact OG-CB 3.31Å; S469-H484 PolarHBondContact OG-O 3.3Å |
| 470 | T | 92.4 | Very high | 88.3 | Confident | 17 Ų | 17 | 49.9 Ų | 49.9 | 10% | 0.104 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 142.6 | -178.5 | 174.8 | 0 | 0 | 0 | 0 | 110 | T472 M481 V482 L551 P645 | T470-T472 PolarHBondContact OG1-N 2.71Å; T470-T472 PolarHBondContact OG1-O 2.72Å; T470-M481 HydrophobicContact CG2-CE 3.9Å; T470-M481 WeakPolarHBondContact OG1-CE 3.2Å; T470-V482 WeakPolarHBondContact CA-O 3.11Å; T470-V482 PolarHBondContact OG1-O 3.11Å; T470-V482 VanDerWaalsContact OG1-O 3.06Å; T470-L551 HydrophobicContact CG2-CD1 4.43Å; T470-L551 HydrophobicContact CG2-CD2 4.01Å; T470-P645 HydrophobicContact CG2-CB 3.53Å; T470-P645 HydrophobicContact CG2-CG 3.5Å |
| 471 | S | 90.2 | Very high | 88.8 | Confident | 61 Ų | 61 | 49.1 Ų | 49.1 | 43% | 0.427 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -91.6 | -12.7 | 166.3 | 45.6 | 0 | 0 | 0 | 0 | 112.3 | V482 H484 | S471-V482 PolarHBondContact N-O 3.47Å; S471-H484 VanDerWaalsContact CB-NE2 3.35Å; S471-H484 WeakPolarHBondContact CB-NE2 3.47Å; S471-H484 PolarHBondContact OG-NE2 3.22Å |
| 472 | T | 90.1 | Very high | 89.5 | Confident | 34 Ų | 34 | 45.7 Ų | 45.7 | 21% | 0.209 | 25% | 0.251 | C | S | . | . | trans | -98.9 | 99.2 | -179.3 | -34.1 | 0 | 0 | 0 | 0 | 109.3 | T470 V482 | T470-T472 PolarHBondContact OG1-N 2.71Å; T470-T472 PolarHBondContact OG1-O 2.72Å; T472-V482 PolarHBondContact OG1-N 3.3Å | ||
| 473 | F | 83.1 | Confident | 90 | Very high | 84 Ų | 84 | 43.6 Ų | 43.6 | 37% | 0.368 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -81.7 | -23.4 | -173.8 | -62.7 | -76.7 | 0 | 0 | 0 | 114.7 | R421 P645 | R421-F473 VanDerWaalsContact NH1-CD1 3.33Å; F473-P645 HydrophobicContact CD1-CG 3.79Å; F473-P645 HydrophobicContact CE1-CG 4.45Å |
| 474 | S | 86 | Confident | 90.5 | Very high | 70 Ų | 70 | 44.7 Ų | 44.7 | 49% | 0.49 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -129.9 | 77.2 | 179.5 | 170.7 | 0 | 0 | 0 | 0 | 109.4 | K476 | S474-K476 PolarHBondContact O-N 3.47Š|
| 475 | P | 90 | Very high | 90.7 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.019 | 23% | 0.231 | C | C | . | . | trans | -66.4 | 129.6 | 179.1 | 24.9 | -27.9 | 0 | 0 | 0 | 110.4 | M481 V525 F553 Y554 N556 | P475-M481 HydrophobicContact CB-CB 4.21Å; P475-M481 HydrophobicContact CB-CG 4.3Å; P475-M481 HydrophobicContact CB-SD 4.06Å; P475-M481 HydrophobicContact CG-SD 4.08Å; P475-V525 HydrophobicContact CB-CG1 4.45Å; P475-V525 HydrophobicContact CB-CG2 3.76Å; P475-F553 HydrophobicContact CB-CD2 4.43Å; P475-F553 HydrophobicContact CG-CD2 3.49Å; P475-F553 VanDerWaalsContact CG-CD2 3.49Å; P475-F553 HydrophobicContact CG-CE2 4.12Å; P475-F553 HydrophobicContact CG-CG 4.32Å; P475-Y554 WeakPolarHBondContact CD-O 3.32Å; P475-Y554 WeakPolarHBondContact CG-O 3.39Å; P475-N556 PolarHBondContact O-N 2.9Å | ||
| 476 | K | 88.8 | Confident | 90.7 | Very high | 63 Ų | 63 | 45.6 Ų | 45.6 | 27% | 0.274 | 24% | 0.236 | S | C | . | . | B | Isolated β-bridge | trans | -104.8 | 145.2 | 178 | -63.8 | 177.5 | 178 | -171.4 | 0 | 110.4 | S474 N478 E479 V525 N556 H559 | S474-K476 PolarHBondContact O-N 3.47Å; K476-N478 PolarHBondContact O-N 3.48Å; K476-E479 HydrophobicContact CB-CB 4.33Å; K476-E479 HydrophobicContact CB-CG 4.1Å; K476-E479 WeakPolarHBondContact CD-OE1 3.36Å; K476-E479 WeakPolarHBondContact O-CB 3.48Å; K476-E479 PolarHBondContact O-N 2.86Å; K476-V525 VanDerWaalsContact O-CB 3.32Å; K476-V525 WeakPolarHBondContact O-CB 3.45Å; K476-N556 HydrophobicContact CG-CB 4.41Å; K476-H559 PolarHBondContact NZ-NE2 2.83Å |
| 477 | V | 87.4 | Confident | 90.7 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 138.2 | 174.5 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | E479 R527 N556 L560 | V477-E479 VanDerWaalsContact C-N 3.26Å; V477-E479 PolarHBondContact O-N 2.85Å; V477-R527 HydrophobicContact CG1-CB 4.19Å; V477-N556 WeakPolarHBondContact CG2-O 3.44Å; V477-N556 PolarHBondContact N-O 2.73Å; V477-L560 HydrophobicContact CB-CD2 4.43Å; V477-L560 HydrophobicContact CB-CG 4.48Å; V477-L560 HydrophobicContact CG1-CD1 4.23Å; V477-L560 HydrophobicContact CG1-CD2 3.82Å; V477-L560 HydrophobicContact CG1-CG 4.25Å |
| 478 | N | 86.6 | Confident | 90.6 | Very high | 129 Ų | 129 | 48.2 Ų | 48.2 | 69% | 0.69 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 10.1 | -172.5 | -55.5 | -24.5 | 0 | 0 | 0 | 115.5 | K476 V525 | K476-N478 PolarHBondContact O-N 3.48Å; N478-V525 PolarHBondContact N-O 3.3Å |
| 479 | E | 90.7 | Very high | 90.2 | Very high | 97 Ų | 97 | 51.1 Ų | 51.1 | 45% | 0.453 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -109.8 | 169.2 | 169.1 | -64.9 | -175.6 | -178.3 | 0 | 0 | 111.7 | K476 V477 V525 | K476-E479 HydrophobicContact CB-CB 4.33Å; K476-E479 HydrophobicContact CB-CG 4.1Å; K476-E479 WeakPolarHBondContact CD-OE1 3.36Å; K476-E479 WeakPolarHBondContact O-CB 3.48Å; K476-E479 PolarHBondContact O-N 2.86Å; V477-E479 VanDerWaalsContact C-N 3.26Å; V477-E479 PolarHBondContact O-N 2.85Å; E479-V525 WeakPolarHBondContact O-CB 3.13Å; E479-V525 WeakPolarHBondContact O-CG2 3.16Å; E479-V525 PolarHBondContact O-N 2.79Å |
| 480 | Y | 93.1 | Very high | 89.9 | Confident | 165 Ų | 165 | 52.6 Ų | 52.6 | 65% | 0.647 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 130.8 | 177.3 | -68 | -84.5 | 0 | 0 | 0 | 111.4 | I523 A524 | Y480-I523 CarbonylContact C-O 3.59Å; Y480-I523 WeakPolarHBondContact CA-O 3.2Å; Y480-A524 HydrophobicContact CD1-CB 4.07Å; Y480-A524 HydrophobicContact CE1-CB 3.81Å |
| 481 | M | 93.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.1 | 171.5 | -179.9 | 177.9 | 177.1 | 0 | 0 | 109.8 | T470 P475 I483 S522 I523 V525 L551 F553 | T470-M481 HydrophobicContact CG2-CE 3.9Å; T470-M481 WeakPolarHBondContact OG1-CE 3.2Å; P475-M481 HydrophobicContact CB-CB 4.21Å; P475-M481 HydrophobicContact CB-CG 4.3Å; P475-M481 HydrophobicContact CB-SD 4.06Å; P475-M481 HydrophobicContact CG-SD 4.08Å; M481-I483 HydrophobicContact CE-CG1 4.44Å; M481-I483 HydrophobicContact CG-CG1 4.39Å; M481-S522 CarbonylContact O-C 3.53Å; M481-S522 WeakPolarHBondContact O-CA 3.11Å; M481-I523 PolarHBondContact N-O 3.17Å; M481-I523 PolarHBondContact O-N 2.6Å; M481-V525 HydrophobicContact CB-CG2 3.82Å; M481-L551 HydrophobicContact CE-CD2 3.87Å; M481-F553 HydrophobicContact CE-CB 4.15Å; M481-F553 HydrophobicContact CE-CD1 3.84Å; M481-F553 HydrophobicContact CE-CD2 4.31Å; M481-F553 HydrophobicContact CE-CE1 4.36Å; M481-F553 HydrophobicContact CE-CG 3.81Å; M481-F553 HydrophobicContact SD-CD1 4.03Å; M481-F553 HydrophobicContact SD-CD2 3.81Å; M481-F553 HydrophobicContact SD-CE1 4.07Å; M481-F553 HydrophobicContact SD-CE2 3.79Å; M481-F553 HydrophobicContact SD-CG 3.9Å; M481-F553 HydrophobicContact SD-CZ 3.92Å |
| 482 | V | 95.1 | Very high | 89.2 | Confident | 50 Ų | 50 | 54.7 Ų | 54.7 | 30% | 0.303 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122.5 | -179.5 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | T470 S471 T472 | T470-V482 WeakPolarHBondContact CA-O 3.11Å; T470-V482 PolarHBondContact OG1-O 3.11Å; T470-V482 VanDerWaalsContact OG1-O 3.06Å; S471-V482 PolarHBondContact N-O 3.47Å; T472-V482 PolarHBondContact OG1-N 3.3Å |
| 483 | I | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 134.4 | -176.9 | -59.2 | 151 | 0 | 0 | 0 | 109 | L468 S469 M481 V485 T520 F521 I523 I535 | L468-I483 HydrophobicContact CD2-CG2 4.2Å; S469-I483 CarbonylContact O-C 3.44Å; S469-I483 WeakPolarHBondContact O-CA 3.18Å; M481-I483 HydrophobicContact CE-CG1 4.44Å; M481-I483 HydrophobicContact CG-CG1 4.39Å; I483-V485 HydrophobicContact CG2-CG2 4.48Å; I483-T520 CarbonylContact O-C 3.58Å; I483-T520 VanDerWaalsContact O-CA 3.28Å; I483-T520 WeakPolarHBondContact O-CA 3.38Å; I483-F521 HydrophobicContact CB-CD1 4.12Å; I483-F521 HydrophobicContact CB-CE1 3.72Å; I483-F521 HydrophobicContact CB-CZ 4.09Å; I483-F521 HydrophobicContact CD1-CE1 4.27Å; I483-F521 HydrophobicContact CD1-CE2 4.02Å; I483-F521 HydrophobicContact CD1-CZ 3.75Å; I483-F521 HydrophobicContact CG2-CD1 4.34Å; I483-F521 HydrophobicContact CG2-CE1 3.59Å; I483-F521 HydrophobicContact CG2-CZ 4.07Å; I483-F521 PolarHBondContact N-O 3.31Å; I483-F521 PolarHBondContact O-N 3.3Å; I483-I523 HydrophobicContact CD1-CB 4.35Å; I483-I523 HydrophobicContact CD1-CD1 3.34Å; I483-I523 HydrophobicContact CD1-CG1 3.7Å; I483-I535 HydrophobicContact CD1-CD1 3.48Å; I483-I535 VanDerWaalsContact CD1-CD1 3.48Å; I483-I535 HydrophobicContact CG1-CD1 4.37Å |
| 484 | H | 93.6 | Very high | 89.5 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 27% | 0.269 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.1 | 176.4 | -50.7 | -75.5 | 0 | 0 | 0 | 108.7 | S469 S471 T520 | S469-H484 PolarHBondContact N-O 2.89Å; S469-H484 PolarHBondContact O-N 2.95Å; S469-H484 WeakPolarHBondContact OG-CB 3.31Å; S469-H484 PolarHBondContact OG-O 3.3Å; S471-H484 VanDerWaalsContact CB-NE2 3.35Å; S471-H484 WeakPolarHBondContact CB-NE2 3.47Å; S471-H484 PolarHBondContact OG-NE2 3.22Å; H484-T520 HydrophobicContact CB-CG2 4.43Å; H484-T520 WeakPolarHBondContact ND1-CG2 3.48Å |
| 485 | V | 92.8 | Very high | 89.8 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.7 | 177.2 | -171.2 | 0 | 0 | 0 | 0 | 108.2 | L466 Q467 L468 I483 I494 L510 S518 R519 F521 | L466-V485 HydrophobicContact CD1-CG1 3.54Å; Q467-V485 CarbonylContact O-C 3.58Å; Q467-V485 WeakPolarHBondContact O-CA 3.14Å; L468-V485 HydrophobicContact CD2-CB 4.38Å; L468-V485 HydrophobicContact CD2-CG1 4.22Å; L468-V485 HydrophobicContact CD2-CG2 3.74Å; I483-V485 HydrophobicContact CG2-CG2 4.48Å; V485-I494 HydrophobicContact CG1-CD1 3.55Å; V485-L510 HydrophobicContact CB-CD2 4.33Å; V485-L510 HydrophobicContact CG2-CD2 3.85Å; V485-S518 CarbonylContact O-C 3.58Å; V485-S518 WeakPolarHBondContact O-CA 2.96Å; V485-R519 PolarHBondContact N-O 2.83Å; V485-R519 PolarHBondContact O-N 2.85Å; V485-F521 HydrophobicContact CG2-CD1 3.85Å; V485-F521 HydrophobicContact CG2-CE1 3.48Å; V485-F521 VanDerWaalsContact CG2-CE1 3.48Å |
| 486 | Q | 91.5 | Very high | 89.9 | Confident | 47 Ų | 47 | 53 Ų | 53 | 22% | 0.22 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 134.6 | 177.3 | -174.9 | 177.4 | -10.9 | 0 | 0 | 110.3 | M371 L466 Q467 T517 | M371-Q486 HydrophobicContact CE-CG 4.44Å; M371-Q486 HydrophobicContact SD-CG 4.06Å; L466-Q486 CarbonylContact C-O 3.59Å; Q467-Q486 HydrophobicContact CB-CB 4.47Å; Q467-Q486 PolarHBondContact N-O 2.7Å; Q467-Q486 PolarHBondContact O-N 2.77Å; Q486-T517 CarbonylContact C-O 3.57Å; Q486-T517 WeakPolarHBondContact CA-O 3.47Å |
| 487 | T | 91 | Very high | 90.2 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 148.8 | 175.5 | 62.1 | 0 | 0 | 0 | 0 | 110.1 | Y465 L466 Y489 T491 I494 T517 F539 | Y465-T487 WeakPolarHBondContact O-CA 3.3Å; L466-T487 HydrophobicContact CD1-CG2 3.48Å; L466-T487 VanDerWaalsContact CD1-CG2 3.48Å; T487-Y489 VanDerWaalsContact CB-O 3.26Å; T487-Y489 WeakPolarHBondContact CB-O 3.43Å; T487-Y489 PolarHBondContact OG1-O 3.15Å; T487-T491 HydrophobicContact CG2-CG2 4.31Å; T487-I494 HydrophobicContact CG2-CD1 4.01Å; T487-T517 PolarHBondContact N-O 2.69Å; T487-T517 WeakPolarHBondContact O-CB 3.26Å; T487-T517 PolarHBondContact OG1-O 2.91Å; T487-F539 HydrophobicContact CG2-CD1 4.44Å; T487-F539 HydrophobicContact CG2-CE1 4.08Å |
| 488 | N | 88.9 | Confident | 90.5 | Very high | 71 Ų | 71 | 49.5 Ų | 49.5 | 38% | 0.38 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -92.8 | -4.8 | 168.8 | 67.9 | -16.1 | 0 | 0 | 0 | 112.3 | M371 G463 A464 Y465 | M371-N488 HydrophobicContact CE-CB 3.81Å; M371-N488 VanDerWaalsContact CE-N 3.29Å; G463-N488 PolarHBondContact O-ND2 2.85Å; A464-N488 WeakPolarHBondContact CA-OD1 3.39Å; Y465-N488 WeakPolarHBondContact CD2-ND2 3.28Å; Y465-N488 PolarHBondContact N-OD1 2.91Å; Y465-N488 PolarHBondContact O-N 2.72Å; Y465-N488 PolarHBondContact O-OD1 3Å |
| 489 | Y | 84.7 | Confident | 90.8 | Very high | 64 Ų | 64 | 43.4 Ų | 43.4 | 25% | 0.251 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -120.1 | 134.4 | 176.9 | -172.4 | -100.4 | 0 | 0 | 0 | 109.4 | T487 T491 F539 K541 D542 | T487-Y489 VanDerWaalsContact CB-O 3.26Å; T487-Y489 WeakPolarHBondContact CB-O 3.43Å; T487-Y489 PolarHBondContact OG1-O 3.15Å; Y489-T491 PolarHBondContact O-N 2.85Å; Y489-F539 HydrophobicContact CD1-CE2 4.12Å; Y489-K541 HydrophobicContact CD1-CG 4.25Å; Y489-K541 HydrophobicContact CE1-CD 4.44Å; Y489-K541 HydrophobicContact CE1-CG 3.79Å; Y489-K541 VanDerWaalsContact CE2-CE 3.45Å; Y489-D542 PolarHBondContact OH-OD2 3.45Å |
| 490 | P | 84.6 | Confident | 90.7 | Very high | 70 Ų | 70 | 38.9 Ų | 38.9 | 46% | 0.455 | 19% | 0.188 | S | C | . | . | trans | -67.6 | 128.1 | 173.6 | 28.5 | -33.1 | 0 | 0 | 0 | 110 | ||||
| 491 | T | 84.5 | Confident | 90.3 | Very high | 19 Ų | 19 | 31.8 Ų | 31.8 | 12% | 0.117 | 16% | 0.161 | C | C | . | . | trans | -136.2 | 152 | 177.1 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | T487 Y489 K493 I494 M512 F539 | T487-T491 HydrophobicContact CG2-CG2 4.31Å; Y489-T491 PolarHBondContact O-N 2.85Å; T491-K493 PolarHBondContact OG1-O 2.81Å; T491-I494 HydrophobicContact CG2-CD1 4.04Å; T491-I494 HydrophobicContact CG2-CG1 3.78Å; T491-M512 HydrophobicContact CG2-CG 4.47Å; T491-M512 WeakPolarHBondContact O-CB 3.41Å; T491-F539 HydrophobicContact CG2-CB 4.36Å; T491-F539 HydrophobicContact CG2-CD1 4.3Å; T491-F539 HydrophobicContact CG2-CD2 4.32Å; T491-F539 HydrophobicContact CG2-CG 4.08Å | ||
| 492 | D | 84.6 | Confident | 89.8 | Confident | 104 Ų | 104 | 32.2 Ų | 32.2 | 56% | 0.556 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -88.7 | -28.7 | -177.1 | -71.5 | -7.7 | 0 | 0 | 0 | 113.3 | M512 | D492-M512 PolarHBondContact O-N 3.31Š|
| 493 | K | 87.4 | Confident | 89.5 | Confident | 112 Ų | 112 | 30.7 Ų | 30.7 | 49% | 0.487 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 133.4 | -174.2 | -64.2 | -178.6 | -174.2 | 173.6 | 0 | 110.5 | T491 L510 | T491-K493 PolarHBondContact OG1-O 2.81Å; K493-L510 WeakPolarHBondContact CA-O 3.36Å |
| 494 | I | 90.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.1 | 173.4 | -60.9 | 177.5 | 0 | 0 | 0 | 107.5 | L466 V485 T487 T491 Q509 L510 M512 A537 F539 | L466-I494 HydrophobicContact CD1-CD1 4.06Å; V485-I494 HydrophobicContact CG1-CD1 3.55Å; T487-I494 HydrophobicContact CG2-CD1 4.01Å; T491-I494 HydrophobicContact CG2-CD1 4.04Å; T491-I494 HydrophobicContact CG2-CG1 3.78Å; I494-Q509 CarbonylContact O-C 3.53Å; I494-Q509 WeakPolarHBondContact O-CA 3.4Å; I494-L510 HydrophobicContact CB-CB 4.34Å; I494-L510 PolarHBondContact N-O 2.88Å; I494-L510 PolarHBondContact O-N 2.81Å; I494-M512 HydrophobicContact CD1-CE 3.82Å; I494-M512 HydrophobicContact CD1-CG 3.79Å; I494-M512 HydrophobicContact CD1-SD 4.04Å; I494-M512 HydrophobicContact CG1-CG 3.99Å; I494-A537 HydrophobicContact CG2-CB 4.02Å; I494-F539 HydrophobicContact CG1-CB 4.32Å |
| 495 | H | 92.3 | Very high | 89.3 | Confident | 11 Ų | 11 | 30.3 Ų | 30.3 | 5% | 0.051 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 140.3 | 176 | -67.5 | -94.7 | 0 | 0 | 0 | 109.1 | F53 A537 Y538 | F53-H495 AromaticContact CE1-CD2 3.62Å; F53-H495 AromaticContact CE1-CE1 3.79Å; F53-H495 AromaticContact CE1-NE2 3.27Å; F53-H495 VanDerWaalsContact CE1-NE2 3.27Å; F53-H495 WeakPolarHBondContact CE1-NE2 3.38Å; H495-A537 CarbonylContact O-C 3.55Å; H495-A537 VanDerWaalsContact O-CA 3.22Å; H495-A537 WeakPolarHBondContact O-CA 3.5Å; H495-Y538 HydrophobicContact CB-CD1 4.05Å; H495-Y538 HydrophobicContact CB-CD2 4.26Å; H495-Y538 HydrophobicContact CB-CE1 3.55Å; H495-Y538 HydrophobicContact CB-CE2 3.79Å; H495-Y538 HydrophobicContact CB-CG 4.38Å; H495-Y538 VanDerWaalsContact CB-CZ 3.41Å; H495-Y538 PolarHBondContact N-O 3.3Å; H495-Y538 PolarHBondContact O-N 3.37Å |
| 496 | Y | 93.3 | Very high | 89.3 | Confident | 29 Ų | 29 | 32.2 Ų | 32.2 | 11% | 0.114 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 148.3 | 175.8 | 73.8 | -85.7 | 0 | 0 | 0 | 112.3 | T507 D508 F521 I523 V536 | Y496-T507 WeakPolarHBondContact O-CA 3.44Å; Y496-D508 HydrophobicContact CD1-CB 4.4Å; Y496-D508 WeakPolarHBondContact CD1-O 3.42Å; Y496-D508 HydrophobicContact CE1-CB 3.58Å; Y496-D508 HydrophobicContact CE2-CB 4.21Å; Y496-D508 VanDerWaalsContact CZ-CB 3.48Å; Y496-D508 PolarHBondContact N-O 3.08Å; Y496-D508 PolarHBondContact O-N 2.85Å; Y496-D508 WeakPolarHBondContact OH-CB 3.29Å; Y496-D508 PolarHBondContact OH-OD2 3.34Å; Y496-F521 HydrophobicContact CD1-CE2 4.36Å; Y496-F521 HydrophobicContact CD1-CZ 4.48Å; Y496-F521 HydrophobicContact CD2-CE2 4.29Å; Y496-F521 HydrophobicContact CD2-CZ 4.45Å; Y496-F521 HydrophobicContact CE1-CE2 4.11Å; Y496-F521 HydrophobicContact CE2-CE2 4.01Å; Y496-F521 HydrophobicContact CG-CE2 4.44Å; Y496-F521 HydrophobicContact CG-CZ 4.37Å; Y496-F521 AromaticContact CZ-CE2 3.92Å; Y496-I523 HydrophobicContact CD2-CD1 4.24Å; Y496-I523 HydrophobicContact CE2-CD1 3.87Å; Y496-I523 HydrophobicContact CE2-CG1 4.39Å; Y496-V536 CarbonylContact C-O 3.6Å; Y496-V536 WeakPolarHBondContact CA-O 3.46Å |
| 497 | V | 94 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 133.8 | -178.6 | -176.4 | 0 | 0 | 0 | 0 | 109 | L35 V499 I504 A506 I535 V536 Y538 | L35-V497 HydrophobicContact CD1-CG2 3.65Å; V497-V499 HydrophobicContact CG1-CG2 4.14Å; V497-I504 HydrophobicContact CG1-CB 4.44Å; V497-I504 HydrophobicContact CG1-CD1 4.28Å; V497-I504 HydrophobicContact CG1-CG1 4.09Å; V497-I504 HydrophobicContact CG1-CG2 3.63Å; V497-A506 WeakPolarHBondContact CA-O 3.26Å; V497-I535 WeakPolarHBondContact O-CA 3.32Å; V497-V536 PolarHBondContact N-O 2.96Å; V497-V536 PolarHBondContact O-N 3.48Å; V497-Y538 HydrophobicContact CG2-CE1 4.47Å |
| 498 | V | 94.1 | Very high | 89.3 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.024 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 123 | 173.8 | -175 | 0 | 0 | 0 | 0 | 108.6 | L505 A506 I523 M529 H534 I535 | V498-L505 HydrophobicContact CG1-CB 4.43Å; V498-L505 HydrophobicContact CG1-CD1 4.34Å; V498-L505 PolarHBondContact O-N 2.83Å; V498-A506 HydrophobicContact CB-CB 4.44Å; V498-A506 HydrophobicContact CG2-CB 4.41Å; V498-A506 PolarHBondContact N-O 2.92Å; V498-I523 HydrophobicContact CG2-CD1 4.27Å; V498-M529 HydrophobicContact CG1-CE 3.54Å; V498-M529 HydrophobicContact CG1-CG 4.43Å; V498-M529 HydrophobicContact CG1-SD 4.46Å; V498-H534 CarbonylContact C-O 3.58Å; V498-H534 WeakPolarHBondContact CA-O 3.44Å; V498-I535 HydrophobicContact CG2-CG1 4.26Å |
| 499 | V | 92.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.6 | -179.9 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | V497 N503 S533 H534 L662 | V497-V499 HydrophobicContact CG1-CG2 4.14Å; V499-N503 CarbonylContact C-O 3.55Å; V499-N503 WeakPolarHBondContact CA-O 3.38Å; V499-N503 WeakPolarHBondContact CG1-O 3.24Å; V499-S533 CarbonylContact O-C 3.54Å; V499-S533 VanDerWaalsContact O-CA 3.31Å; V499-S533 WeakPolarHBondContact O-CA 3.47Å; V499-H534 HydrophobicContact CB-CB 4.25Å; V499-H534 PolarHBondContact N-O 3.34Å; V499-H534 PolarHBondContact O-N 2.86Å; V499-L662 HydrophobicContact CG1-CD2 4.29Å; V499-L662 HydrophobicContact CG2-CD1 3.71Å; V499-L662 HydrophobicContact CG2-CD2 3.78Å; V499-L662 HydrophobicContact CG2-CG 3.85Å |
| 500 | S | 89.9 | Confident | 89.6 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 151.8 | 177.9 | -174.2 | 0 | 0 | 0 | 0 | 110.5 | G502 N503 Y528 M529 I532 S533 E621 | S500-G502 PolarHBondContact O-N 2.82Å; S500-G502 VanDerWaalsContact O-N 3.15Å; S500-N503 PolarHBondContact N-O 2.62Å; S500-N503 PolarHBondContact O-N 2.7Å; S500-Y528 VanDerWaalsContact CB-O 3.27Å; S500-Y528 WeakPolarHBondContact CB-O 3.35Å; S500-Y528 PolarHBondContact OG-O 3.06Å; S500-M529 WeakPolarHBondContact OG-CA 3.39Å; S500-I532 PolarHBondContact OG-O 2.98Å; S500-I532 VanDerWaalsContact OG-O 3.06Å; S500-S533 WeakPolarHBondContact CB-OG 3.33Å; S500-S533 PolarHBondContact OG-OG 2.67Å; S500-E621 VanDerWaalsContact C-OE1 3.32Å |
| 501 | N | 84 | Confident | 89.8 | Confident | 16 Ų | 16 | 39.7 Ų | 39.7 | 9% | 0.086 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 34.9 | -173.6 | -68.5 | -45 | 0 | 0 | 0 | 113.3 | R41 N503 Y528 F530 E621 | R41-N501 PolarHBondContact NH2-O 2.88Å; N501-N503 VanDerWaalsContact C-N 3.31Å; N501-N503 PolarHBondContact O-N 3.02Å; N501-Y528 PolarHBondContact ND2-O 3.29Å; N501-F530 PolarHBondContact ND2-O 3.18Å; N501-F530 VanDerWaalsContact ND2-O 3.12Å; N501-F530 PolarHBondContact OD1-O 3.44Å; N501-E621 WeakPolarHBondContact CA-OE1 3.3Å; N501-E621 PolarHBondContact N-OE1 3.15Å |
| 502 | G | 82.3 | Confident | 89.9 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 11% | 0.113 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | 18.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P37 S500 E621 | P37-G502 VanDerWaalsContact CB-O 3.3Å; P37-G502 WeakPolarHBondContact CB-O 3.19Å; S500-G502 PolarHBondContact O-N 2.82Å; S500-G502 VanDerWaalsContact O-N 3.15Å; G502-E621 PolarHBondContact N-OE1 3.48Å |
| 503 | N | 89.7 | Confident | 89.7 | Confident | 18 Ų | 18 | 37.5 Ų | 37.5 | 10% | 0.096 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 159.2 | -177.3 | -162.6 | 4.3 | 0 | 0 | 0 | 111.6 | L45 Q47 V499 S500 N501 | L45-N503 PolarHBondContact O-ND2 3.18Å; Q47-N503 PolarHBondContact N-OD1 3.3Å; V499-N503 CarbonylContact C-O 3.55Å; V499-N503 WeakPolarHBondContact CA-O 3.38Å; V499-N503 WeakPolarHBondContact CG1-O 3.24Å; S500-N503 PolarHBondContact N-O 2.62Å; S500-N503 PolarHBondContact O-N 2.7Å; N501-N503 VanDerWaalsContact C-N 3.31Å; N501-N503 PolarHBondContact O-N 3.02Å |
| 504 | I | 92.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 130.8 | 175.5 | -63.6 | 173.1 | 0 | 0 | 0 | 108.5 | L35 P37 Q47 V497 L662 | L35-I504 HydrophobicContact CB-CD1 4.3Å; L35-I504 VanDerWaalsContact O-CD1 3.23Å; L35-I504 WeakPolarHBondContact O-CD1 3.37Å; P37-I504 HydrophobicContact CG-CG1 4.33Å; Q47-I504 HydrophobicContact CB-CB 4.16Å; Q47-I504 WeakPolarHBondContact CB-O 3.07Å; Q47-I504 VanDerWaalsContact CD-O 3.23Å; Q47-I504 PolarHBondContact OE1-O 3.48Å; V497-I504 HydrophobicContact CG1-CB 4.44Å; V497-I504 HydrophobicContact CG1-CD1 4.28Å; V497-I504 HydrophobicContact CG1-CG1 4.09Å; V497-I504 HydrophobicContact CG1-CG2 3.63Å; I504-L662 HydrophobicContact CD1-CD2 4.03Å; I504-L662 HydrophobicContact CG1-CD2 3.89Å |
| 505 | L | 90.5 | Very high | 88 | Confident | 50 Ų | 50 | 43 Ų | 43 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -44.2 | 177.5 | -65.5 | -176.2 | 0 | 0 | 0 | 112.7 | V498 M529 | V498-L505 HydrophobicContact CG1-CB 4.43Å; V498-L505 HydrophobicContact CG1-CD1 4.34Å; V498-L505 PolarHBondContact O-N 2.83Å; L505-M529 HydrophobicContact CD1-CG 3.58Å |
| 506 | A | 91.4 | Very high | 87.6 | Confident | 44 Ų | 44 | 45.1 Ų | 45.1 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 150.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V497 V498 | V497-A506 WeakPolarHBondContact CA-O 3.26Å; V498-A506 HydrophobicContact CB-CB 4.44Å; V498-A506 HydrophobicContact CG2-CB 4.41Å; V498-A506 PolarHBondContact N-O 2.92Å |
| 507 | T | 92.2 | Very high | 87.2 | Confident | 26 Ų | 26 | 46.8 Ų | 46.8 | 16% | 0.16 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 136.6 | 176.9 | -169.2 | 0 | 0 | 0 | 0 | 109.1 | S49 T85 I87 Y496 | S49-T507 PolarHBondContact OG-OG1 3.05Å; T85-T507 HydrophobicContact CG2-CG2 3.55Å; T85-T507 WeakPolarHBondContact CG2-OG1 3.49Å; I87-T507 HydrophobicContact CD1-CG2 3.86Å; I87-T507 HydrophobicContact CG1-CG2 3.48Å; I87-T507 VanDerWaalsContact CG1-CG2 3.48Å; Y496-T507 WeakPolarHBondContact O-CA 3.44Å |
| 508 | D | 90.9 | Very high | 86.9 | Confident | 80 Ų | 80 | 50.3 Ų | 50.3 | 43% | 0.428 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 176.6 | -177.5 | -176.3 | 26 | 0 | 0 | 0 | 110.9 | Y496 | Y496-D508 HydrophobicContact CD1-CB 4.4Å; Y496-D508 WeakPolarHBondContact CD1-O 3.42Å; Y496-D508 HydrophobicContact CE1-CB 3.58Å; Y496-D508 HydrophobicContact CE2-CB 4.21Å; Y496-D508 VanDerWaalsContact CZ-CB 3.48Å; Y496-D508 PolarHBondContact N-O 3.08Å; Y496-D508 PolarHBondContact O-N 2.85Å; Y496-D508 WeakPolarHBondContact OH-CB 3.29Å; Y496-D508 PolarHBondContact OH-OD2 3.34Å |
| 509 | Q | 89.7 | Confident | 86.8 | Confident | 99 Ų | 99 | 54.5 Ų | 54.5 | 46% | 0.463 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 134.6 | -175.2 | 61.9 | -179.5 | -14.7 | 0 | 0 | 112.6 | I494 | I494-Q509 CarbonylContact O-C 3.53Å; I494-Q509 WeakPolarHBondContact O-CA 3.4Å |
| 510 | L | 90.4 | Very high | 86.8 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 113.1 | 176 | -174.9 | 73.1 | 0 | 0 | 0 | 110 | V485 K493 I494 M512 R519 F521 | V485-L510 HydrophobicContact CB-CD2 4.33Å; V485-L510 HydrophobicContact CG2-CD2 3.85Å; K493-L510 WeakPolarHBondContact CA-O 3.36Å; I494-L510 HydrophobicContact CB-CB 4.34Å; I494-L510 PolarHBondContact N-O 2.88Å; I494-L510 PolarHBondContact O-N 2.81Å; L510-M512 HydrophobicContact CD2-SD 4.34Å; L510-R519 HydrophobicContact CD1-CG 4.44Å; L510-R519 VanDerWaalsContact CD1-NH1 3.33Å; L510-R519 HydrophobicContact CD2-CB 4.33Å; L510-R519 HydrophobicContact CD2-CG 4.34Å; L510-F521 HydrophobicContact CD1-CB 3.88Å; L510-F521 HydrophobicContact CD1-CD1 4.31Å; L510-F521 HydrophobicContact CD1-CG 4.11Å; L510-F521 HydrophobicContact CD2-CD1 3.98Å; L510-F521 HydrophobicContact CD2-CE1 4.37Å |
| 511 | R | 89.4 | Confident | 87 | Confident | 195 Ų | 195 | 59.9 Ų | 59.9 | 74% | 0.736 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 127.5 | 176.2 | -170.7 | 176.6 | -178.5 | 176.1 | 0.5 | 111.9 | R519 | R511-R519 WeakPolarHBondContact O-CD 3.17Å; R511-R519 PolarHBondContact O-NH1 2.77Å |
| 512 | M | 85.8 | Confident | 87.4 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | trans | -106.2 | 111.9 | 178 | -68.9 | -69.5 | -94.1 | 0 | 0 | 108.3 | T491 D492 I494 L510 R519 | T491-M512 HydrophobicContact CG2-CG 4.47Å; T491-M512 WeakPolarHBondContact O-CB 3.41Å; D492-M512 PolarHBondContact O-N 3.31Å; I494-M512 HydrophobicContact CD1-CE 3.82Å; I494-M512 HydrophobicContact CD1-CG 3.79Å; I494-M512 HydrophobicContact CD1-SD 4.04Å; I494-M512 HydrophobicContact CG1-CG 3.99Å; L510-M512 HydrophobicContact CD2-SD 4.34Å; M512-R519 HydrophobicContact CE-CB 4.12Å; M512-R519 HydrophobicContact SD-CB 3.38Å; M512-R519 WeakPolarHBondContact SD-CB 3.49Å; M512-R519 HydrophobicContact SD-CG 4.23Å | ||
| 513 | P | 80.6 | Confident | 87.9 | Confident | 74 Ų | 74 | 62.7 Ų | 62.7 | 48% | 0.481 | 35% | 0.35 | S | S | . | . | trans | -63.7 | 146.5 | 178 | -17.5 | 31 | 0 | 0 | 0 | 111.4 | A515 V516 | P513-A515 PolarHBondContact O-N 3.43Å; P513-V516 HydrophobicContact CB-CG2 4.29Å; P513-V516 VanDerWaalsContact O-CB 3.32Å; P513-V516 WeakPolarHBondContact O-CB 3.41Å; P513-V516 WeakPolarHBondContact O-CG2 3.25Å; P513-V516 PolarHBondContact O-N 2.88Å | ||
| 514 | N | 70.8 | Confident | 88.1 | Confident | 144 Ų | 144 | 64.6 Ų | 64.6 | 77% | 0.77 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44 | 127.5 | -170.5 | -65.1 | 8.9 | 0 | 0 | 0 | 113.8 | V516 | N514-V516 VanDerWaalsContact C-N 3.28Å; N514-V516 PolarHBondContact O-N 2.85Å |
| 515 | A | 71.9 | Confident | 88 | Confident | 86 Ų | 86 | 64.8 Ų | 64.8 | 71% | 0.711 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117 | P513 T517 | P513-A515 PolarHBondContact O-N 3.43Å; A515-T517 PolarHBondContact O-N 3Å |
| 516 | V | 82.9 | Confident | 87.9 | Confident | 56 Ų | 56 | 64.3 Ų | 64.3 | 34% | 0.339 | 37% | 0.371 | S | S | . | . | trans | -80.7 | 118.2 | 171.8 | -179.6 | 0 | 0 | 0 | 0 | 110 | P513 N514 S518 | P513-V516 HydrophobicContact CB-CG2 4.29Å; P513-V516 VanDerWaalsContact O-CB 3.32Å; P513-V516 WeakPolarHBondContact O-CB 3.41Å; P513-V516 WeakPolarHBondContact O-CG2 3.25Å; P513-V516 PolarHBondContact O-N 2.88Å; N514-V516 VanDerWaalsContact C-N 3.28Å; N514-V516 PolarHBondContact O-N 2.85Å; V516-S518 WeakPolarHBondContact CG1-O 3.35Å | ||
| 517 | T | 85.3 | Confident | 87.6 | Confident | 64 Ų | 64 | 65.5 Ų | 65.5 | 39% | 0.393 | 37% | 0.366 | S | S | . | . | trans | -95 | -4.1 | 178.6 | 50.1 | 0 | 0 | 0 | 0 | 113.6 | Q486 T487 A515 | Q486-T517 CarbonylContact C-O 3.57Å; Q486-T517 WeakPolarHBondContact CA-O 3.47Å; T487-T517 PolarHBondContact N-O 2.69Å; T487-T517 WeakPolarHBondContact O-CB 3.26Å; T487-T517 PolarHBondContact OG1-O 2.91Å; A515-T517 PolarHBondContact O-N 3Å | ||
| 518 | S | 89.1 | Confident | 87.4 | Confident | 73 Ų | 73 | 69.9 Ų | 69.9 | 51% | 0.51 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 130.7 | 178.4 | 64.3 | 0 | 0 | 0 | 0 | 111.8 | V485 V516 | V485-S518 CarbonylContact O-C 3.58Å; V485-S518 WeakPolarHBondContact O-CA 2.96Å; V516-S518 WeakPolarHBondContact CG1-O 3.35Å |
| 519 | R | 91.4 | Very high | 87.3 | Confident | 93 Ų | 93 | 66.4 Ų | 66.4 | 35% | 0.351 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 145.9 | 176.1 | -172.8 | 170.5 | -172.7 | -150.1 | -4.5 | 110.7 | V485 L510 R511 M512 | V485-R519 PolarHBondContact N-O 2.83Å; V485-R519 PolarHBondContact O-N 2.85Å; L510-R519 HydrophobicContact CD1-CG 4.44Å; L510-R519 VanDerWaalsContact CD1-NH1 3.33Å; L510-R519 HydrophobicContact CD2-CB 4.33Å; L510-R519 HydrophobicContact CD2-CG 4.34Å; R511-R519 WeakPolarHBondContact O-CD 3.17Å; R511-R519 PolarHBondContact O-NH1 2.77Å; M512-R519 HydrophobicContact CE-CB 4.12Å; M512-R519 HydrophobicContact SD-CB 3.38Å; M512-R519 WeakPolarHBondContact SD-CB 3.49Å; M512-R519 HydrophobicContact SD-CG 4.23Å |
| 520 | T | 92.6 | Very high | 87.2 | Confident | 86 Ų | 86 | 62 Ų | 62 | 53% | 0.528 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 141.7 | 177 | 69.1 | 0 | 0 | 0 | 0 | 109.4 | I483 H484 | I483-T520 CarbonylContact O-C 3.58Å; I483-T520 VanDerWaalsContact O-CA 3.28Å; I483-T520 WeakPolarHBondContact O-CA 3.38Å; H484-T520 HydrophobicContact CB-CG2 4.43Å; H484-T520 WeakPolarHBondContact ND1-CG2 3.48Å |
| 521 | F | 93 | Very high | 87 | Confident | 28 Ų | 28 | 61.4 Ų | 61.4 | 12% | 0.123 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 163.9 | 175.6 | 75.3 | -75.5 | 0 | 0 | 0 | 110.2 | I483 V485 Y496 L510 I523 | I483-F521 HydrophobicContact CB-CD1 4.12Å; I483-F521 HydrophobicContact CB-CE1 3.72Å; I483-F521 HydrophobicContact CB-CZ 4.09Å; I483-F521 HydrophobicContact CD1-CE1 4.27Å; I483-F521 HydrophobicContact CD1-CE2 4.02Å; I483-F521 HydrophobicContact CD1-CZ 3.75Å; I483-F521 HydrophobicContact CG2-CD1 4.34Å; I483-F521 HydrophobicContact CG2-CE1 3.59Å; I483-F521 HydrophobicContact CG2-CZ 4.07Å; I483-F521 PolarHBondContact N-O 3.31Å; I483-F521 PolarHBondContact O-N 3.3Å; V485-F521 HydrophobicContact CG2-CD1 3.85Å; V485-F521 HydrophobicContact CG2-CE1 3.48Å; V485-F521 VanDerWaalsContact CG2-CE1 3.48Å; Y496-F521 HydrophobicContact CD1-CE2 4.36Å; Y496-F521 HydrophobicContact CD1-CZ 4.48Å; Y496-F521 HydrophobicContact CD2-CE2 4.29Å; Y496-F521 HydrophobicContact CD2-CZ 4.45Å; Y496-F521 HydrophobicContact CE1-CE2 4.11Å; Y496-F521 HydrophobicContact CE2-CE2 4.01Å; Y496-F521 HydrophobicContact CG-CE2 4.44Å; Y496-F521 HydrophobicContact CG-CZ 4.37Å; Y496-F521 AromaticContact CZ-CE2 3.92Å; L510-F521 HydrophobicContact CD1-CB 3.88Å; L510-F521 HydrophobicContact CD1-CD1 4.31Å; L510-F521 HydrophobicContact CD1-CG 4.11Å; L510-F521 HydrophobicContact CD2-CD1 3.98Å; L510-F521 HydrophobicContact CD2-CE1 4.37Å; F521-I523 HydrophobicContact CD2-CG1 4.03Å; F521-I523 HydrophobicContact CE2-CD1 3.61Å; F521-I523 HydrophobicContact CE2-CG1 3.52Å; F521-I523 HydrophobicContact CZ-CD1 4.13Å; F521-I523 HydrophobicContact CZ-CG1 4.42Å |
| 522 | S | 93.4 | Very high | 87 | Confident | 68 Ų | 68 | 52.2 Ų | 52.2 | 48% | 0.476 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 144.4 | 179.3 | 53.5 | 0 | 0 | 0 | 0 | 112 | M481 | M481-S522 CarbonylContact O-C 3.53Å; M481-S522 WeakPolarHBondContact O-CA 3.11Å |
| 523 | I | 92.3 | Very high | 87.3 | Confident | 19 Ų | 19 | 52.1 Ų | 52.1 | 10% | 0.097 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 136.7 | 174.4 | -61.1 | 179.7 | 0 | 0 | 0 | 108.6 | Y480 M481 I483 Y496 V498 F521 M529 I535 | Y480-I523 CarbonylContact C-O 3.59Å; Y480-I523 WeakPolarHBondContact CA-O 3.2Å; M481-I523 PolarHBondContact N-O 3.17Å; M481-I523 PolarHBondContact O-N 2.6Å; I483-I523 HydrophobicContact CD1-CB 4.35Å; I483-I523 HydrophobicContact CD1-CD1 3.34Å; I483-I523 HydrophobicContact CD1-CG1 3.7Å; Y496-I523 HydrophobicContact CD2-CD1 4.24Å; Y496-I523 HydrophobicContact CE2-CD1 3.87Å; Y496-I523 HydrophobicContact CE2-CG1 4.39Å; V498-I523 HydrophobicContact CG2-CD1 4.27Å; F521-I523 HydrophobicContact CD2-CG1 4.03Å; F521-I523 HydrophobicContact CE2-CD1 3.61Å; F521-I523 HydrophobicContact CE2-CG1 3.52Å; F521-I523 HydrophobicContact CZ-CD1 4.13Å; F521-I523 HydrophobicContact CZ-CG1 4.42Å; I523-M529 HydrophobicContact CG2-CE 4.31Å; I523-I535 HydrophobicContact CD1-CD1 3.69Å; I523-I535 HydrophobicContact CD1-CG1 4.16Å |
| 524 | A | 93.4 | Very high | 87.9 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 48% | 0.479 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 122.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y480 S526 | Y480-A524 HydrophobicContact CD1-CB 4.07Å; Y480-A524 HydrophobicContact CE1-CB 3.81Å; A524-S526 PolarHBondContact O-N 2.81Å |
| 525 | V | 91.1 | Very high | 89 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -80.7 | 119.2 | -178.6 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | P475 K476 N478 E479 M481 M529 A555 | P475-V525 HydrophobicContact CB-CG1 4.45Å; P475-V525 HydrophobicContact CB-CG2 3.76Å; K476-V525 VanDerWaalsContact O-CB 3.32Å; K476-V525 WeakPolarHBondContact O-CB 3.45Å; N478-V525 PolarHBondContact N-O 3.3Å; E479-V525 WeakPolarHBondContact O-CB 3.13Å; E479-V525 WeakPolarHBondContact O-CG2 3.16Å; E479-V525 PolarHBondContact O-N 2.79Å; M481-V525 HydrophobicContact CB-CG2 3.82Å; V525-M529 HydrophobicContact CG1-SD 4.44Å; V525-A555 HydrophobicContact CG1-CB 3.74Å |
| 526 | S | 89.1 | Confident | 90.1 | Very high | 41 Ų | 41 | 37.7 Ų | 37.7 | 29% | 0.287 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -102.1 | 164.7 | -179.1 | 77.9 | 0 | 0 | 0 | 0 | 112.3 | A524 Y528 M529 | A524-S526 PolarHBondContact O-N 2.81Å; S526-Y528 PolarHBondContact O-N 2.82Å; S526-Y528 PolarHBondContact OG-N 2.81Å; S526-M529 PolarHBondContact N-SD 3.03Å; S526-M529 VanDerWaalsContact O-CB 3.3Å; S526-M529 WeakPolarHBondContact O-CB 3.46Å; S526-M529 PolarHBondContact O-N 2.96Å; S526-M529 VanDerWaalsContact O-N 3.08Å |
| 527 | R | 85.2 | Confident | 90.6 | Very high | 69 Ų | 69 | 35.1 Ų | 35.1 | 26% | 0.26 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -60.9 | -30.3 | 175.8 | 81.6 | -179.4 | -151.5 | -170.7 | 13 | 113 | D157 V477 M529 F530 L560 E786 | D157-R527 IonicContact OD2-CZ 2.63Å; D157-R527 IonicContact OD2-NH2 3.62Å; D157-R527 PolarHBondContact OD2-NH2 3.2Å; V477-R527 HydrophobicContact CG1-CB 4.19Å; R527-M529 PolarHBondContact O-N 3.5Å; R527-F530 WeakPolarHBondContact O-CB 3.43Å; R527-F530 PolarHBondContact O-N 3Å; R527-L560 HydrophobicContact CB-CD1 4.27Å; R527-E786 PolarHBondContact NH1-O 3.08Å |
| 528 | Y | 86.3 | Confident | 90.9 | Very high | 118 Ų | 118 | 32.1 Ų | 32.1 | 46% | 0.463 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -71 | -11.4 | -179.7 | -62.4 | -73.7 | 0 | 0 | 0 | 112.3 | D157 S500 N501 S526 F530 | D157-Y528 HydrophobicContact CB-CD1 4.48Å; D157-Y528 HydrophobicContact CB-CE1 4.29Å; S500-Y528 VanDerWaalsContact CB-O 3.27Å; S500-Y528 WeakPolarHBondContact CB-O 3.35Å; S500-Y528 PolarHBondContact OG-O 3.06Å; N501-Y528 PolarHBondContact ND2-O 3.29Å; S526-Y528 PolarHBondContact O-N 2.82Å; S526-Y528 PolarHBondContact OG-N 2.81Å; Y528-F530 VanDerWaalsContact C-N 3.32Å |
| 529 | M | 90 | Very high | 91 | Very high | 6 Ų | 6 | 28.7 Ų | 28.7 | 3% | 0.03 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -84.1 | -5.9 | 175.8 | -65.4 | 170.2 | 88.8 | 0 | 0 | 113.2 | V498 S500 L505 I523 V525 S526 R527 I532 S533 F553 A555 | V498-M529 HydrophobicContact CG1-CE 3.54Å; V498-M529 HydrophobicContact CG1-CG 4.43Å; V498-M529 HydrophobicContact CG1-SD 4.46Å; S500-M529 WeakPolarHBondContact OG-CA 3.39Å; L505-M529 HydrophobicContact CD1-CG 3.58Å; I523-M529 HydrophobicContact CG2-CE 4.31Å; V525-M529 HydrophobicContact CG1-SD 4.44Å; S526-M529 PolarHBondContact N-SD 3.03Å; S526-M529 VanDerWaalsContact O-CB 3.3Å; S526-M529 WeakPolarHBondContact O-CB 3.46Å; S526-M529 PolarHBondContact O-N 2.96Å; S526-M529 VanDerWaalsContact O-N 3.08Å; R527-M529 PolarHBondContact O-N 3.5Å; M529-I532 CarbonylContact O-C 3.59Å; M529-S533 WeakPolarHBondContact CA-OG 3.38Å; M529-S533 WeakPolarHBondContact CB-OG 3.41Å; M529-S533 PolarHBondContact O-OG 3.49Å; M529-F553 HydrophobicContact CE-CE2 4.09Å; M529-F553 HydrophobicContact CE-CZ 3.54Å; M529-A555 HydrophobicContact CB-CB 3.97Å; M529-A555 WeakPolarHBondContact O-CB 3.16Å |
| 530 | F | 86.9 | Confident | 90.7 | Very high | 6 Ų | 6 | 26.2 Ų | 26.2 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | trans | -88 | 140.4 | 174.6 | 172.9 | -103.8 | 0 | 0 | 0 | 110.7 | L158 N501 R527 Y528 Y554 A555 Y557 I613 V614 L617 | L158-F530 HydrophobicContact CD1-CD1 4.12Å; L158-F530 HydrophobicContact CD1-CE1 3.62Å; L158-F530 HydrophobicContact CG-CE1 4.2Å; N501-F530 PolarHBondContact ND2-O 3.18Å; N501-F530 VanDerWaalsContact ND2-O 3.12Å; N501-F530 PolarHBondContact OD1-O 3.44Å; R527-F530 WeakPolarHBondContact O-CB 3.43Å; R527-F530 PolarHBondContact O-N 3Å; Y528-F530 VanDerWaalsContact C-N 3.32Å; F530-Y554 HydrophobicContact CD2-CE2 4.18Å; F530-Y554 AromaticContact CE2-CE2 3.83Å; F530-Y554 HydrophobicContact CE2-CE2 3.83Å; F530-Y554 AromaticContact CE2-CZ 3.94Å; F530-A555 WeakPolarHBondContact CD2-O 3.4Å; F530-Y557 AromaticContact CD1-CD1 3.96Å; F530-Y557 HydrophobicContact CD1-CD1 3.96Å; F530-Y557 HydrophobicContact CD1-CE1 4.46Å; F530-Y557 HydrophobicContact CD1-CG 4.19Å; F530-Y557 AromaticContact CD2-CD1 3.53Å; F530-Y557 HydrophobicContact CD2-CD1 3.53Å; F530-Y557 HydrophobicContact CD2-CE1 4.29Å; F530-Y557 HydrophobicContact CD2-CG 4.23Å; F530-Y557 AromaticContact CE1-CD1 3.6Å; F530-Y557 HydrophobicContact CE1-CD1 3.6Å; F530-Y557 AromaticContact CE1-CE1 3.67Å; F530-Y557 HydrophobicContact CE1-CE1 3.67Å; F530-Y557 HydrophobicContact CE1-CG 4.15Å; F530-Y557 AromaticContact CE2-CD1 3.2Å; F530-Y557 HydrophobicContact CE2-CD1 3.2Å; F530-Y557 AromaticContact CE2-CE1 3.51Å; F530-Y557 HydrophobicContact CE2-CE1 3.51Å; F530-Y557 HydrophobicContact CE2-CG 4.25Å; F530-Y557 AromaticContact CG-CD1 3.94Å; F530-Y557 HydrophobicContact CG-CD1 3.94Å; F530-Y557 HydrophobicContact CG-CG 4.24Å; F530-Y557 AromaticContact CZ-CD1 3.24Å; F530-Y557 HydrophobicContact CZ-CD1 3.24Å; F530-Y557 AromaticContact CZ-CE1 3.14Å; F530-Y557 HydrophobicContact CZ-CE1 3.14Å; F530-Y557 HydrophobicContact CZ-CG 4.22Å; F530-I613 HydrophobicContact CZ-CG2 4.49Å; F530-V614 HydrophobicContact CE2-CG2 3.86Å; F530-V614 HydrophobicContact CZ-CG2 3.88Å; F530-L617 HydrophobicContact CD1-CD1 3.88Å; F530-L617 HydrophobicContact CE1-CD1 3.16Å; F530-L617 HydrophobicContact CZ-CD1 3.83Å | ||
| 531 | P | 86.9 | Confident | 90.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | cis | -83.2 | -40.5 | -0.4 | 32.6 | -35.7 | 0 | 0 | 0 | 115.4 | Y554 A555 V614 L617 M618 | P531-Y554 HydrophobicContact CB-CD2 4.38Å; P531-Y554 HydrophobicContact CB-CE2 4.14Å; P531-Y554 WeakPolarHBondContact O-CA 3.44Å; P531-Y554 WeakPolarHBondContact O-CD2 3.24Å; P531-A555 PolarHBondContact O-N 3.42Å; P531-V614 HydrophobicContact CB-CG1 4.16Å; P531-L617 HydrophobicContact CB-CB 4.49Å; P531-L617 HydrophobicContact CG-CB 3.65Å; P531-M618 HydrophobicContact CB-SD 4.44Å; P531-M618 HydrophobicContact CG-CG 4.39Å; P531-M618 HydrophobicContact CG-SD 4.48Å |
| 532 | I | 89.4 | Confident | 89.4 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 140.6 | -179.8 | -52.9 | 171.3 | 0 | 0 | 0 | 108.9 | S500 M529 T552 M618 E621 P627 | S500-I532 PolarHBondContact OG-O 2.98Å; S500-I532 VanDerWaalsContact OG-O 3.06Å; M529-I532 CarbonylContact O-C 3.59Å; I532-T552 HydrophobicContact CG2-CG2 3.45Å; I532-T552 VanDerWaalsContact CG2-CG2 3.45Å; I532-M618 HydrophobicContact CD1-CE 3.56Å; I532-M618 HydrophobicContact CD1-SD 3.31Å; I532-M618 WeakPolarHBondContact CD1-SD 3.3Å; I532-M618 HydrophobicContact CG1-CE 4.1Å; I532-M618 HydrophobicContact CG1-SD 3.29Å; I532-M618 WeakPolarHBondContact CG1-SD 3.48Å; I532-E621 HydrophobicContact CD1-CB 4.04Å; I532-P627 HydrophobicContact CG1-CG 4.25Å |
| 533 | S | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 147.5 | 164.7 | -75.2 | 0 | 0 | 0 | 0 | 112.1 | V499 S500 M529 T552 F553 | V499-S533 CarbonylContact O-C 3.54Å; V499-S533 VanDerWaalsContact O-CA 3.31Å; V499-S533 WeakPolarHBondContact O-CA 3.47Å; S500-S533 WeakPolarHBondContact CB-OG 3.33Å; S500-S533 PolarHBondContact OG-OG 2.67Å; M529-S533 WeakPolarHBondContact CA-OG 3.38Å; M529-S533 WeakPolarHBondContact CB-OG 3.41Å; M529-S533 PolarHBondContact O-OG 3.49Å; S533-T552 CarbonylContact O-C 3.5Å; S533-T552 WeakPolarHBondContact O-CA 3.47Å; S533-F553 VanDerWaalsContact CB-CZ 3.41Å; S533-F553 PolarHBondContact N-O 3.37Å; S533-F553 WeakPolarHBondContact O-CD1 3.24Å; S533-F553 PolarHBondContact O-N 2.87Å |
| 534 | H | 92.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 135.9 | 171 | -48.4 | -84.6 | 0 | 0 | 0 | 109.6 | V498 V499 L551 T552 S624 Q625 | V498-H534 CarbonylContact C-O 3.58Å; V498-H534 WeakPolarHBondContact CA-O 3.44Å; V499-H534 HydrophobicContact CB-CB 4.25Å; V499-H534 PolarHBondContact N-O 3.34Å; V499-H534 PolarHBondContact O-N 2.86Å; H534-L551 CarbonylContact C-O 3.57Å; H534-L551 WeakPolarHBondContact CA-O 3.45Å; H534-T552 PolarHBondContact CE1-OG1 3.23Å; H534-T552 PolarHBondContact ND1-OG1 2.76Å; H534-S624 WeakPolarHBondContact NE2-CB 3.49Å; H534-S624 PolarHBondContact NE2-OG 3.38Å; H534-Q625 PolarHBondContact CE1-O 3.35Å; H534-Q625 VanDerWaalsContact CE1-O 3.24Å |
| 535 | I | 94.1 | Very high | 87 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 116.1 | 165.6 | -68.7 | 157 | 0 | 0 | 0 | 107 | L468 I483 V497 V498 I523 S550 L551 F553 | L468-I535 HydrophobicContact CD1-CG2 4.12Å; L468-I535 VanDerWaalsContact CD1-O 3.31Å; L468-I535 WeakPolarHBondContact CD1-O 3.47Å; I483-I535 HydrophobicContact CD1-CD1 3.48Å; I483-I535 VanDerWaalsContact CD1-CD1 3.48Å; I483-I535 HydrophobicContact CG1-CD1 4.37Å; V497-I535 WeakPolarHBondContact O-CA 3.32Å; V498-I535 HydrophobicContact CG2-CG1 4.26Å; I523-I535 HydrophobicContact CD1-CD1 3.69Å; I523-I535 HydrophobicContact CD1-CG1 4.16Å; I535-S550 CarbonylContact O-C 3.45Å; I535-S550 VanDerWaalsContact O-CA 3.25Å; I535-S550 WeakPolarHBondContact O-CA 3.41Å; I535-L551 PolarHBondContact N-O 2.86Å; I535-L551 PolarHBondContact O-N 3.42Å; I535-F553 HydrophobicContact CD1-CD1 4.19Å; I535-F553 HydrophobicContact CD1-CE1 3.29Å; I535-F553 HydrophobicContact CD1-CZ 3.83Å; I535-F553 HydrophobicContact CG1-CE1 3.69Å; I535-F553 HydrophobicContact CG1-CZ 4.31Å |
| 536 | V | 94 | Very high | 86.9 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.7 | 177.8 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | Y496 V497 D549 M657 S660 L662 | Y496-V536 CarbonylContact C-O 3.6Å; Y496-V536 WeakPolarHBondContact CA-O 3.46Å; V497-V536 PolarHBondContact N-O 2.96Å; V497-V536 PolarHBondContact O-N 3.48Å; V536-D549 CarbonylContact C-O 3.49Å; V536-D549 WeakPolarHBondContact CA-O 3.36Å; V536-M657 HydrophobicContact CG1-CE 3.75Å; V536-M657 HydrophobicContact CG1-SD 3.71Å; V536-S660 WeakPolarHBondContact CG2-OG 3.45Å; V536-L662 HydrophobicContact CB-CD1 4.42Å; V536-L662 HydrophobicContact CG2-CD1 4.03Å |
| 537 | A | 93.9 | Very high | 86.9 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 146.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L466 L468 I494 H495 S548 D549 | L466-A537 VanDerWaalsContact CD2-C 3.47Å; L466-A537 HydrophobicContact CD2-CB 3.87Å; L466-A537 WeakPolarHBondContact CD2-O 3.3Å; L468-A537 HydrophobicContact CD1-CB 3.76Å; L468-A537 HydrophobicContact CD2-CB 3.77Å; L468-A537 HydrophobicContact CG-CB 4.08Å; I494-A537 HydrophobicContact CG2-CB 4.02Å; H495-A537 CarbonylContact O-C 3.55Å; H495-A537 VanDerWaalsContact O-CA 3.22Å; H495-A537 WeakPolarHBondContact O-CA 3.5Å; A537-S548 CarbonylContact O-C 3.54Å; A537-S548 VanDerWaalsContact O-CA 3.27Å; A537-S548 WeakPolarHBondContact O-CA 3.38Å; A537-D549 PolarHBondContact N-O 2.99Å; A537-D549 PolarHBondContact O-N 2.96Å |
| 538 | Y | 92.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 155 | 178.5 | 68.5 | -85.4 | 0 | 0 | 0 | 112.1 | V33 L35 S51 F53 H495 V497 I546 V547 M657 | V33-Y538 HydrophobicContact CB-CE2 4.26Å; V33-Y538 HydrophobicContact CG1-CE2 3.99Å; V33-Y538 HydrophobicContact CG2-CE2 4.16Å; L35-Y538 HydrophobicContact CD1-CD1 4.4Å; L35-Y538 HydrophobicContact CD1-CE1 3.73Å; S51-Y538 PolarHBondContact OG-OH 2.83Å; F53-Y538 HydrophobicContact CZ-CE2 4.03Å; H495-Y538 HydrophobicContact CB-CD1 4.05Å; H495-Y538 HydrophobicContact CB-CD2 4.26Å; H495-Y538 HydrophobicContact CB-CE1 3.55Å; H495-Y538 HydrophobicContact CB-CE2 3.79Å; H495-Y538 HydrophobicContact CB-CG 4.38Å; H495-Y538 VanDerWaalsContact CB-CZ 3.41Å; H495-Y538 PolarHBondContact N-O 3.3Å; H495-Y538 PolarHBondContact O-N 3.37Å; V497-Y538 HydrophobicContact CG2-CE1 4.47Å; Y538-I546 HydrophobicContact CD2-CG2 4.35Å; Y538-V547 WeakPolarHBondContact CA-O 3.42Å; Y538-M657 HydrophobicContact CD1-CE 4.49Å |
| 539 | F | 90.1 | Very high | 87.6 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 158.9 | 167.9 | 71.8 | -91.6 | 0 | 0 | 0 | 110.1 | L466 T487 Y489 T491 I494 K541 V547 | L466-F539 HydrophobicContact CB-CD1 4.44Å; L466-F539 HydrophobicContact CB-CE1 4.12Å; L466-F539 HydrophobicContact CD1-CD1 4.38Å; L466-F539 HydrophobicContact CD2-CD1 4.43Å; T487-F539 HydrophobicContact CG2-CD1 4.44Å; T487-F539 HydrophobicContact CG2-CE1 4.08Å; Y489-F539 HydrophobicContact CD1-CE2 4.12Å; T491-F539 HydrophobicContact CG2-CB 4.36Å; T491-F539 HydrophobicContact CG2-CD1 4.3Å; T491-F539 HydrophobicContact CG2-CD2 4.32Å; T491-F539 HydrophobicContact CG2-CG 4.08Å; I494-F539 HydrophobicContact CG1-CB 4.32Å; F539-K541 HydrophobicContact CE2-CB 4.32Å; F539-V547 HydrophobicContact CD1-CB 4.2Å; F539-V547 HydrophobicContact CE1-CB 3.66Å; F539-V547 HydrophobicContact CE1-CG1 3.83Å; F539-V547 HydrophobicContact CE1-CG2 4.31Å; F539-V547 HydrophobicContact CE2-CB 4.31Å; F539-V547 HydrophobicContact CE2-CG2 4.22Å; F539-V547 HydrophobicContact CZ-CB 3.72Å; F539-V547 HydrophobicContact CZ-CG1 4.1Å; F539-V547 HydrophobicContact CZ-CG2 3.83Å; F539-V547 PolarHBondContact N-O 3.24Å; F539-V547 VanDerWaalsContact N-O 3.09Å; F539-V547 PolarHBondContact O-N 3.21Å; F539-V547 VanDerWaalsContact O-N 3.09Å |
| 540 | I | 86.7 | Confident | 87.7 | Confident | 41 Ų | 41 | 20 Ų | 20 | 21% | 0.21 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.3 | 176.1 | -55.6 | 179.6 | 0 | 0 | 0 | 107.8 | V33 F53 E545 I546 | V33-I540 HydrophobicContact CG2-CD1 4.16Å; F53-I540 HydrophobicContact CD1-CD1 3.97Å; F53-I540 HydrophobicContact CD2-CD1 3.63Å; F53-I540 HydrophobicContact CE1-CD1 3.74Å; F53-I540 HydrophobicContact CE1-CG1 4.38Å; F53-I540 HydrophobicContact CE2-CD1 3.45Å; F53-I540 VanDerWaalsContact CE2-CD1 3.45Å; F53-I540 HydrophobicContact CG-CD1 3.92Å; F53-I540 HydrophobicContact CZ-CD1 3.52Å; F53-I540 HydrophobicContact CZ-CG1 4.3Å; I540-E545 WeakPolarHBondContact CA-O 3.16Å; I540-I546 HydrophobicContact CG1-CG1 4.11Å |
| 541 | K | 82.2 | Confident | 88 | Confident | 31 Ų | 31 | 20 Ų | 20 | 14% | 0.135 | 11% | 0.11 | C | C | . | . | trans | -79.6 | 157.7 | 173.3 | -167.4 | 178.5 | -173.7 | -177.1 | 0 | 110.3 | S462 A464 Y489 F539 N543 S544 E545 | S462-K541 WeakPolarHBondContact OG-CD 3.38Å; S462-K541 PolarHBondContact OG-NZ 2.88Å; A464-K541 HydrophobicContact CB-CD 4.45Å; Y489-K541 HydrophobicContact CD1-CG 4.25Å; Y489-K541 HydrophobicContact CE1-CD 4.44Å; Y489-K541 HydrophobicContact CE1-CG 3.79Å; Y489-K541 VanDerWaalsContact CE2-CE 3.45Å; F539-K541 HydrophobicContact CE2-CB 4.32Å; K541-N543 PolarHBondContact O-N 2.87Å; K541-S544 WeakPolarHBondContact O-CA 3.32Å; K541-S544 PolarHBondContact O-N 3.41Å; K541-E545 HydrophobicContact CB-CB 4.15Å; K541-E545 PolarHBondContact N-O 2.95Å | ||
| 542 | D | 74.7 | Confident | 88.3 | Confident | 135 Ų | 135 | 20 Ų | 20 | 72% | 0.722 | 11% | 0.11 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -27.1 | -179.9 | -53.6 | -51.9 | 0 | 0 | 0 | 114.3 | Y489 S544 | Y489-D542 PolarHBondContact OH-OD2 3.45Å; D542-S544 PolarHBondContact O-N 2.96Å |
| 543 | N | 68.7 | Low | 88.4 | Confident | 122 Ų | 122 | 20 Ų | 20 | 65% | 0.652 | 11% | 0.109 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 20.8 | 175.1 | -69.2 | 2.1 | 0 | 0 | 0 | 113.5 | K541 E545 | K541-N543 PolarHBondContact O-N 2.87Å; N543-E545 PolarHBondContact O-N 3.47Å |
| 544 | S | 76.3 | Confident | 88.4 | Confident | 48 Ų | 48 | 20.9 Ų | 20.9 | 34% | 0.336 | 11% | 0.113 | S | C | . | . | S | Bend | trans | 57.4 | 25.2 | -172.4 | 67.9 | 0 | 0 | 0 | 0 | 114.3 | K541 D542 A668 N669 | K541-S544 WeakPolarHBondContact O-CA 3.32Å; K541-S544 PolarHBondContact O-N 3.41Å; D542-S544 PolarHBondContact O-N 2.96Å; S544-A668 CarbonylContact O-C 3.59Å; S544-A668 WeakPolarHBondContact O-CB 3.3Å; S544-N669 CarbonylContact O-C 3.59Å; S544-N669 WeakPolarHBondContact O-CA 3.5Å; S544-N669 PolarHBondContact O-N 2.86Å |
| 545 | E | 85.4 | Confident | 88.3 | Confident | 9 Ų | 9 | 20.9 Ų | 20.9 | 4% | 0.042 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 125.2 | 176.3 | -172.5 | -175.9 | -175.3 | 0 | 0 | 111.1 | S460 Y461 S462 I540 K541 N543 V547 N669 T671 | S460-E545 PolarHBondContact OG-OE1 3.26Å; Y461-E545 PolarHBondContact N-OE1 2.82Å; S462-E545 WeakPolarHBondContact CB-OE2 3.46Å; S462-E545 PolarHBondContact N-OE2 3.31Å; S462-E545 PolarHBondContact OG-OE2 3Å; I540-E545 WeakPolarHBondContact CA-O 3.16Å; K541-E545 HydrophobicContact CB-CB 4.15Å; K541-E545 PolarHBondContact N-O 2.95Å; N543-E545 PolarHBondContact O-N 3.47Å; E545-V547 HydrophobicContact CG-CG2 4.36Å; E545-N669 CarbonylContact C-O 3.56Å; E545-N669 WeakPolarHBondContact CA-O 3.2Å; E545-T671 HydrophobicContact CG-CG2 4.45Å; E545-T671 VanDerWaalsContact OE1-CG2 3.3Å; E545-T671 WeakPolarHBondContact OE1-CG2 3.23Å |
| 546 | I | 88.6 | Confident | 88 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 119 | 169.8 | -64.7 | 163.9 | 0 | 0 | 0 | 109.9 | V33 Y538 I540 T653 I664 T666 A668 N669 F670 | V33-I546 HydrophobicContact CG2-CD1 4.02Å; Y538-I546 HydrophobicContact CD2-CG2 4.35Å; I540-I546 HydrophobicContact CG1-CG1 4.11Å; I546-T653 HydrophobicContact CB-CG2 4.35Å; I546-T653 HydrophobicContact CG2-CG2 3.84Å; I546-T653 PolarHBondContact O-OG1 3.23Å; I546-I664 HydrophobicContact CD1-CD1 4.08Å; I546-T666 HydrophobicContact CD1-CG2 3.61Å; I546-A668 HydrophobicContact CD1-CB 3.74Å; I546-A668 HydrophobicContact CG1-CB 3.9Å; I546-N669 PolarHBondContact N-O 2.92Å; I546-F670 HydrophobicContact CB-CB 4.08Å; I546-F670 HydrophobicContact CD1-CB 4.4Å |
| 547 | V | 89.4 | Confident | 87.4 | Confident | 8 Ų | 8 | 22.5 Ų | 22.5 | 5% | 0.048 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123.1 | 172.7 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | A464 L466 Y538 F539 E545 | A464-V547 HydrophobicContact CB-CG2 3.87Å; A464-V547 WeakPolarHBondContact O-CG1 3.41Å; L466-V547 HydrophobicContact CB-CG1 3.89Å; Y538-V547 WeakPolarHBondContact CA-O 3.42Å; F539-V547 HydrophobicContact CD1-CB 4.2Å; F539-V547 HydrophobicContact CE1-CB 3.66Å; F539-V547 HydrophobicContact CE1-CG1 3.83Å; F539-V547 HydrophobicContact CE1-CG2 4.31Å; F539-V547 HydrophobicContact CE2-CB 4.31Å; F539-V547 HydrophobicContact CE2-CG2 4.22Å; F539-V547 HydrophobicContact CZ-CB 3.72Å; F539-V547 HydrophobicContact CZ-CG1 4.1Å; F539-V547 HydrophobicContact CZ-CG2 3.83Å; F539-V547 PolarHBondContact N-O 3.24Å; F539-V547 VanDerWaalsContact N-O 3.09Å; F539-V547 PolarHBondContact O-N 3.21Å; F539-V547 VanDerWaalsContact O-N 3.09Å; E545-V547 HydrophobicContact CG-CG2 4.36Å |
| 548 | S | 92.1 | Very high | 86.4 | Confident | 9 Ų | 9 | 23.4 Ų | 23.4 | 6% | 0.063 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 159.9 | -178 | 61.4 | 0 | 0 | 0 | 0 | 113.7 | A537 T653 T656 | A537-S548 CarbonylContact O-C 3.54Å; A537-S548 VanDerWaalsContact O-CA 3.27Å; A537-S548 WeakPolarHBondContact O-CA 3.38Å; S548-T653 WeakPolarHBondContact OG-CA 3.45Å; S548-T653 WeakPolarHBondContact OG-CG2 3.36Å; S548-T656 PolarHBondContact OG-OG1 2.87Å |
| 549 | D | 92.5 | Very high | 85.6 | Confident | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.011 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 157.6 | 164.6 | -168.4 | 24.5 | 0 | 0 | 0 | 110.9 | K368 L466 Q467 L468 V536 A537 | K368-D549 IonicContact NZ-OD1 3.88Å; K368-D549 PolarHBondContact NZ-OD1 2.83Å; K368-D549 IonicContact NZ-OD2 3.89Å; K368-D549 PolarHBondContact NZ-OD2 3.41Å; L466-D549 HydrophobicContact CB-CB 4.4Å; L466-D549 HydrophobicContact CD2-CB 4.3Å; L466-D549 HydrophobicContact CG-CB 4.16Å; L466-D549 WeakPolarHBondContact O-CB 3.43Å; Q467-D549 WeakPolarHBondContact CA-OD2 3.38Å; L468-D549 HydrophobicContact CG-CB 4.19Å; L468-D549 PolarHBondContact N-OD2 2.98Å; V536-D549 CarbonylContact C-O 3.49Å; V536-D549 WeakPolarHBondContact CA-O 3.36Å; A537-D549 PolarHBondContact N-O 2.99Å; A537-D549 PolarHBondContact O-N 2.96Å |
| 550 | S | 93.6 | Very high | 85 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 142 | 171.1 | 76.9 | 0 | 0 | 0 | 0 | 112.4 | I535 S647 S648 | I535-S550 CarbonylContact O-C 3.45Å; I535-S550 VanDerWaalsContact O-CA 3.25Å; I535-S550 WeakPolarHBondContact O-CA 3.41Å; S550-S647 WeakPolarHBondContact O-CA 3.41Å; S550-S648 PolarHBondContact O-N 3.38Å; S550-S648 WeakPolarHBondContact OG-CB 3.32Å; S550-S648 PolarHBondContact OG-OG 2.88Å; S550-S648 VanDerWaalsContact OG-OG 3.09Å |
| 551 | L | 93.2 | Very high | 84.8 | Confident | 6 Ų | 6 | 28.6 Ų | 28.6 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 117.2 | 171.2 | -178.5 | 71.9 | 0 | 0 | 0 | 109.1 | L468 T470 M481 H534 I535 P645 | L468-L551 HydrophobicContact CB-CB 3.91Å; L468-L551 HydrophobicContact CD1-CB 4.14Å; T470-L551 HydrophobicContact CG2-CD1 4.43Å; T470-L551 HydrophobicContact CG2-CD2 4.01Å; M481-L551 HydrophobicContact CE-CD2 3.87Å; H534-L551 CarbonylContact C-O 3.57Å; H534-L551 WeakPolarHBondContact CA-O 3.45Å; I535-L551 PolarHBondContact N-O 2.86Å; I535-L551 PolarHBondContact O-N 3.42Å; L551-P645 HydrophobicContact CD1-CB 4.35Å |
| 552 | T | 92.8 | Very high | 85 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 138.2 | 173.8 | -53 | 0 | 0 | 0 | 0 | 109.8 | I532 S533 H534 Q625 P627 P645 T646 | I532-T552 HydrophobicContact CG2-CG2 3.45Å; I532-T552 VanDerWaalsContact CG2-CG2 3.45Å; S533-T552 CarbonylContact O-C 3.5Å; S533-T552 WeakPolarHBondContact O-CA 3.47Å; H534-T552 PolarHBondContact CE1-OG1 3.23Å; H534-T552 PolarHBondContact ND1-OG1 2.76Å; T552-Q625 WeakPolarHBondContact CG2-O 3.39Å; T552-P627 HydrophobicContact CG2-CB 4.16Å; T552-P645 CarbonylContact O-C 3.52Å; T552-P645 VanDerWaalsContact O-CA 3.23Å; T552-P645 WeakPolarHBondContact O-CA 3.21Å; T552-T646 WeakPolarHBondContact CB-OG1 3.45Å; T552-T646 PolarHBondContact N-O 2.91Å; T552-T646 PolarHBondContact O-N 2.9Å |
| 553 | F | 92.1 | Very high | 85.7 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 162.8 | 176.1 | 61.5 | -83 | 0 | 0 | 0 | 111.6 | P475 M481 M529 S533 I535 A555 P645 | P475-F553 HydrophobicContact CB-CD2 4.43Å; P475-F553 HydrophobicContact CG-CD2 3.49Å; P475-F553 VanDerWaalsContact CG-CD2 3.49Å; P475-F553 HydrophobicContact CG-CE2 4.12Å; P475-F553 HydrophobicContact CG-CG 4.32Å; M481-F553 HydrophobicContact CE-CB 4.15Å; M481-F553 HydrophobicContact CE-CD1 3.84Å; M481-F553 HydrophobicContact CE-CD2 4.31Å; M481-F553 HydrophobicContact CE-CE1 4.36Å; M481-F553 HydrophobicContact CE-CG 3.81Å; M481-F553 HydrophobicContact SD-CD1 4.03Å; M481-F553 HydrophobicContact SD-CD2 3.81Å; M481-F553 HydrophobicContact SD-CE1 4.07Å; M481-F553 HydrophobicContact SD-CE2 3.79Å; M481-F553 HydrophobicContact SD-CG 3.9Å; M481-F553 HydrophobicContact SD-CZ 3.92Å; M529-F553 HydrophobicContact CE-CE2 4.09Å; M529-F553 HydrophobicContact CE-CZ 3.54Å; S533-F553 VanDerWaalsContact CB-CZ 3.41Å; S533-F553 PolarHBondContact N-O 3.37Å; S533-F553 WeakPolarHBondContact O-CD1 3.24Å; S533-F553 PolarHBondContact O-N 2.87Å; I535-F553 HydrophobicContact CD1-CD1 4.19Å; I535-F553 HydrophobicContact CD1-CE1 3.29Å; I535-F553 HydrophobicContact CD1-CZ 3.83Å; I535-F553 HydrophobicContact CG1-CE1 3.69Å; I535-F553 HydrophobicContact CG1-CZ 4.31Å; F553-A555 HydrophobicContact CE2-CB 4.48Å; F553-P645 HydrophobicContact CB-CB 4.17Å |
| 554 | Y | 91.6 | Very high | 86.8 | Confident | 19 Ų | 19 | 23.6 Ų | 23.6 | 8% | 0.075 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 127.3 | 176.3 | 172.2 | -99.4 | 0 | 0 | 0 | 110.6 | P475 F530 P531 N556 E610 V614 Y643 | P475-Y554 WeakPolarHBondContact CD-O 3.32Å; P475-Y554 WeakPolarHBondContact CG-O 3.39Å; F530-Y554 HydrophobicContact CD2-CE2 4.18Å; F530-Y554 AromaticContact CE2-CE2 3.83Å; F530-Y554 HydrophobicContact CE2-CE2 3.83Å; F530-Y554 AromaticContact CE2-CZ 3.94Å; P531-Y554 HydrophobicContact CB-CD2 4.38Å; P531-Y554 HydrophobicContact CB-CE2 4.14Å; P531-Y554 WeakPolarHBondContact O-CA 3.44Å; P531-Y554 WeakPolarHBondContact O-CD2 3.24Å; Y554-N556 HydrophobicContact CE1-CB 4.19Å; Y554-E610 PolarHBondContact OH-OE1 3.3Å; Y554-V614 HydrophobicContact CE2-CG1 3.92Å; Y554-V614 HydrophobicContact CE2-CG2 3.89Å; Y554-V614 WeakPolarHBondContact OH-CG2 3.42Å; Y554-Y643 AromaticContact CD1-CD2 3.53Å; Y554-Y643 HydrophobicContact CD1-CD2 3.53Å; Y554-Y643 HydrophobicContact CD1-CE2 4.23Å; Y554-Y643 AromaticContact CD1-CG 3.91Å; Y554-Y643 HydrophobicContact CD1-CG 3.91Å; Y554-Y643 HydrophobicContact CD2-CD1 4.06Å; Y554-Y643 AromaticContact CD2-CD2 3.91Å; Y554-Y643 HydrophobicContact CD2-CD2 3.91Å; Y554-Y643 HydrophobicContact CD2-CE1 4.31Å; Y554-Y643 HydrophobicContact CD2-CE2 4.14Å; Y554-Y643 AromaticContact CD2-CG 3.89Å; Y554-Y643 HydrophobicContact CD2-CG 3.89Å; Y554-Y643 AromaticContact CE1-CD2 3.73Å; Y554-Y643 HydrophobicContact CE1-CD2 3.73Å; Y554-Y643 HydrophobicContact CE1-CE2 4Å; Y554-Y643 HydrophobicContact CE2-CD2 4.11Å; Y554-Y643 AromaticContact CE2-CE2 3.93Å; Y554-Y643 HydrophobicContact CE2-CE2 3.93Å; Y554-Y643 HydrophobicContact CG-CD1 4.14Å; Y554-Y643 AromaticContact CG-CD2 3.62Å; Y554-Y643 HydrophobicContact CG-CD2 3.62Å; Y554-Y643 HydrophobicContact CG-CE2 4.29Å; Y554-Y643 AromaticContact CG-CG 3.56Å; Y554-Y643 HydrophobicContact CG-CG 3.56Å; Y554-Y643 AromaticContact CZ-CE2 3.84Å |
| 555 | A | 89.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -99.4 | 112.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V525 M529 F530 P531 F553 Y557 | V525-A555 HydrophobicContact CG1-CB 3.74Å; M529-A555 HydrophobicContact CB-CB 3.97Å; M529-A555 WeakPolarHBondContact O-CB 3.16Å; F530-A555 WeakPolarHBondContact CD2-O 3.4Å; P531-A555 PolarHBondContact O-N 3.42Å; F553-A555 HydrophobicContact CE2-CB 4.48Å; A555-Y557 PolarHBondContact O-N 2.88Å | ||
| 556 | N | 87.1 | Confident | 87.8 | Confident | 27 Ų | 27 | 25 Ų | 25 | 14% | 0.144 | 13% | 0.125 | C | C | . | . | B | Isolated β-bridge | trans | -77.9 | 120.3 | -175 | -172 | -20.6 | 0 | 0 | 0 | 113.2 | P475 K476 V477 Y554 T558 | P475-N556 PolarHBondContact O-N 2.9Å; K476-N556 HydrophobicContact CG-CB 4.41Å; V477-N556 WeakPolarHBondContact CG2-O 3.44Å; V477-N556 PolarHBondContact N-O 2.73Å; Y554-N556 HydrophobicContact CE1-CB 4.19Å; N556-T558 WeakPolarHBondContact OD1-CB 3.47Å; N556-T558 WeakPolarHBondContact OD1-CG2 3.32Å; N556-T558 PolarHBondContact OD1-N 2.9Å; N556-T558 PolarHBondContact OD1-OG1 3.09Å |
| 557 | Y | 83.1 | Confident | 87.9 | Confident | 10 Ų | 10 | 25.5 Ų | 25.5 | 4% | 0.039 | 13% | 0.128 | C | C | . | . | trans | -96.6 | -9.7 | -178.8 | 82.7 | -75.5 | 0 | 0 | 0 | 115.4 | L158 F530 A555 H559 L560 E610 L789 | L158-Y557 HydrophobicContact CD1-CD2 3.74Å; L158-Y557 HydrophobicContact CD1-CE1 4.31Å; L158-Y557 HydrophobicContact CD1-CE2 3.35Å; L158-Y557 HydrophobicContact CD1-CG 4.35Å; F530-Y557 AromaticContact CD1-CD1 3.96Å; F530-Y557 HydrophobicContact CD1-CD1 3.96Å; F530-Y557 HydrophobicContact CD1-CE1 4.46Å; F530-Y557 HydrophobicContact CD1-CG 4.19Å; F530-Y557 AromaticContact CD2-CD1 3.53Å; F530-Y557 HydrophobicContact CD2-CD1 3.53Å; F530-Y557 HydrophobicContact CD2-CE1 4.29Å; F530-Y557 HydrophobicContact CD2-CG 4.23Å; F530-Y557 AromaticContact CE1-CD1 3.6Å; F530-Y557 HydrophobicContact CE1-CD1 3.6Å; F530-Y557 AromaticContact CE1-CE1 3.67Å; F530-Y557 HydrophobicContact CE1-CE1 3.67Å; F530-Y557 HydrophobicContact CE1-CG 4.15Å; F530-Y557 AromaticContact CE2-CD1 3.2Å; F530-Y557 HydrophobicContact CE2-CD1 3.2Å; F530-Y557 AromaticContact CE2-CE1 3.51Å; F530-Y557 HydrophobicContact CE2-CE1 3.51Å; F530-Y557 HydrophobicContact CE2-CG 4.25Å; F530-Y557 AromaticContact CG-CD1 3.94Å; F530-Y557 HydrophobicContact CG-CD1 3.94Å; F530-Y557 HydrophobicContact CG-CG 4.24Å; F530-Y557 AromaticContact CZ-CD1 3.24Å; F530-Y557 HydrophobicContact CZ-CD1 3.24Å; F530-Y557 AromaticContact CZ-CE1 3.14Å; F530-Y557 HydrophobicContact CZ-CE1 3.14Å; F530-Y557 HydrophobicContact CZ-CG 4.22Å; A555-Y557 PolarHBondContact O-N 2.88Å; Y557-H559 PolarHBondContact O-N 2.62Å; Y557-L560 WeakPolarHBondContact O-CG 3.47Å; Y557-L560 PolarHBondContact O-N 3.07Å; Y557-L560 VanDerWaalsContact O-N 3.13Å; Y557-E610 HydrophobicContact CE1-CG 4.35Å; Y557-L789 WeakPolarHBondContact CE2-O 3.45Å | ||
| 558 | T | 73.2 | Confident | 87.9 | Confident | 21 Ų | 21 | 27.5 Ų | 27.5 | 13% | 0.129 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -17.8 | -165.6 | 56.3 | 0 | 0 | 0 | 0 | 115.4 | N556 E610 Q793 | N556-T558 WeakPolarHBondContact OD1-CB 3.47Å; N556-T558 WeakPolarHBondContact OD1-CG2 3.32Å; N556-T558 PolarHBondContact OD1-N 2.9Å; N556-T558 PolarHBondContact OD1-OG1 3.09Å; T558-E610 HydrophobicContact CG2-CG 4.24Å; T558-E610 WeakPolarHBondContact CG2-OE1 3.39Å; T558-E610 WeakPolarHBondContact CG2-OE2 3.38Å; T558-Q793 PolarHBondContact OG1-NE2 3.28Å |
| 559 | H | 74.1 | Confident | 87.5 | Confident | 102 Ų | 102 | 29.8 Ų | 29.8 | 47% | 0.472 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 1.2 | -177.3 | -66.5 | -67 | 0 | 0 | 0 | 114.8 | K476 Y557 Q793 | K476-H559 PolarHBondContact NZ-NE2 2.83Å; Y557-H559 PolarHBondContact O-N 2.62Å; H559-Q793 PolarHBondContact CE1-NE2 2.9Å |
| 560 | L | 78.3 | Confident | 86.6 | Confident | 43 Ų | 43 | 33 Ų | 33 | 23% | 0.225 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -67.2 | -45.3 | -178.3 | -76 | 174.9 | 0 | 0 | 0 | 113.6 | V477 R527 Y557 | V477-L560 HydrophobicContact CB-CD2 4.43Å; V477-L560 HydrophobicContact CB-CG 4.48Å; V477-L560 HydrophobicContact CG1-CD1 4.23Å; V477-L560 HydrophobicContact CG1-CD2 3.82Å; V477-L560 HydrophobicContact CG1-CG 4.25Å; R527-L560 HydrophobicContact CB-CD1 4.27Å; Y557-L560 WeakPolarHBondContact O-CG 3.47Å; Y557-L560 PolarHBondContact O-N 3.07Å; Y557-L560 VanDerWaalsContact O-N 3.13Å |
| 561 | N | 82.8 | Confident | 86.1 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.032 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -128.8 | 107.7 | 176.6 | -178.9 | 14.7 | 0 | 0 | 0 | 107.8 | V563 A584 K585 S782 L787 A790 | N561-V563 VanDerWaalsContact C-N 3.31Å; N561-V563 PolarHBondContact O-N 2.79Å; N561-A584 WeakPolarHBondContact OD1-CA 3.49Å; N561-K585 PolarHBondContact OD1-N 3.03Å; N561-S782 WeakPolarHBondContact ND2-CB 3.43Å; N561-S782 PolarHBondContact ND2-OG 3.07Å; N561-L787 HydrophobicContact CB-CD1 3.9Å; N561-A790 HydrophobicContact CB-CB 3.64Å |
| 562 | N | 84.6 | Confident | 85.6 | Confident | 96 Ų | 96 | 40 Ų | 40 | 51% | 0.513 | 21% | 0.211 | S | C | . | . | trans | -77.1 | 84 | -175.7 | -174.1 | 19.3 | 0 | 0 | 0 | 110.2 | Q564 | N562-Q564 PolarHBondContact ND2-NE2 2.98Å; N562-Q564 PolarHBondContact O-N 3.02Å; N562-Q564 WeakPolarHBondContact OD1-CG 3.48Å; N562-Q564 PolarHBondContact OD1-NE2 3.1Å | ||
| 563 | V | 90.2 | Very high | 85.1 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | trans | -74 | 111.4 | 175.2 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | N561 Y583 A584 I590 A780 S782 A790 M792 | N561-V563 VanDerWaalsContact C-N 3.31Å; N561-V563 PolarHBondContact O-N 2.79Å; V563-Y583 WeakPolarHBondContact CA-O 3.5Å; V563-A584 HydrophobicContact CG2-CB 4.42Å; V563-I590 HydrophobicContact CG1-CD1 4.19Å; V563-A780 HydrophobicContact CG1-CB 4.08Å; V563-S782 VanDerWaalsContact CG2-CB 3.45Å; V563-A790 HydrophobicContact CG2-CB 3.85Å; V563-M792 HydrophobicContact CG1-CB 4.23Å | ||
| 564 | Q | 91.9 | Very high | 84.5 | Confident | 82 Ų | 82 | 48.5 Ų | 48.5 | 38% | 0.383 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 148 | 176.5 | -57.8 | -170.8 | -15.7 | 0 | 0 | 110.6 | N562 G582 Y583 | N562-Q564 PolarHBondContact ND2-NE2 2.98Å; N562-Q564 PolarHBondContact O-N 3.02Å; N562-Q564 WeakPolarHBondContact OD1-CG 3.48Å; N562-Q564 PolarHBondContact OD1-NE2 3.1Å; Q564-G582 CarbonylContact O-C 3.57Å; Q564-G582 WeakPolarHBondContact O-CA 3.37Å; Q564-Y583 HydrophobicContact CB-CD2 4.15Å; Q564-Y583 PolarHBondContact N-O 3.34Å; Q564-Y583 PolarHBondContact O-N 2.88Å |
| 565 | M | 90.8 | Very high | 84.2 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 132.5 | 172.3 | 179.6 | 172.1 | 164.3 | 0 | 0 | 109.1 | V567 I580 R581 F592 L751 A778 M792 | M565-V567 HydrophobicContact CE-CG2 3.51Å; M565-V567 HydrophobicContact CG-CG2 4.47Å; M565-I580 HydrophobicContact CE-CB 4.46Å; M565-I580 HydrophobicContact CE-CD1 4.24Å; M565-I580 HydrophobicContact CE-CG1 3.99Å; M565-I580 HydrophobicContact CE-CG2 3.7Å; M565-I580 HydrophobicContact CG-CG2 4.23Å; M565-I580 HydrophobicContact SD-CG2 4.3Å; M565-R581 CarbonylContact C-O 3.59Å; M565-R581 WeakPolarHBondContact CA-O 3.32Å; M565-F592 HydrophobicContact CG-CE1 4.49Å; M565-F592 HydrophobicContact SD-CD1 3.81Å; M565-F592 HydrophobicContact SD-CE1 4.23Å; M565-L751 HydrophobicContact CE-CD2 3.91Å; M565-A778 HydrophobicContact CE-CB 3.59Å; M565-A778 HydrophobicContact SD-CB 3.66Å; M565-M792 HydrophobicContact CB-SD 3.73Å |
| 566 | Q | 91.9 | Very high | 83.9 | Confident | 76 Ų | 76 | 50.7 Ų | 50.7 | 36% | 0.355 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 133.3 | 170.8 | -65.1 | 179.2 | 3.4 | 0 | 0 | 108.7 | R581 Y583 | Q566-R581 HydrophobicContact CB-CB 4.3Å; Q566-R581 PolarHBondContact N-O 3.12Å; Q566-R581 PolarHBondContact O-N 3.5Å; Q566-Y583 HydrophobicContact CB-CE2 4.34Å; Q566-Y583 HydrophobicContact CG-CE2 3.89Å; Q566-Y583 PolarHBondContact OE1-OH 3.32Å |
| 567 | V | 90.2 | Very high | 84 | Confident | 10 Ų | 10 | 51.2 Ų | 51.2 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 109.1 | 176.3 | -177 | 0 | 0 | 0 | 0 | 108.6 | M565 R569 L578 Y796 F798 | M565-V567 HydrophobicContact CE-CG2 3.51Å; M565-V567 HydrophobicContact CG-CG2 4.47Å; V567-R569 HydrophobicContact CG1-CG 4.42Å; V567-L578 HydrophobicContact CG1-CB 4.22Å; V567-L578 HydrophobicContact CG1-CD1 4.22Å; V567-L578 HydrophobicContact CG1-CD2 3.96Å; V567-L578 HydrophobicContact CG1-CG 4.38Å; V567-Y796 HydrophobicContact CB-CD1 4.29Å; V567-Y796 HydrophobicContact CB-CE1 3.68Å; V567-Y796 HydrophobicContact CG2-CD1 3.71Å; V567-Y796 HydrophobicContact CG2-CE1 3.64Å; V567-F798 HydrophobicContact CG1-CD2 4.46Å; V567-F798 HydrophobicContact CG2-CD1 4.37Å; V567-F798 HydrophobicContact CG2-CE1 4.47Å |
| 568 | N | 89.6 | Confident | 84.4 | Confident | 50 Ų | 50 | 50.8 Ų | 50.8 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 112.9 | 176.2 | -81.9 | -16.7 | 0 | 0 | 0 | 110.1 | E579 | N568-E579 HydrophobicContact CB-CB 4.02Å; N568-E579 HydrophobicContact CB-CG 4.48Å; N568-E579 PolarHBondContact N-O 2.88Å; N568-E579 PolarHBondContact ND2-OE2 2.85Å; N568-E579 VanDerWaalsContact ND2-OE2 3.17Å; N568-E579 PolarHBondContact O-N 2.8Å; N568-E579 VanDerWaalsContact O-N 3.11Å |
| 569 | R | 83.2 | Confident | 85.3 | Confident | 57 Ų | 57 | 50.4 Ų | 50.4 | 22% | 0.215 | 27% | 0.267 | C | S | . | . | trans | -95.1 | -19.1 | 175.6 | -58.3 | -174.3 | 62.7 | -162.2 | -0 | 113.8 | V567 K571 Q575 L578 S799 T801 | V567-R569 HydrophobicContact CG1-CG 4.42Å; R569-K571 PolarHBondContact O-N 3.5Å; R569-Q575 VanDerWaalsContact NH2-CD 3.32Å; R569-L578 HydrophobicContact CB-CD2 4.39Å; R569-L578 HydrophobicContact CG-CD2 3.63Å; R569-S799 PolarHBondContact NE-O 2.89Å; R569-S799 PolarHBondContact NH1-O 3.03Å; R569-S799 PolarHBondContact NH2-O 2.94Å; R569-T801 PolarHBondContact NH2-O 2.91Å | ||
| 570 | G | 75.1 | Confident | 86.1 | Confident | 71 Ų | 71 | 45.5 Ų | 45.5 | 73% | 0.732 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -11.6 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 571 | K | 82.1 | Confident | 86.9 | Confident | 117 Ų | 117 | 46.4 Ų | 46.4 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -33.6 | -179.2 | -72.8 | -171.6 | 178.5 | 172.6 | 0 | 112.8 | R569 E579 | R569-K571 PolarHBondContact O-N 3.5Å; K571-E579 VanDerWaalsContact CD-OE2 3.27Å; K571-E579 WeakPolarHBondContact CD-OE2 3.39Å; K571-E579 WeakPolarHBondContact CE-OE2 3.46Å; K571-E579 IonicContact NZ-OE1 3.57Å; K571-E579 PolarHBondContact NZ-OE1 3.43Å; K571-E579 IonicContact NZ-OE2 3.25Å; K571-E579 PolarHBondContact NZ-OE2 3.31Å |
| 572 | D | 83.4 | Confident | 87.4 | Confident | 35 Ų | 35 | 46.1 Ų | 46.1 | 19% | 0.187 | 24% | 0.244 | C | C | . | . | trans | -100.5 | 109.5 | 175.5 | -177.8 | 4.6 | 0 | 0 | 0 | 108.9 | N574 Q575 D576 T577 | D572-N574 PolarHBondContact O-N 2.81Å; D572-N574 PolarHBondContact OD1-N 2.69Å; D572-N574 VanDerWaalsContact OD1-N 3.08Å; D572-Q575 PolarHBondContact O-N 2.94Å; D572-Q575 VanDerWaalsContact O-N 3.07Å; D572-D576 PolarHBondContact OD2-N 2.78Å; D572-T577 WeakPolarHBondContact CB-OG1 3.34Å; D572-T577 PolarHBondContact OD2-N 2.87Å; D572-T577 PolarHBondContact OD2-OG1 2.79Å | ||
| 573 | L | 81.7 | Confident | 87.8 | Confident | 136 Ų | 136 | 44.2 Ų | 44.2 | 71% | 0.712 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -29.6 | -179.3 | -69 | 170.4 | 0 | 0 | 0 | 112 | Q575 | L573-Q575 VanDerWaalsContact C-N 3.32Š|
| 574 | N | 80.8 | Confident | 88 | Confident | 45 Ų | 45 | 44.5 Ų | 44.5 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -17.6 | 177.7 | -68.9 | -11.5 | 0 | 0 | 0 | 112.6 | D572 D576 G907 S908 | D572-N574 PolarHBondContact O-N 2.81Å; D572-N574 PolarHBondContact OD1-N 2.69Å; D572-N574 VanDerWaalsContact OD1-N 3.08Å; N574-D576 VanDerWaalsContact C-N 3.26Å; N574-D576 PolarHBondContact O-N 2.69Å; N574-G907 WeakPolarHBondContact OD1-CA 3.06Å; N574-S908 PolarHBondContact ND2-O 3.08Å; N574-S908 PolarHBondContact OD1-N 3.45Å |
| 575 | Q | 83.6 | Confident | 88 | Confident | 23 Ų | 23 | 43.2 Ų | 43.2 | 11% | 0.107 | 23% | 0.226 | C | C | . | . | trans | 60.1 | 31.7 | -175.9 | -51.2 | 180 | -31.1 | 0 | 0 | 113.7 | R569 D572 L573 T801 R802 | R569-Q575 VanDerWaalsContact NH2-CD 3.32Å; D572-Q575 PolarHBondContact O-N 2.94Å; D572-Q575 VanDerWaalsContact O-N 3.07Å; L573-Q575 VanDerWaalsContact C-N 3.32Å; Q575-T801 PolarHBondContact OE1-O 2.99Å; Q575-T801 VanDerWaalsContact OE1-O 3.13Å; Q575-R802 HydrophobicContact CB-CG 4.41Å | ||
| 576 | D | 84.5 | Confident | 88.1 | Confident | 42 Ų | 42 | 45.9 Ų | 45.9 | 23% | 0.225 | 24% | 0.244 | C | C | . | . | trans | -83.7 | -30.4 | 175 | -76.9 | -35.5 | 0 | 0 | 0 | 111.9 | D572 N574 L769 R802 | D572-D576 PolarHBondContact OD2-N 2.78Å; N574-D576 VanDerWaalsContact C-N 3.26Å; N574-D576 PolarHBondContact O-N 2.69Å; D576-L769 WeakPolarHBondContact O-CB 3.5Å; D576-L769 PolarHBondContact O-N 3.05Å; D576-R802 IonicContact OD1-CZ 3.72Å; D576-R802 IonicContact OD1-NE 3.89Å; D576-R802 PolarHBondContact OD1-NE 2.98Å; D576-R802 IonicContact OD1-NH2 3.91Å; D576-R802 PolarHBondContact OD1-NH2 3.19Å | ||
| 577 | T | 89.7 | Confident | 88 | Confident | 39 Ų | 39 | 44.6 Ų | 44.6 | 24% | 0.239 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 148.3 | 178.5 | 61.8 | 0 | 0 | 0 | 0 | 111.7 | D572 V767 | D572-T577 WeakPolarHBondContact CB-OG1 3.34Å; D572-T577 PolarHBondContact OD2-N 2.87Å; D572-T577 PolarHBondContact OD2-OG1 2.79Å; T577-V767 WeakPolarHBondContact CA-O 3.32Å |
| 578 | L | 90.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 131.6 | 175.3 | -63.7 | 175 | 0 | 0 | 0 | 109.3 | V567 R569 W750 R766 V767 L769 F798 | V567-L578 HydrophobicContact CG1-CB 4.22Å; V567-L578 HydrophobicContact CG1-CD1 4.22Å; V567-L578 HydrophobicContact CG1-CD2 3.96Å; V567-L578 HydrophobicContact CG1-CG 4.38Å; R569-L578 HydrophobicContact CB-CD2 4.39Å; R569-L578 HydrophobicContact CG-CD2 3.63Å; L578-W750 HydrophobicContact CD1-CH2 3.47Å; L578-W750 VanDerWaalsContact CD1-CH2 3.47Å; L578-W750 HydrophobicContact CD1-CZ2 4.06Å; L578-W750 HydrophobicContact CD1-CZ3 4.43Å; L578-R766 CarbonylContact O-C 3.05Å; L578-R766 VanDerWaalsContact O-CA 3.32Å; L578-R766 WeakPolarHBondContact O-CA 3.49Å; L578-V767 PolarHBondContact N-O 3.49Å; L578-V767 PolarHBondContact O-N 3.47Å; L578-L769 HydrophobicContact CD1-CB 4.09Å; L578-L769 HydrophobicContact CD1-CD1 3.58Å; L578-L769 HydrophobicContact CD1-CD2 4.46Å; L578-L769 HydrophobicContact CD1-CG 4.23Å; L578-L769 HydrophobicContact CG-CB 4.15Å; L578-L769 HydrophobicContact CG-CD1 4.47Å; L578-F798 HydrophobicContact CD1-CE2 3.68Å; L578-F798 HydrophobicContact CD1-CZ 4.25Å |
| 579 | E | 92.3 | Very high | 88.3 | Confident | 13 Ų | 13 | 42.8 Ų | 42.8 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 117.8 | 167.7 | 177.2 | -174 | -135.8 | 0 | 0 | 108.5 | N568 K571 R581 R766 | N568-E579 HydrophobicContact CB-CB 4.02Å; N568-E579 HydrophobicContact CB-CG 4.48Å; N568-E579 PolarHBondContact N-O 2.88Å; N568-E579 PolarHBondContact ND2-OE2 2.85Å; N568-E579 VanDerWaalsContact ND2-OE2 3.17Å; N568-E579 PolarHBondContact O-N 2.8Å; N568-E579 VanDerWaalsContact O-N 3.11Å; K571-E579 VanDerWaalsContact CD-OE2 3.27Å; K571-E579 WeakPolarHBondContact CD-OE2 3.39Å; K571-E579 WeakPolarHBondContact CE-OE2 3.46Å; K571-E579 IonicContact NZ-OE1 3.57Å; K571-E579 PolarHBondContact NZ-OE1 3.43Å; K571-E579 IonicContact NZ-OE2 3.25Å; K571-E579 PolarHBondContact NZ-OE2 3.31Å; E579-R581 IonicContact OE1-NE 3.67Å; E579-R581 IonicContact OE1-NH2 3.05Å; E579-R581 IonicContact OE2-NE 3.14Å; E579-R581 IonicContact OE2-NH2 2.71Å; E579-R766 HydrophobicContact CB-CG 4.48Å |
| 580 | I | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.1 | 179.1 | -66.6 | 160.5 | 0 | 0 | 0 | 108 | M565 F592 L751 Q764 F765 V767 | M565-I580 HydrophobicContact CE-CB 4.46Å; M565-I580 HydrophobicContact CE-CD1 4.24Å; M565-I580 HydrophobicContact CE-CG1 3.99Å; M565-I580 HydrophobicContact CE-CG2 3.7Å; M565-I580 HydrophobicContact CG-CG2 4.23Å; M565-I580 HydrophobicContact SD-CG2 4.3Å; I580-F592 HydrophobicContact CG2-CE1 4.37Å; I580-L751 HydrophobicContact CD1-CD1 3.37Å; I580-L751 HydrophobicContact CD1-CD2 3.49Å; I580-L751 VanDerWaalsContact CD1-CD2 3.49Å; I580-L751 HydrophobicContact CD1-CG 4.07Å; I580-Q764 WeakPolarHBondContact O-CA 3.39Å; I580-F765 HydrophobicContact CB-CE1 4.26Å; I580-F765 HydrophobicContact CB-CE2 4.49Å; I580-F765 HydrophobicContact CB-CZ 4.16Å; I580-F765 HydrophobicContact CD1-CE2 4.12Å; I580-F765 HydrophobicContact CD1-CZ 4.24Å; I580-F765 HydrophobicContact CG2-CE1 3.97Å; I580-F765 HydrophobicContact CG2-CZ 3.97Å; I580-F765 PolarHBondContact N-O 2.94Å; I580-F765 PolarHBondContact O-N 3.43Å; I580-V767 HydrophobicContact CD1-CB 4.23Å; I580-V767 HydrophobicContact CD1-CG2 3.86Å |
| 581 | R | 93.2 | Very high | 89.7 | Confident | 62 Ų | 62 | 36.7 Ų | 36.7 | 23% | 0.234 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 116.5 | 172.2 | -66.3 | -178.7 | 174.8 | -177.6 | -8.3 | 109.2 | M565 Q566 E579 Y583 I763 Q764 | M565-R581 CarbonylContact C-O 3.59Å; M565-R581 WeakPolarHBondContact CA-O 3.32Å; Q566-R581 HydrophobicContact CB-CB 4.3Å; Q566-R581 PolarHBondContact N-O 3.12Å; Q566-R581 PolarHBondContact O-N 3.5Å; E579-R581 IonicContact OE1-NE 3.67Å; E579-R581 IonicContact OE1-NH2 3.05Å; E579-R581 IonicContact OE2-NE 3.14Å; E579-R581 IonicContact OE2-NH2 2.71Å; R581-Y583 HydrophobicContact CB-CE2 3.99Å; R581-I763 CarbonylContact C-O 3.55Å; R581-I763 VanDerWaalsContact CA-O 3.26Å; R581-I763 WeakPolarHBondContact CA-O 3.27Å; R581-Q764 HydrophobicContact CG-CB 4.29Å |
| 582 | G | 93.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 140.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q564 Q762 I763 | Q564-G582 CarbonylContact O-C 3.57Å; Q564-G582 WeakPolarHBondContact O-CA 3.37Å; G582-Q762 CarbonylContact O-C 3.53Å; G582-Q762 VanDerWaalsContact O-CA 3.27Å; G582-Q762 WeakPolarHBondContact O-CA 3.43Å; G582-I763 PolarHBondContact N-O 3.37Å; G582-I763 PolarHBondContact O-N 2.84Å |
| 583 | Y | 94.4 | Very high | 90.6 | Very high | 55 Ų | 55 | 29.6 Ų | 29.6 | 22% | 0.216 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 131.8 | 175.9 | -58.3 | -86.3 | 0 | 0 | 0 | 108.7 | V563 Q564 Q566 R581 G761 Q762 | V563-Y583 WeakPolarHBondContact CA-O 3.5Å; Q564-Y583 HydrophobicContact CB-CD2 4.15Å; Q564-Y583 PolarHBondContact N-O 3.34Å; Q564-Y583 PolarHBondContact O-N 2.88Å; Q566-Y583 HydrophobicContact CB-CE2 4.34Å; Q566-Y583 HydrophobicContact CG-CE2 3.89Å; Q566-Y583 PolarHBondContact OE1-OH 3.32Å; R581-Y583 HydrophobicContact CB-CE2 3.99Å; Y583-G761 WeakPolarHBondContact CA-O 3.29Å; Y583-Q762 HydrophobicContact CD1-CB 4.02Å; Y583-Q762 HydrophobicContact CE1-CB 4.01Å |
| 584 | A | 93.2 | Very high | 91.1 | Very high | 11 Ų | 11 | 23.2 Ų | 23.2 | 9% | 0.091 | 13% | 0.129 | C | C | . | . | trans | -165.8 | 177.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | N561 V563 I590 V757 G761 | N561-A584 WeakPolarHBondContact OD1-CA 3.49Å; V563-A584 HydrophobicContact CG2-CB 4.42Å; A584-I590 HydrophobicContact CB-CD1 4.27Å; A584-V757 HydrophobicContact CB-CG2 3.99Å; A584-G761 PolarHBondContact N-O 3.13Å; A584-G761 CarbonylContact O-C 3.54Å; A584-G761 WeakPolarHBondContact O-CA 3.43Å | ||
| 585 | K | 92.1 | Very high | 91.5 | Very high | 55 Ų | 55 | 21.1 Ų | 21.1 | 24% | 0.239 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -54.7 | 135.8 | 176.7 | -177.9 | 175.7 | 167 | -165.5 | 0 | 111.2 | N561 G587 S588 D784 E786 L787 | N561-K585 PolarHBondContact OD1-N 3.03Å; K585-G587 PolarHBondContact O-N 3.2Å; K585-S588 VanDerWaalsContact O-CB 3.24Å; K585-S588 WeakPolarHBondContact O-CB 3.39Å; K585-S588 PolarHBondContact O-N 3.36Å; K585-S588 VanDerWaalsContact O-N 3.1Å; K585-S588 PolarHBondContact O-OG 3.3Å; K585-D784 IonicContact NZ-OD1 3.35Å; K585-D784 IonicContact NZ-OD2 3.94Å; K585-D784 PolarHBondContact NZ-OD2 2.92Å; K585-E786 IonicContact NZ-OE2 3.73Å; K585-E786 PolarHBondContact NZ-OE2 2.86Å; K585-L787 HydrophobicContact CB-CD1 4.4Å; K585-L787 HydrophobicContact CD-CD1 3.42Å; K585-L787 VanDerWaalsContact CD-CD1 3.42Å; K585-L787 HydrophobicContact CD-CG 3.91Å; K585-L787 HydrophobicContact CG-CD1 4.48Å |
| 586 | P | 93.2 | Very high | 91.6 | Very high | 67 Ų | 67 | 20.1 Ų | 20.1 | 44% | 0.435 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 134.4 | 174.5 | -26.1 | 33.2 | 0 | 0 | 0 | 112.4 | S588 A759 | P586-S588 PolarHBondContact O-N 3.41Å; P586-A759 WeakPolarHBondContact CG-O 3.37Å |
| 587 | G | 90 | Very high | 91.6 | Very high | 49 Ų | 49 | 18.7 Ų | 18.7 | 51% | 0.505 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | -10.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | K585 V757 | K585-G587 PolarHBondContact O-N 3.2Å; G587-V757 PolarHBondContact N-O 3.12Å |
| 588 | S | 92.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | trans | -68.3 | 153.9 | 173.4 | 69.3 | 0 | 0 | 0 | 0 | 111.9 | K585 P586 V757 S782 | K585-S588 VanDerWaalsContact O-CB 3.24Å; K585-S588 WeakPolarHBondContact O-CB 3.39Å; K585-S588 PolarHBondContact O-N 3.36Å; K585-S588 VanDerWaalsContact O-N 3.1Å; K585-S588 PolarHBondContact O-OG 3.3Å; P586-S588 PolarHBondContact O-N 3.41Å; S588-V757 WeakPolarHBondContact O-CG2 3.48Å; S588-V757 PolarHBondContact O-N 2.66Å; S588-V757 WeakPolarHBondContact OG-CG2 3.21Å; S588-S782 WeakPolarHBondContact CB-OG 3.43Å; S588-S782 PolarHBondContact OG-OG 2.82Å | ||
| 589 | Y | 93.3 | Very high | 90.5 | Very high | 21 Ų | 21 | 19.1 Ų | 19.1 | 8% | 0.082 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 110.6 | 177.6 | -168.4 | -104.2 | 0 | 0 | 0 | 110 | N187 I191 S754 F756 S782 V783 | N187-Y589 PolarHBondContact ND2-OH 3.38Å; I191-Y589 HydrophobicContact CD1-CD1 3.75Å; I191-Y589 HydrophobicContact CD1-CE1 3.86Å; Y589-S754 WeakPolarHBondContact OH-CB 3.31Å; Y589-F756 AromaticContact CD2-CD1 3.92Å; Y589-F756 HydrophobicContact CD2-CD1 3.92Å; Y589-F756 HydrophobicContact CD2-CD2 4.01Å; Y589-F756 AromaticContact CD2-CE1 3.67Å; Y589-F756 HydrophobicContact CD2-CE1 3.67Å; Y589-F756 AromaticContact CD2-CE2 3.76Å; Y589-F756 HydrophobicContact CD2-CE2 3.76Å; Y589-F756 HydrophobicContact CD2-CG 4.08Å; Y589-F756 AromaticContact CD2-CZ 3.57Å; Y589-F756 HydrophobicContact CD2-CZ 3.57Å; Y589-F756 HydrophobicContact CE2-CD2 4.26Å; Y589-F756 AromaticContact CE2-CE2 3.92Å; Y589-F756 HydrophobicContact CE2-CE2 3.92Å; Y589-F756 HydrophobicContact CE2-CZ 4.09Å; Y589-F756 HydrophobicContact CG-CE1 4.36Å; Y589-S782 CarbonylContact O-C 3.6Å; Y589-S782 VanDerWaalsContact O-CA 3.29Å; Y589-S782 WeakPolarHBondContact O-CA 3.35Å; Y589-V783 PolarHBondContact N-O 2.84Å; Y589-V783 PolarHBondContact O-N 3.35Å |
| 590 | I | 93.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 131.3 | -177.5 | -167.6 | 165.3 | 0 | 0 | 0 | 111.1 | V563 A584 F592 S754 T755 V757 I763 F781 | V563-I590 HydrophobicContact CG1-CD1 4.19Å; A584-I590 HydrophobicContact CB-CD1 4.27Å; I590-F592 HydrophobicContact CD1-CE1 3.89Å; I590-F592 HydrophobicContact CD1-CE2 4.43Å; I590-F592 HydrophobicContact CD1-CZ 3.62Å; I590-F592 HydrophobicContact CG1-CE1 4.16Å; I590-F592 HydrophobicContact CG1-CE2 4.16Å; I590-F592 HydrophobicContact CG1-CZ 3.81Å; I590-F592 HydrophobicContact CG2-CE2 3.76Å; I590-F592 HydrophobicContact CG2-CZ 3.93Å; I590-S754 WeakPolarHBondContact O-CA 3.23Å; I590-T755 WeakPolarHBondContact CG2-O 2.86Å; I590-T755 PolarHBondContact N-O 3.46Å; I590-T755 PolarHBondContact O-N 2.85Å; I590-V757 HydrophobicContact CB-CG2 3.92Å; I590-V757 HydrophobicContact CG2-CG2 3.66Å; I590-I763 HydrophobicContact CG2-CG2 4.12Å; I590-F781 WeakPolarHBondContact CA-O 3.37Å |
| 591 | A | 93.5 | Very high | 89 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | A780 F781 | A591-A780 VanDerWaalsContact O-CA 3.25Å; A591-A780 WeakPolarHBondContact O-CA 3.5Å; A591-F781 HydrophobicContact CB-CD1 4.05Å; A591-F781 HydrophobicContact CB-CD2 4.4Å; A591-F781 HydrophobicContact CB-CE1 3.49Å; A591-F781 VanDerWaalsContact CB-CE1 3.49Å; A591-F781 HydrophobicContact CB-CE2 3.91Å; A591-F781 HydrophobicContact CB-CG 4.47Å; A591-F781 HydrophobicContact CB-CZ 3.43Å; A591-F781 VanDerWaalsContact CB-CZ 3.43Å; A591-F781 PolarHBondContact N-O 2.85Å; A591-F781 PolarHBondContact O-N 3.43Å; A591-F781 VanDerWaalsContact O-N 3.07Å |
| 592 | F | 93.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 157.8 | 177.6 | -56.1 | -81.8 | 0 | 0 | 0 | 111.2 | R150 M565 I580 I590 L751 H753 I763 F765 A780 | R150-F592 PolarHBondContact NH1-O 2.88Å; R150-F592 PolarHBondContact NH2-O 3.18Å; M565-F592 HydrophobicContact CG-CE1 4.49Å; M565-F592 HydrophobicContact SD-CD1 3.81Å; M565-F592 HydrophobicContact SD-CE1 4.23Å; I580-F592 HydrophobicContact CG2-CE1 4.37Å; I590-F592 HydrophobicContact CD1-CE1 3.89Å; I590-F592 HydrophobicContact CD1-CE2 4.43Å; I590-F592 HydrophobicContact CD1-CZ 3.62Å; I590-F592 HydrophobicContact CG1-CE1 4.16Å; I590-F592 HydrophobicContact CG1-CE2 4.16Å; I590-F592 HydrophobicContact CG1-CZ 3.81Å; I590-F592 HydrophobicContact CG2-CE2 3.76Å; I590-F592 HydrophobicContact CG2-CZ 3.93Å; F592-L751 CarbonylContact C-O 3.47Å; F592-L751 VanDerWaalsContact C-O 3.24Å; F592-L751 HydrophobicContact CB-CD2 3.74Å; F592-L751 HydrophobicContact CB-CG 3.96Å; F592-L751 HydrophobicContact CG-CD2 4.42Å; F592-H753 PolarHBondContact N-O 3.34Å; F592-I763 HydrophobicContact CE2-CG2 4.07Å; F592-I763 HydrophobicContact CZ-CG2 3.76Å; F592-F765 HydrophobicContact CD2-CE1 4.04Å; F592-F765 AromaticContact CD2-CZ 3.91Å; F592-F765 HydrophobicContact CD2-CZ 3.91Å; F592-F765 AromaticContact CE2-CE1 3.71Å; F592-F765 HydrophobicContact CE2-CE1 3.71Å; F592-F765 HydrophobicContact CE2-CZ 4.08Å; F592-F765 HydrophobicContact CG-CZ 4.47Å; F592-F765 HydrophobicContact CZ-CE1 4.26Å; F592-A780 HydrophobicContact CD1-CB 3.79Å; F592-A780 HydrophobicContact CE1-CB 4.08Å |
| 593 | S | 92.4 | Very high | 85.9 | Confident | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 135.9 | 175.3 | 40.2 | 0 | 0 | 0 | 0 | 109.8 | H135 F607 L751 A778 G779 | H135-S593 PolarHBondContact CE1-OG 3.19Å; S593-F607 WeakPolarHBondContact O-CE1 3.23Å; S593-F607 WeakPolarHBondContact OG-CD1 3.17Å; S593-F607 WeakPolarHBondContact OG-CE1 2.93Å; S593-L751 WeakPolarHBondContact CA-O 3.28Å; S593-L751 PolarHBondContact N-O 3.44Å; S593-A778 WeakPolarHBondContact O-CA 3.28Å; S593-G779 PolarHBondContact N-O 3.2Å; S593-G779 PolarHBondContact O-N 3.12Å; S593-G779 VanDerWaalsContact O-O 3.12Å; S593-G779 PolarHBondContact OG-O 3.22Å |
| 594 | V | 91.3 | Very high | 84 | Confident | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 137.6 | 176.2 | 176.8 | 0 | 0 | 0 | 0 | 109.5 | A749 W750 L751 W776 V777 A778 F798 | V594-A749 CarbonylContact O-C 3.43Å; V594-A749 WeakPolarHBondContact O-CA 3.5Å; V594-A749 WeakPolarHBondContact O-CB 3.49Å; V594-W750 HydrophobicContact CB-CD2 4.14Å; V594-W750 HydrophobicContact CB-CG 4.4Å; V594-W750 HydrophobicContact CB-CZ2 4.35Å; V594-W750 WeakPolarHBondContact CB-O 3.39Å; V594-W750 HydrophobicContact CG1-CD2 4.18Å; V594-W750 HydrophobicContact CG1-CG 4.46Å; V594-W750 HydrophobicContact CG1-CZ2 3.78Å; V594-W750 HydrophobicContact CG2-CH2 4.36Å; V594-W750 HydrophobicContact CG2-CZ2 4.38Å; V594-W750 PolarHBondContact N-O 3.27Å; V594-W750 PolarHBondContact O-N 2.68Å; V594-W750 VanDerWaalsContact O-O 3.11Å; V594-L751 HydrophobicContact CB-CB 4.06Å; V594-L751 HydrophobicContact CG2-CB 3.65Å; V594-L751 HydrophobicContact CG2-CD2 3.52Å; V594-L751 HydrophobicContact CG2-CG 4.22Å; V594-W776 HydrophobicContact CG1-CB 3.86Å; V594-W776 HydrophobicContact CG1-CD2 4.42Å; V594-W776 HydrophobicContact CG1-CE3 4.09Å; V594-W776 HydrophobicContact CG1-CG 4.37Å; V594-V777 WeakPolarHBondContact CA-O 3.28Å; V594-A778 HydrophobicContact CG2-CB 3.75Å; V594-F798 HydrophobicContact CG1-CE1 4.34Å; V594-F798 HydrophobicContact CG1-CZ 4.2Å |
| 595 | M | 89.1 | Confident | 82.1 | Confident | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 160.2 | 173.6 | 68.5 | -174.3 | 62.7 | 0 | 0 | 111.9 | Y600 S606 F607 G748 V777 | M595-Y600 HydrophobicContact SD-CD2 3.69Å; M595-Y600 HydrophobicContact SD-CG 4.18Å; M595-S606 WeakPolarHBondContact CE-OG 3.29Å; M595-S606 PolarHBondContact SD-OG 3.07Å; M595-F607 HydrophobicContact CB-CZ 4.5Å; M595-F607 HydrophobicContact CE-CD1 3.63Å; M595-F607 HydrophobicContact CE-CD2 3.54Å; M595-F607 HydrophobicContact CE-CE1 3.32Å; M595-F607 HydrophobicContact CE-CE2 3.23Å; M595-F607 HydrophobicContact CE-CG 3.74Å; M595-F607 HydrophobicContact CE-CZ 3.14Å; M595-F607 HydrophobicContact CG-CE2 3.73Å; M595-F607 HydrophobicContact CG-CZ 3.74Å; M595-F607 HydrophobicContact SD-CD2 4Å; M595-F607 HydrophobicContact SD-CE2 3.52Å; M595-F607 VanDerWaalsContact SD-CE2 3.52Å; M595-F607 HydrophobicContact SD-CZ 3.9Å; M595-G748 CarbonylContact C-O 3.52Å; M595-G748 WeakPolarHBondContact CA-O 3.33Å; M595-V777 HydrophobicContact CG-CB 4.41Å; M595-V777 PolarHBondContact N-O 3.08Å; M595-V777 PolarHBondContact O-N 3.46Å |
| 596 | H | 87.1 | Confident | 81 | Confident | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 138.3 | 174.7 | -164.8 | -59.4 | 0 | 0 | 0 | 111.1 | D598 L599 Y600 G748 M772 A774 W776 | H596-D598 IonicContact CE1-OD1 3.63Å; H596-D598 IonicContact CE1-OD2 3.03Å; H596-D598 PolarHBondContact CE1-OD2 3.22Å; H596-D598 WeakPolarHBondContact ND1-CB 3.38Å; H596-D598 PolarHBondContact ND1-N 3.47Å; H596-D598 IonicContact ND1-OD2 2.65Å; H596-D598 PolarHBondContact O-N 3.26Å; H596-L599 HydrophobicContact CB-CB 4.26Å; H596-L599 HydrophobicContact CB-CD1 4.07Å; H596-L599 HydrophobicContact CB-CG 4.13Å; H596-L599 WeakPolarHBondContact O-CB 3.2Å; H596-L599 PolarHBondContact O-N 3.44Å; H596-L599 VanDerWaalsContact O-N 3.08Å; H596-Y600 PolarHBondContact O-N 2.77Å; H596-G748 PolarHBondContact N-O 3.48Å; H596-M772 WeakPolarHBondContact CD2-CE 3.49Å; H596-A774 VanDerWaalsContact NE2-CB 3.3Å; H596-A774 WeakPolarHBondContact NE2-CB 3.17Å; H596-W776 HydrophobicContact CB-CE3 4.34Å; H596-W776 HydrophobicContact CB-CZ3 4.05Å |
| 597 | A | 84 | Confident | 80.3 | Confident | 13 Ų | 13 | 11.6 Ų | 11.6 | 11% | 0.107 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.7 | -43.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L599 Y600 A601 D775 V777 L797 | A597-L599 PolarHBondContact O-N 3.4Å; A597-Y600 WeakPolarHBondContact O-CB 3.48Å; A597-Y600 PolarHBondContact O-N 3.49Å; A597-A601 PolarHBondContact O-N 2.86Å; A597-D775 HydrophobicContact CB-CB 3.81Å; A597-D775 VanDerWaalsContact CB-O 3.25Å; A597-D775 WeakPolarHBondContact CB-O 3.48Å; A597-D775 PolarHBondContact N-O 3.04Å; A597-V777 HydrophobicContact CB-CG2 3.94Å; A597-L797 HydrophobicContact CB-CD1 4.09Å |
| 598 | D | 78.4 | Confident | 79.8 | Confident | 44 Ų | 44 | 10.4 Ų | 10.4 | 24% | 0.235 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -52.3 | -49.9 | 170.7 | -60.2 | -4.6 | 0 | 0 | 0 | 112.1 | H596 Y600 A601 I602 F738 R743 Q744 | H596-D598 IonicContact CE1-OD1 3.63Å; H596-D598 IonicContact CE1-OD2 3.03Å; H596-D598 PolarHBondContact CE1-OD2 3.22Å; H596-D598 WeakPolarHBondContact ND1-CB 3.38Å; H596-D598 PolarHBondContact ND1-N 3.47Å; H596-D598 IonicContact ND1-OD2 2.65Å; H596-D598 PolarHBondContact O-N 3.26Å; D598-Y600 VanDerWaalsContact C-N 3.32Å; D598-Y600 PolarHBondContact O-N 3.11Å; D598-A601 PolarHBondContact O-N 3Å; D598-I602 VanDerWaalsContact O-CD1 3.3Å; D598-I602 WeakPolarHBondContact O-CD1 3.33Å; D598-I602 WeakPolarHBondContact O-CG1 3.4Å; D598-I602 PolarHBondContact O-N 2.98Å; D598-I602 VanDerWaalsContact O-N 3.09Å; D598-F738 HydrophobicContact CB-CZ 4.19Å; D598-R743 IonicContact OD2-CZ 2.77Å; D598-R743 IonicContact OD2-NE 3.99Å; D598-R743 IonicContact OD2-NH2 2.69Å; D598-R743 PolarHBondContact OD2-NH2 3.26Å; D598-Q744 PolarHBondContact OD2-NE2 2.78Å |
| 599 | L | 79.1 | Confident | 79.3 | Confident | 3 Ų | 3 | 11.2 Ų | 11.2 | 2% | 0.016 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.2 | -35.1 | 177.9 | -69.9 | 178.3 | 0 | 0 | 0 | 112.7 | I140 H596 A597 G603 Q744 | I140-L599 HydrophobicContact CG2-CD2 3.88Å; H596-L599 HydrophobicContact CB-CB 4.26Å; H596-L599 HydrophobicContact CB-CD1 4.07Å; H596-L599 HydrophobicContact CB-CG 4.13Å; H596-L599 WeakPolarHBondContact O-CB 3.2Å; H596-L599 PolarHBondContact O-N 3.44Å; H596-L599 VanDerWaalsContact O-N 3.08Å; A597-L599 PolarHBondContact O-N 3.4Å; L599-G603 WeakPolarHBondContact O-CA 3.17Å; L599-G603 PolarHBondContact O-N 2.9Å; L599-Q744 HydrophobicContact CD1-CB 4.36Å; L599-Q744 WeakPolarHBondContact CD1-O 3.45Å; L599-Q744 HydrophobicContact CD2-CB 4.15Å; L599-Q744 HydrophobicContact CG-CB 4.19Å; L599-Q744 HydrophobicContact CG-CG 4.43Å |
| 600 | Y | 79.4 | Confident | 78.7 | Confident | 10 Ų | 10 | 13.3 Ų | 13.3 | 4% | 0.039 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -67.6 | -36.9 | 174.7 | 179.2 | -107.7 | 0 | 0 | 0 | 112.5 | M595 H596 A597 D598 F607 R609 K637 V777 P795 | M595-Y600 HydrophobicContact SD-CD2 3.69Å; M595-Y600 HydrophobicContact SD-CG 4.18Å; H596-Y600 PolarHBondContact O-N 2.77Å; A597-Y600 WeakPolarHBondContact O-CB 3.48Å; A597-Y600 PolarHBondContact O-N 3.49Å; D598-Y600 VanDerWaalsContact C-N 3.32Å; D598-Y600 PolarHBondContact O-N 3.11Å; Y600-F607 AromaticContact CD2-CD2 3.68Å; Y600-F607 HydrophobicContact CD2-CD2 3.68Å; Y600-F607 AromaticContact CD2-CE2 3.76Å; Y600-F607 HydrophobicContact CD2-CE2 3.76Å; Y600-F607 AromaticContact CE2-CD2 3.57Å; Y600-F607 HydrophobicContact CE2-CD2 3.57Å; Y600-F607 HydrophobicContact CE2-CE2 4.04Å; Y600-R609 PolarHBondContact OH-NH2 2.8Å; Y600-K637 HydrophobicContact CD1-CB 4.49Å; Y600-K637 HydrophobicContact CD1-CG 4.26Å; Y600-K637 HydrophobicContact CE1-CB 3.77Å; Y600-K637 HydrophobicContact CE1-CG 4.02Å; Y600-K637 PolarHBondContact OH-O 3.06Å; Y600-V777 HydrophobicContact CD1-CB 4.41Å; Y600-V777 HydrophobicContact CD1-CG1 3.97Å; Y600-V777 HydrophobicContact CD1-CG2 3.99Å; Y600-V777 HydrophobicContact CD2-CG1 4.19Å; Y600-V777 HydrophobicContact CE1-CG1 4.27Å; Y600-V777 HydrophobicContact CG-CB 4.2Å; Y600-V777 HydrophobicContact CG-CG1 3.92Å; Y600-V777 HydrophobicContact CG-CG2 4.15Å; Y600-P795 HydrophobicContact CE1-CG 4.14Å; Y600-P795 HydrophobicContact CE2-CG 4.45Å; Y600-P795 WeakPolarHBondContact OH-CG 3.35Å |
| 601 | A | 72 | Confident | 78.1 | Confident | 22 Ų | 22 | 14.8 Ų | 14.8 | 18% | 0.182 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -69.8 | -37.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A597 D598 | A597-A601 PolarHBondContact O-N 2.86Å; D598-A601 PolarHBondContact O-N 3Å |
| 602 | I | 64.4 | Low | 77.5 | Confident | 7 Ų | 7 | 16.8 Ų | 16.8 | 4% | 0.036 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -84.6 | -41.7 | 179.5 | -54.5 | 157.1 | 0 | 0 | 0 | 111.9 | D598 G604 L734 I735 F738 | D598-I602 VanDerWaalsContact O-CD1 3.3Å; D598-I602 WeakPolarHBondContact O-CD1 3.33Å; D598-I602 WeakPolarHBondContact O-CG1 3.4Å; D598-I602 PolarHBondContact O-N 2.98Å; D598-I602 VanDerWaalsContact O-N 3.09Å; I602-G604 PolarHBondContact O-N 2.71Å; I602-L734 WeakPolarHBondContact CG2-O 2.99Å; I602-I735 VanDerWaalsContact CG2-CA 3.43Å; I602-I735 HydrophobicContact CG2-CB 4.36Å; I602-I735 HydrophobicContact CG2-CG1 4.39Å; I602-F738 HydrophobicContact CD1-CD1 4Å; I602-F738 HydrophobicContact CD1-CE1 3.06Å; I602-F738 HydrophobicContact CD1-CE2 3.76Å; I602-F738 HydrophobicContact CD1-CZ 2.93Å; I602-F738 HydrophobicContact CG1-CD1 4.01Å; I602-F738 HydrophobicContact CG1-CE1 3.17Å; I602-F738 HydrophobicContact CG1-CZ 3.65Å |
| 603 | G | 57.6 | Low | 77.1 | Confident | 2 Ų | 2 | 16.8 Ų | 16.8 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -68.1 | 127.6 | -163.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L599 | L599-G603 WeakPolarHBondContact O-CA 3.17Å; L599-G603 PolarHBondContact O-N 2.9Å |
| 604 | G | 54.7 | Low | 76.8 | Confident | 37 Ų | 37 | 16.7 Ų | 16.7 | 38% | 0.381 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -50.6 | 148.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | I602 S606 | I602-G604 PolarHBondContact O-N 2.71Å; G604-S606 PolarHBondContact O-N 2.84Å |
| 605 | A | 53.7 | Low | 76.5 | Confident | 12 Ų | 12 | 19.7 Ų | 19.7 | 10% | 0.099 | 11% | 0.114 | C | C | . | . | trans | -46 | 91.3 | -164.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K220 | K220-A605 WeakPolarHBondContact CE-O 3.26Å; K220-A605 PolarHBondContact NZ-O 3.49Å | ||
| 606 | S | 68.4 | Low | 76.4 | Confident | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -72.6 | -51.2 | 166.8 | 38.2 | 0 | 0 | 0 | 0 | 109.3 | H135 M595 G604 | H135-S606 PolarHBondContact CD2-O 3.46Å; M595-S606 WeakPolarHBondContact CE-OG 3.29Å; M595-S606 PolarHBondContact SD-OG 3.07Å; G604-S606 PolarHBondContact O-N 2.84Å |
| 607 | F | 78.2 | Confident | 76.4 | Confident | 13 Ų | 13 | 22.2 Ų | 22.2 | 6% | 0.057 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -68.4 | 143.8 | 168.1 | -60.8 | -50 | 0 | 0 | 0 | 111.4 | S593 M595 Y600 V777 | S593-F607 WeakPolarHBondContact O-CE1 3.23Å; S593-F607 WeakPolarHBondContact OG-CD1 3.17Å; S593-F607 WeakPolarHBondContact OG-CE1 2.93Å; M595-F607 HydrophobicContact CB-CZ 4.5Å; M595-F607 HydrophobicContact CE-CD1 3.63Å; M595-F607 HydrophobicContact CE-CD2 3.54Å; M595-F607 HydrophobicContact CE-CE1 3.32Å; M595-F607 HydrophobicContact CE-CE2 3.23Å; M595-F607 HydrophobicContact CE-CG 3.74Å; M595-F607 HydrophobicContact CE-CZ 3.14Å; M595-F607 HydrophobicContact CG-CE2 3.73Å; M595-F607 HydrophobicContact CG-CZ 3.74Å; M595-F607 HydrophobicContact SD-CD2 4Å; M595-F607 HydrophobicContact SD-CE2 3.52Å; M595-F607 VanDerWaalsContact SD-CE2 3.52Å; M595-F607 HydrophobicContact SD-CZ 3.9Å; Y600-F607 AromaticContact CD2-CD2 3.68Å; Y600-F607 HydrophobicContact CD2-CD2 3.68Å; Y600-F607 AromaticContact CD2-CE2 3.76Å; Y600-F607 HydrophobicContact CD2-CE2 3.76Å; Y600-F607 AromaticContact CE2-CD2 3.57Å; Y600-F607 HydrophobicContact CE2-CD2 3.57Å; Y600-F607 HydrophobicContact CE2-CE2 4.04Å; F607-V777 HydrophobicContact CE2-CB 4.45Å; F607-V777 HydrophobicContact CE2-CG1 3.81Å; F607-V777 WeakPolarHBondContact CZ-O 3.12Å |
| 608 | L | 81 | Confident | 76.4 | Confident | 23 Ų | 23 | 23.2 Ų | 23.2 | 12% | 0.12 | 13% | 0.129 | C | C | . | . | trans | -68.9 | 129.4 | 168.3 | -62.6 | 168.6 | 0 | 0 | 0 | 109.5 | F133 H135 I152 L791 | F133-L608 HydrophobicContact CB-CD2 3.96Å; H135-L608 HydrophobicContact CB-CD1 4.4Å; H135-L608 HydrophobicContact CB-CG 4.31Å; I152-L608 HydrophobicContact CD1-CD1 3.49Å; I152-L608 VanDerWaalsContact CD1-CD1 3.49Å; L608-L791 HydrophobicContact CB-CD2 3.99Å | ||
| 609 | R | 80.4 | Confident | 76.7 | Confident | 18 Ų | 18 | 23.2 Ų | 23.2 | 7% | 0.068 | 13% | 0.131 | C | C | . | . | trans | -115.8 | 158.4 | 178.1 | -56.6 | 179.6 | -173.5 | -145 | 5.6 | 110.4 | Y600 Y611 D612 I613 K637 R733 | Y600-R609 PolarHBondContact OH-NH2 2.8Å; R609-Y611 VanDerWaalsContact C-N 3.27Å; R609-Y611 HydrophobicContact CB-CD1 3.87Å; R609-Y611 HydrophobicContact CB-CE1 3.65Å; R609-Y611 WeakPolarHBondContact CD-OH 3.4Å; R609-Y611 HydrophobicContact CG-CE1 4.11Å; R609-Y611 PolarHBondContact O-N 2.95Å; R609-D612 WeakPolarHBondContact CB-OD2 3.39Å; R609-D612 PolarHBondContact N-OD2 2.8Å; R609-D612 WeakPolarHBondContact O-CB 3.44Å; R609-D612 PolarHBondContact O-N 3.4Å; R609-D612 VanDerWaalsContact O-N 3.12Å; R609-I613 PolarHBondContact O-N 3.09Å; R609-K637 PolarHBondContact NH1-O 2.93Å; R609-R733 VanDerWaalsContact CZ-NH1 3.27Å; R609-R733 VanDerWaalsContact NH1-NH1 3.19Å | ||
| 610 | E | 81.4 | Confident | 76.9 | Confident | 66 Ų | 66 | 23.1 Ų | 23.1 | 31% | 0.308 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -57.5 | -42.4 | -178.6 | -174.2 | -177.5 | 170.9 | 0 | 0 | 111.4 | Y554 Y557 T558 D612 I613 V614 | Y554-E610 PolarHBondContact OH-OE1 3.3Å; Y557-E610 HydrophobicContact CE1-CG 4.35Å; T558-E610 HydrophobicContact CG2-CG 4.24Å; T558-E610 WeakPolarHBondContact CG2-OE1 3.39Å; T558-E610 WeakPolarHBondContact CG2-OE2 3.38Å; E610-D612 VanDerWaalsContact C-N 3.31Å; E610-D612 PolarHBondContact O-N 3.45Å; E610-I613 PolarHBondContact O-N 2.77Å; E610-V614 HydrophobicContact CG-CG2 4.23Å; E610-V614 VanDerWaalsContact O-CG2 3.3Å; E610-V614 WeakPolarHBondContact O-CG2 3.48Å; E610-V614 PolarHBondContact O-N 2.75Å |
| 611 | Y | 80.1 | Confident | 77.1 | Confident | 30 Ų | 30 | 23 Ų | 23 | 12% | 0.118 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.8 | -30.3 | -179.5 | 73.4 | -101.2 | 0 | 0 | 0 | 113.3 | R609 I613 V614 D615 I639 | R609-Y611 VanDerWaalsContact C-N 3.27Å; R609-Y611 HydrophobicContact CB-CD1 3.87Å; R609-Y611 HydrophobicContact CB-CE1 3.65Å; R609-Y611 WeakPolarHBondContact CD-OH 3.4Å; R609-Y611 HydrophobicContact CG-CE1 4.11Å; R609-Y611 PolarHBondContact O-N 2.95Å; Y611-I613 VanDerWaalsContact C-N 3.3Å; Y611-V614 PolarHBondContact O-N 2.55Å; Y611-D615 WeakPolarHBondContact O-CB 3.23Å; Y611-D615 PolarHBondContact O-N 2.86Å; Y611-I639 HydrophobicContact CD1-CB 4.13Å; Y611-I639 HydrophobicContact CD1-CG2 4.4Å; Y611-I639 HydrophobicContact CE1-CB 3.95Å; Y611-I639 HydrophobicContact CE1-CD1 4.01Å; Y611-I639 HydrophobicContact CE1-CG1 4.41Å |
| 612 | D | 80.9 | Confident | 77.3 | Confident | 43 Ų | 43 | 29.5 Ų | 29.5 | 23% | 0.23 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66 | -38.2 | 176.1 | -61.6 | -50 | 0 | 0 | 0 | 110 | R609 E610 E616 | R609-D612 WeakPolarHBondContact CB-OD2 3.39Å; R609-D612 PolarHBondContact N-OD2 2.8Å; R609-D612 WeakPolarHBondContact O-CB 3.44Å; R609-D612 PolarHBondContact O-N 3.4Å; R609-D612 VanDerWaalsContact O-N 3.12Å; E610-D612 VanDerWaalsContact C-N 3.31Å; E610-D612 PolarHBondContact O-N 3.45Å; D612-E616 WeakPolarHBondContact O-CB 3.22Å; D612-E616 PolarHBondContact O-N 3.29Å |
| 613 | I | 86.1 | Confident | 77.9 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70 | -45.4 | 175.6 | -62.8 | 177.8 | 0 | 0 | 0 | 110.5 | F133 L158 F530 R609 E610 Y611 E616 L617 L789 L791 | F133-I613 HydrophobicContact CE1-CB 4.42Å; F133-I613 HydrophobicContact CE1-CG1 4.08Å; F133-I613 HydrophobicContact CZ-CB 4.26Å; F133-I613 HydrophobicContact CZ-CG1 4.07Å; F133-I613 HydrophobicContact CZ-CG2 4.12Å; L158-I613 HydrophobicContact CD1-CG2 4.49Å; L158-I613 HydrophobicContact CD2-CG2 3.71Å; F530-I613 HydrophobicContact CZ-CG2 4.49Å; R609-I613 PolarHBondContact O-N 3.09Å; E610-I613 PolarHBondContact O-N 2.77Å; Y611-I613 VanDerWaalsContact C-N 3.3Å; I613-E616 PolarHBondContact O-N 2.73Å; I613-L617 HydrophobicContact CG2-CD1 3.87Å; I613-L617 HydrophobicContact CG2-CG 4.34Å; I613-L617 WeakPolarHBondContact O-CB 3.44Å; I613-L617 WeakPolarHBondContact O-CG 3.27Å; I613-L617 PolarHBondContact O-N 2.87Å; I613-L789 HydrophobicContact CD1-CD2 3.57Å; I613-L789 HydrophobicContact CD1-CG 4.3Å; I613-L789 HydrophobicContact CG1-CD2 4.46Å; I613-L791 HydrophobicContact CD1-CD1 3.45Å; I613-L791 VanDerWaalsContact CD1-CD1 3.45Å; I613-L791 HydrophobicContact CD1-CD2 4.08Å; I613-L791 HydrophobicContact CD1-CG 3.75Å; I613-L791 HydrophobicContact CG1-CD1 4.36Å |
| 614 | V | 86.5 | Confident | 79.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.7 | -48.2 | -179.6 | 176 | 0 | 0 | 0 | 0 | 110.3 | F530 P531 Y554 E610 Y611 E616 L617 M618 Y643 | F530-V614 HydrophobicContact CE2-CG2 3.86Å; F530-V614 HydrophobicContact CZ-CG2 3.88Å; P531-V614 HydrophobicContact CB-CG1 4.16Å; Y554-V614 HydrophobicContact CE2-CG1 3.92Å; Y554-V614 HydrophobicContact CE2-CG2 3.89Å; Y554-V614 WeakPolarHBondContact OH-CG2 3.42Å; E610-V614 HydrophobicContact CG-CG2 4.23Å; E610-V614 VanDerWaalsContact O-CG2 3.3Å; E610-V614 WeakPolarHBondContact O-CG2 3.48Å; E610-V614 PolarHBondContact O-N 2.75Å; Y611-V614 PolarHBondContact O-N 2.55Å; V614-E616 VanDerWaalsContact C-N 3.3Å; V614-E616 PolarHBondContact O-N 2.84Å; V614-L617 CarbonylContact O-C 3.35Å; V614-L617 PolarHBondContact O-N 2.8Å; V614-L617 VanDerWaalsContact O-N 3.08Å; V614-M618 HydrophobicContact CG1-CG 3.75Å; V614-M618 HydrophobicContact CG1-SD 3.99Å; V614-M618 WeakPolarHBondContact O-CB 3.43Å; V614-M618 WeakPolarHBondContact O-CG 3.46Å; V614-M618 PolarHBondContact O-N 3.16Å; V614-Y643 HydrophobicContact CG1-CE1 4.21Å; V614-Y643 VanDerWaalsContact CG1-OH 3.28Å; V614-Y643 WeakPolarHBondContact CG1-OH 3.31Å |
| 615 | D | 84.4 | Confident | 80.6 | Confident | 65 Ų | 65 | 33.5 Ų | 33.5 | 35% | 0.348 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -56.7 | -44.9 | 179 | -79.5 | -23.8 | 0 | 0 | 0 | 112.4 | Y611 M618 R641 | Y611-D615 WeakPolarHBondContact O-CB 3.23Å; Y611-D615 PolarHBondContact O-N 2.86Å; D615-M618 PolarHBondContact O-N 2.97Å; D615-R641 IonicContact OD1-CZ 3.46Å; D615-R641 IonicContact OD1-NH1 3.67Å; D615-R641 PolarHBondContact OD1-NH1 3.1Å; D615-R641 IonicContact OD1-NH2 2.73Å; D615-R641 IonicContact OD2-CZ 2.64Å; D615-R641 VanDerWaalsContact OD2-CZ 3.27Å; D615-R641 IonicContact OD2-NH1 3.9Å; D615-R641 PolarHBondContact OD2-NH1 2.88Å; D615-R641 IonicContact OD2-NH2 3.67Å; D615-R641 PolarHBondContact OD2-NH2 3.1Å |
| 616 | E | 86.7 | Confident | 82 | Confident | 55 Ų | 55 | 35.3 Ų | 35.3 | 26% | 0.257 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.9 | -39.4 | 176.4 | 177.3 | 57.6 | -158.6 | 0 | 0 | 111.9 | Q128 S131 F133 D612 I613 V614 T619 | Q128-E616 PolarHBondContact NE2-OE1 2.83Å; S131-E616 WeakPolarHBondContact OG-CG 3.44Å; S131-E616 PolarHBondContact OG-OE1 2.73Å; F133-E616 HydrophobicContact CE1-CB 3.77Å; F133-E616 HydrophobicContact CE1-CG 3.77Å; F133-E616 HydrophobicContact CZ-CB 4.1Å; F133-E616 HydrophobicContact CZ-CG 3.87Å; D612-E616 WeakPolarHBondContact O-CB 3.22Å; D612-E616 PolarHBondContact O-N 3.29Å; I613-E616 PolarHBondContact O-N 2.73Å; V614-E616 VanDerWaalsContact C-N 3.3Å; V614-E616 PolarHBondContact O-N 2.84Å; E616-T619 WeakPolarHBondContact O-CG2 3.45Å; E616-T619 PolarHBondContact O-N 2.85Å; E616-T619 PolarHBondContact O-OG1 3Å |
| 617 | L | 87.2 | Confident | 82.9 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -75.9 | -24.9 | 177.6 | -69.1 | 177 | 0 | 0 | 0 | 113.2 | L158 F530 P531 I613 V614 T619 Y620 | L158-L617 HydrophobicContact CD2-CD1 3.86Å; L158-L617 HydrophobicContact CG-CD1 4.18Å; F530-L617 HydrophobicContact CD1-CD1 3.88Å; F530-L617 HydrophobicContact CE1-CD1 3.16Å; F530-L617 HydrophobicContact CZ-CD1 3.83Å; P531-L617 HydrophobicContact CB-CB 4.49Å; P531-L617 HydrophobicContact CG-CB 3.65Å; I613-L617 HydrophobicContact CG2-CD1 3.87Å; I613-L617 HydrophobicContact CG2-CG 4.34Å; I613-L617 WeakPolarHBondContact O-CB 3.44Å; I613-L617 WeakPolarHBondContact O-CG 3.27Å; I613-L617 PolarHBondContact O-N 2.87Å; V614-L617 CarbonylContact O-C 3.35Å; V614-L617 PolarHBondContact O-N 2.8Å; V614-L617 VanDerWaalsContact O-N 3.08Å; L617-T619 PolarHBondContact O-N 2.88Å; L617-Y620 HydrophobicContact CD2-CD2 4.1Å; L617-Y620 HydrophobicContact CD2-CE2 3.88Å; L617-Y620 WeakPolarHBondContact O-CB 3.41Å; L617-Y620 WeakPolarHBondContact O-CD2 3.2Å; L617-Y620 PolarHBondContact O-N 2.97Å |
| 618 | M | 84.9 | Confident | 83.4 | Confident | 34 Ų | 34 | 35.6 Ų | 35.6 | 17% | 0.167 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.1 | -19.8 | 176.4 | -59.7 | -100 | -58.4 | 0 | 0 | 111.5 | P531 I532 V614 D615 Y620 E621 Q622 A626 | P531-M618 HydrophobicContact CB-SD 4.44Å; P531-M618 HydrophobicContact CG-CG 4.39Å; P531-M618 HydrophobicContact CG-SD 4.48Å; I532-M618 HydrophobicContact CD1-CE 3.56Å; I532-M618 HydrophobicContact CD1-SD 3.31Å; I532-M618 WeakPolarHBondContact CD1-SD 3.3Å; I532-M618 HydrophobicContact CG1-CE 4.1Å; I532-M618 HydrophobicContact CG1-SD 3.29Å; I532-M618 WeakPolarHBondContact CG1-SD 3.48Å; V614-M618 HydrophobicContact CG1-CG 3.75Å; V614-M618 HydrophobicContact CG1-SD 3.99Å; V614-M618 WeakPolarHBondContact O-CB 3.43Å; V614-M618 WeakPolarHBondContact O-CG 3.46Å; V614-M618 PolarHBondContact O-N 3.16Å; D615-M618 PolarHBondContact O-N 2.97Å; M618-Y620 PolarHBondContact O-N 3.04Å; M618-E621 CarbonylContact O-C 3.57Å; M618-E621 WeakPolarHBondContact O-CA 3.46Å; M618-E621 PolarHBondContact O-N 3.38Å; M618-Q622 PolarHBondContact O-N 3.43Å; M618-A626 HydrophobicContact CE-CB 4.08Å |
| 619 | T | 84.6 | Confident | 83.6 | Confident | 44 Ų | 44 | 37 Ų | 37 | 27% | 0.27 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -64.2 | -26 | 174.2 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | R39 Q128 E616 L617 E621 Q622 | R39-T619 PolarHBondContact NH1-O 2.02Å; R39-T619 VanDerWaalsContact NH1-O 3.11Å; Q128-T619 PolarHBondContact OE1-OG1 2.77Å; Q128-T619 VanDerWaalsContact OE1-OG1 3.1Å; E616-T619 WeakPolarHBondContact O-CG2 3.45Å; E616-T619 PolarHBondContact O-N 2.85Å; E616-T619 PolarHBondContact O-OG1 3Å; L617-T619 PolarHBondContact O-N 2.88Å; T619-E621 PolarHBondContact O-N 2.78Å; T619-Q622 PolarHBondContact O-N 3.24Å |
| 620 | Y | 82.9 | Confident | 83.8 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -67.3 | -19.7 | 171.9 | -67 | -76.8 | 0 | 0 | 0 | 112.7 | R39 Q128 E130 S131 P156 L617 M618 | R39-Y620 PolarHBondContact NH1-O 3.25Å; Q128-Y620 HydrophobicContact CB-CE1 4.28Å; Q128-Y620 HydrophobicContact CG-CE1 3.8Å; Q128-Y620 WeakPolarHBondContact O-CE1 3.26Å; E130-Y620 WeakPolarHBondContact CA-OH 3.22Å; E130-Y620 PolarHBondContact N-OH 3.14Å; E130-Y620 PolarHBondContact O-OH 3.34Å; E130-Y620 VanDerWaalsContact O-OH 3.12Å; S131-Y620 PolarHBondContact N-OH 2.86Å; S131-Y620 WeakPolarHBondContact OG-CE2 2.87Å; S131-Y620 PolarHBondContact OG-OH 2.94Å; P156-Y620 HydrophobicContact CB-CD2 4.48Å; P156-Y620 HydrophobicContact CB-CE2 4.26Å; P156-Y620 HydrophobicContact CG-CD1 4.45Å; P156-Y620 HydrophobicContact CG-CE1 3.88Å; P156-Y620 HydrophobicContact CG-CE2 4.3Å; L617-Y620 HydrophobicContact CD2-CD2 4.1Å; L617-Y620 HydrophobicContact CD2-CE2 3.88Å; L617-Y620 WeakPolarHBondContact O-CB 3.41Å; L617-Y620 WeakPolarHBondContact O-CD2 3.2Å; L617-Y620 PolarHBondContact O-N 2.97Å; M618-Y620 PolarHBondContact O-N 3.04Å |
| 621 | E | 82.1 | Confident | 83.9 | Confident | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -112.7 | 13 | -177.9 | -73.7 | -71.4 | -174.7 | 0 | 0 | 113.4 | S500 N501 G502 I532 M618 T619 H623 S624 | S500-E621 VanDerWaalsContact C-OE1 3.32Å; N501-E621 WeakPolarHBondContact CA-OE1 3.3Å; N501-E621 PolarHBondContact N-OE1 3.15Å; G502-E621 PolarHBondContact N-OE1 3.48Å; I532-E621 HydrophobicContact CD1-CB 4.04Å; M618-E621 CarbonylContact O-C 3.57Å; M618-E621 WeakPolarHBondContact O-CA 3.46Å; M618-E621 PolarHBondContact O-N 3.38Å; T619-E621 PolarHBondContact O-N 2.78Å; E621-H623 PolarHBondContact O-N 2.72Å; E621-S624 PolarHBondContact O-N 3.12Å; E621-S624 PolarHBondContact O-OG 3.11Å; E621-S624 WeakPolarHBondContact OE2-CB 3.49Å; E621-S624 PolarHBondContact OE2-OG 3.37Å |
| 622 | Q | 77.5 | Confident | 83.9 | Confident | 158 Ų | 158 | 33.7 Ų | 33.7 | 74% | 0.738 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | -19.1 | -177.1 | -166.9 | 178.9 | 9.1 | 0 | 0 | 114.9 | M618 T619 | M618-Q622 PolarHBondContact O-N 3.43Å; T619-Q622 PolarHBondContact O-N 3.24Å |
| 623 | H | 77.6 | Confident | 83.6 | Confident | 93 Ų | 93 | 34 Ų | 34 | 43% | 0.431 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -13.9 | 179.9 | -56.3 | 75.8 | 0 | 0 | 0 | 113.2 | R39 E621 | R39-H623 PolarHBondContact NH1-ND1 3.41Å; E621-H623 PolarHBondContact O-N 2.72Å |
| 624 | S | 84.5 | Confident | 82.6 | Confident | 15 Ų | 15 | 37.5 Ų | 37.5 | 11% | 0.105 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -106.1 | 164.7 | 178.9 | 65.8 | 0 | 0 | 0 | 0 | 110.3 | H534 E621 A626 S659 | H534-S624 WeakPolarHBondContact NE2-CB 3.49Å; H534-S624 PolarHBondContact NE2-OG 3.38Å; E621-S624 PolarHBondContact O-N 3.12Å; E621-S624 PolarHBondContact O-OG 3.11Å; E621-S624 WeakPolarHBondContact OE2-CB 3.49Å; E621-S624 PolarHBondContact OE2-OG 3.37Å; S624-A626 PolarHBondContact O-N 3.24Å; S624-S659 WeakPolarHBondContact CA-O 3.47Å |
| 625 | Q | 83.9 | Confident | 81.3 | Confident | 21 Ų | 21 | 41.8 Ų | 41.8 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -73.1 | 119.3 | -178.8 | 179 | -173.3 | -20.9 | 0 | 0 | 111.3 | H534 T552 S647 S648 N649 S659 | H534-Q625 PolarHBondContact CE1-O 3.35Å; H534-Q625 VanDerWaalsContact CE1-O 3.24Å; T552-Q625 WeakPolarHBondContact CG2-O 3.39Å; Q625-S647 PolarHBondContact NE2-O 3.07Å; Q625-S647 VanDerWaalsContact NE2-O 3.12Å; Q625-S648 VanDerWaalsContact OE1-CA 3.31Å; Q625-N649 PolarHBondContact NE2-OD1 2.82Å; Q625-S659 PolarHBondContact N-O 3.09Å |
| 626 | A | 83 | Confident | 79.8 | Confident | 50 Ų | 50 | 42.4 Ų | 42.4 | 41% | 0.413 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -66.1 | 149 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | M618 S624 | M618-A626 HydrophobicContact CE-CB 4.08Å; S624-A626 PolarHBondContact O-N 3.24Å |
| 627 | P | 86.9 | Confident | 78.4 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.032 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 161 | 168.9 | 28.4 | -34.7 | 0 | 0 | 0 | 111 | I532 T552 V629 Y643 T646 | I532-P627 HydrophobicContact CG1-CG 4.25Å; T552-P627 HydrophobicContact CG2-CB 4.16Å; P627-V629 WeakPolarHBondContact O-CG2 3.3Å; P627-V629 PolarHBondContact O-N 2.92Å; P627-Y643 HydrophobicContact CG-CD1 4.18Å; P627-T646 HydrophobicContact CB-CG2 4.25Å |
| 628 | L | 87.8 | Confident | 77.2 | Confident | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.089 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 120.8 | 177.9 | -66.8 | -174.4 | 0 | 0 | 0 | 108.2 | L360 Y376 L644 T646 | L360-L628 HydrophobicContact CB-CB 4.34Å; L360-L628 HydrophobicContact CB-CD1 3.83Å; L360-L628 HydrophobicContact CB-CG 4.45Å; Y376-L628 HydrophobicContact CD2-CD1 3.7Å; Y376-L628 HydrophobicContact CE2-CD1 4.35Å; Y376-L628 HydrophobicContact CG-CD1 4.37Å; L628-L644 HydrophobicContact CB-CB 4.27Å; L628-L644 PolarHBondContact O-N 2.76Å; L628-T646 HydrophobicContact CB-CG2 3.79Å; L628-T646 HydrophobicContact CD1-CG2 4.25Å; L628-T646 HydrophobicContact CD2-CG2 4.38Å; L628-T646 HydrophobicContact CG-CG2 3.45Å; L628-T646 VanDerWaalsContact CG-CG2 3.45Å |
| 629 | V | 86.2 | Confident | 76.6 | Confident | 52 Ų | 52 | 46.4 Ų | 46.4 | 32% | 0.315 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 135.5 | -178.9 | -173.2 | 0 | 0 | 0 | 0 | 110.1 | P627 R641 I642 Y643 | P627-V629 WeakPolarHBondContact O-CG2 3.3Å; P627-V629 PolarHBondContact O-N 2.92Å; V629-R641 HydrophobicContact CG1-CB 4.27Å; V629-R641 HydrophobicContact CG1-CG 4.47Å; V629-I642 WeakPolarHBondContact CA-O 3.04Å; V629-Y643 HydrophobicContact CB-CD1 4.47Å; V629-Y643 HydrophobicContact CG1-CD1 4.34Å; V629-Y643 HydrophobicContact CG1-CE1 4.1Å; V629-Y643 HydrophobicContact CG2-CD1 3.44Å; V629-Y643 VanDerWaalsContact CG2-CD1 3.44Å; V629-Y643 HydrophobicContact CG2-CE1 3.59Å; V629-Y643 HydrophobicContact CG2-CG 4.48Å |
| 630 | H | 85.2 | Confident | 76.2 | Confident | 15 Ų | 15 | 50 Ų | 50 | 7% | 0.069 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 136.1 | 161 | -172.1 | 74.4 | 0 | 0 | 0 | 109.9 | L360 V378 W632 R641 I642 | L360-H630 HydrophobicContact CD1-CB 4.36Å; L360-H630 HydrophobicContact CD2-CB 4.29Å; V378-H630 HydrophobicContact CG2-CB 4.2Å; H630-W632 AromaticContact CD2-CD2 3.67Å; H630-W632 AromaticContact CD2-CE2 3.56Å; H630-W632 AromaticContact CD2-CE3 3.89Å; H630-W632 AromaticContact CD2-CH2 4Å; H630-W632 AromaticContact CD2-CZ2 3.74Å; H630-W632 AromaticContact NE2-CD2 3.93Å; H630-W632 AromaticContact NE2-CE3 3.65Å; H630-W632 AromaticContact NE2-CH2 3.94Å; H630-W632 AromaticContact NE2-CZ3 3.65Å; H630-R641 WeakPolarHBondContact O-CA 3.31Å; H630-I642 PolarHBondContact N-O 3.28Å; H630-I642 PolarHBondContact O-N 2.8Å |
| 631 | T | 82.4 | Confident | 76.1 | Confident | 25 Ų | 25 | 53 Ų | 53 | 15% | 0.153 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 114.5 | -179.3 | -57.7 | 0 | 0 | 0 | 0 | 109.1 | Y633 I639 R641 | T631-Y633 HydrophobicContact CG2-CD2 4.35Å; T631-Y633 HydrophobicContact CG2-CE1 4Å; T631-Y633 HydrophobicContact CG2-CE2 3.75Å; T631-Y633 WeakPolarHBondContact O-CD2 3.48Å; T631-Y633 WeakPolarHBondContact O-CE2 3.49Å; T631-I639 HydrophobicContact CG2-CG2 3.27Å; T631-R641 HydrophobicContact CG2-CG 4.03Å |
| 632 | W | 81.4 | Confident | 76.2 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 2% | 0.019 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 126.9 | 171.1 | -61.9 | 110.9 | 0 | 0 | 0 | 110.4 | V378 M386 D417 V419 H630 E634 K640 | V378-W632 HydrophobicContact CG1-CH2 3.41Å; V378-W632 VanDerWaalsContact CG1-CH2 3.41Å; V378-W632 HydrophobicContact CG1-CZ2 3.86Å; V378-W632 HydrophobicContact CG1-CZ3 4.14Å; M386-W632 VanDerWaalsContact CA-CZ3 3.44Å; M386-W632 HydrophobicContact CB-CD2 4.23Å; M386-W632 HydrophobicContact CB-CE3 3.69Å; M386-W632 HydrophobicContact CB-CH2 4.27Å; M386-W632 HydrophobicContact CB-CZ3 3.72Å; M386-W632 HydrophobicContact CG-CE3 4.24Å; M386-W632 HydrophobicContact CG-CH2 3.93Å; M386-W632 HydrophobicContact CG-CZ2 4.35Å; M386-W632 HydrophobicContact CG-CZ3 3.88Å; D417-W632 WeakPolarHBondContact O-CZ2 3.45Å; V419-W632 HydrophobicContact CG2-CZ2 4.14Å; H630-W632 AromaticContact CD2-CD2 3.67Å; H630-W632 AromaticContact CD2-CE2 3.56Å; H630-W632 AromaticContact CD2-CE3 3.89Å; H630-W632 AromaticContact CD2-CH2 4Å; H630-W632 AromaticContact CD2-CZ2 3.74Å; H630-W632 AromaticContact NE2-CD2 3.93Å; H630-W632 AromaticContact NE2-CE3 3.65Å; H630-W632 AromaticContact NE2-CH2 3.94Å; H630-W632 AromaticContact NE2-CZ3 3.65Å; W632-E634 HydrophobicContact CB-CG 4.32Å; W632-E634 PolarHBondContact O-N 3.19Å; W632-K640 HydrophobicContact CB-CB 4.35Å; W632-K640 WeakPolarHBondContact CB-O 3.29Å; W632-K640 PolarHBondContact N-O 2.96Å; W632-K640 PolarHBondContact O-N 3.07Å |
| 633 | Y | 73.9 | Confident | 76.7 | Confident | 51 Ų | 51 | 47.8 Ų | 47.8 | 20% | 0.2 | 24% | 0.235 | C | C | . | . | trans | -98.9 | 73.3 | 173.5 | -59.5 | -89.2 | 0 | 0 | 0 | 108.5 | G384 S385 T631 I639 P729 P731 | G384-Y633 PolarHBondContact O-N 2.83Å; S385-Y633 WeakPolarHBondContact CB-O 3.39Å; T631-Y633 HydrophobicContact CG2-CD2 4.35Å; T631-Y633 HydrophobicContact CG2-CE1 4Å; T631-Y633 HydrophobicContact CG2-CE2 3.75Å; T631-Y633 WeakPolarHBondContact O-CD2 3.48Å; T631-Y633 WeakPolarHBondContact O-CE2 3.49Å; Y633-I639 HydrophobicContact CD1-CG1 4.44Å; Y633-P729 HydrophobicContact CD2-CB 4.4Å; Y633-P729 HydrophobicContact CD2-CG 3.98Å; Y633-P729 HydrophobicContact CE2-CB 4.32Å; Y633-P729 HydrophobicContact CE2-CG 3.68Å; Y633-P729 PolarHBondContact OH-O 2.85Å; Y633-P731 HydrophobicContact CD1-CB 4.11Å; Y633-P731 HydrophobicContact CE1-CB 3.88Å; Y633-P731 HydrophobicContact CE1-CG 4.06Å | ||
| 634 | E | 64.5 | Low | 77.2 | Confident | 72 Ų | 72 | 43.5 Ų | 43.5 | 34% | 0.336 | 22% | 0.216 | S | C | . | . | trans | -86.3 | 125.9 | 175.8 | -70.5 | -171.5 | 156.8 | 0 | 0 | 110.6 | W632 F636 | W632-E634 HydrophobicContact CB-CG 4.32Å; W632-E634 PolarHBondContact O-N 3.19Å; E634-F636 PolarHBondContact O-N 3.13Å | ||
| 635 | D | 59.2 | Low | 77.4 | Confident | 90 Ų | 90 | 43 Ų | 43 | 48% | 0.481 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 36.5 | 82 | 167.3 | -65.2 | -17.9 | 0 | 0 | 0 | 115.6 | R241 K637 | R241-D635 IonicContact NH2-OD1 3.32Å; R241-D635 PolarHBondContact NH2-OD1 3.49Å; D635-K637 WeakPolarHBondContact O-CA 2.96Å; D635-K637 WeakPolarHBondContact O-CB 3.25Å; D635-K637 PolarHBondContact O-N 2.89Å |
| 636 | F | 53.8 | Low | 77.6 | Confident | 79 Ų | 79 | 42.1 Ų | 42.1 | 35% | 0.346 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 37.2 | -52.3 | 167.4 | -52.5 | -50.5 | 0 | 0 | 0 | 119.6 | L240 R241 E634 R733 | L240-F636 HydrophobicContact CB-CD1 4.04Å; L240-F636 HydrophobicContact CB-CE1 3.37Å; L240-F636 HydrophobicContact CB-CE2 4.37Å; L240-F636 HydrophobicContact CB-CZ 3.53Å; L240-F636 HydrophobicContact CD1-CB 4.21Å; L240-F636 HydrophobicContact CD1-CD1 3.28Å; L240-F636 HydrophobicContact CD1-CD2 3.78Å; L240-F636 HydrophobicContact CD1-CE1 3.51Å; L240-F636 HydrophobicContact CD1-CE2 3.9Å; L240-F636 HydrophobicContact CD1-CG 3.46Å; L240-F636 VanDerWaalsContact CD1-CG 3.46Å; L240-F636 HydrophobicContact CD1-CZ 3.78Å; L240-F636 HydrophobicContact CG-CD1 4.21Å; L240-F636 HydrophobicContact CG-CE1 3.92Å; L240-F636 HydrophobicContact CG-CE2 4.29Å; L240-F636 HydrophobicContact CG-CZ 3.92Å; R241-F636 HydrophobicContact CG-CE1 4.03Å; R241-F636 HydrophobicContact CG-CZ 3.99Å; E634-F636 PolarHBondContact O-N 3.13Å; F636-R733 PolarHBondContact O-NE 2.82Å; F636-R733 PolarHBondContact O-NH2 3.15Å |
| 637 | K | 56.9 | Low | 77.8 | Confident | 93 Ų | 93 | 41.1 Ų | 41.1 | 40% | 0.404 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -40.7 | -178.6 | -64.1 | -179.3 | -176.4 | 179.6 | 0 | 112.7 | Y600 R609 D635 | Y600-K637 HydrophobicContact CD1-CB 4.49Å; Y600-K637 HydrophobicContact CD1-CG 4.26Å; Y600-K637 HydrophobicContact CE1-CB 3.77Å; Y600-K637 HydrophobicContact CE1-CG 4.02Å; Y600-K637 PolarHBondContact OH-O 3.06Å; R609-K637 PolarHBondContact NH1-O 2.93Å; D635-K637 WeakPolarHBondContact O-CA 2.96Å; D635-K637 WeakPolarHBondContact O-CB 3.25Å; D635-K637 PolarHBondContact O-N 2.89Å |
| 638 | D | 62.6 | Low | 77.8 | Confident | 60 Ų | 60 | 41.2 Ų | 41.2 | 32% | 0.321 | 20% | 0.199 | S | C | . | . | trans | -128.7 | 151.4 | -168.5 | -141.3 | -10.2 | 0 | 0 | 0 | 114.3 | ||||
| 639 | I | 71.2 | Confident | 77.6 | Confident | 20 Ų | 20 | 40.8 Ų | 40.8 | 10% | 0.103 | 20% | 0.197 | C | C | . | . | trans | -125.2 | 114.1 | 174.6 | -65.1 | 174.1 | 0 | 0 | 0 | 105.3 | Y611 T631 Y633 | Y611-I639 HydrophobicContact CD1-CB 4.13Å; Y611-I639 HydrophobicContact CD1-CG2 4.4Å; Y611-I639 HydrophobicContact CE1-CB 3.95Å; Y611-I639 HydrophobicContact CE1-CD1 4.01Å; Y611-I639 HydrophobicContact CE1-CG1 4.41Å; T631-I639 HydrophobicContact CG2-CG2 3.27Å; Y633-I639 HydrophobicContact CD1-CG1 4.44Å | ||
| 640 | K | 77.3 | Confident | 77.5 | Confident | 120 Ų | 120 | 38.5 Ų | 38.5 | 52% | 0.522 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 116.6 | -177.9 | -173.4 | 178.6 | -179.5 | -176.3 | 0 | 109.2 | W632 | W632-K640 HydrophobicContact CB-CB 4.35Å; W632-K640 WeakPolarHBondContact CB-O 3.29Å; W632-K640 PolarHBondContact N-O 2.96Å; W632-K640 PolarHBondContact O-N 3.07Å |
| 641 | R | 80.2 | Confident | 77.5 | Confident | 63 Ų | 63 | 37.9 Ų | 37.9 | 24% | 0.238 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 134.3 | 174.9 | -66.4 | -172.5 | -178.8 | 177.2 | 4.5 | 110.4 | D615 V629 H630 T631 Y643 | D615-R641 IonicContact OD1-CZ 3.46Å; D615-R641 IonicContact OD1-NH1 3.67Å; D615-R641 PolarHBondContact OD1-NH1 3.1Å; D615-R641 IonicContact OD1-NH2 2.73Å; D615-R641 IonicContact OD2-CZ 2.64Å; D615-R641 VanDerWaalsContact OD2-CZ 3.27Å; D615-R641 IonicContact OD2-NH1 3.9Å; D615-R641 PolarHBondContact OD2-NH1 2.88Å; D615-R641 IonicContact OD2-NH2 3.67Å; D615-R641 PolarHBondContact OD2-NH2 3.1Å; V629-R641 HydrophobicContact CG1-CB 4.27Å; V629-R641 HydrophobicContact CG1-CG 4.47Å; H630-R641 WeakPolarHBondContact O-CA 3.31Å; T631-R641 HydrophobicContact CG2-CG 4.03Å; R641-Y643 HydrophobicContact CB-CE2 3.86Å; R641-Y643 WeakPolarHBondContact CD-OH 3.07Å |
| 642 | I | 84.8 | Confident | 77.7 | Confident | 34 Ų | 34 | 36.9 Ų | 36.9 | 17% | 0.174 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122.6 | 170 | -58.6 | -171.6 | 0 | 0 | 0 | 107.4 | V419 V629 H630 L644 | V419-I642 HydrophobicContact CG2-CD1 4.44Å; V629-I642 WeakPolarHBondContact CA-O 3.04Å; H630-I642 PolarHBondContact N-O 3.28Å; H630-I642 PolarHBondContact O-N 2.8Å; I642-L644 HydrophobicContact CG2-CD2 3.94Å; I642-L644 HydrophobicContact CG2-CG 4.16Å |
| 643 | Y | 87.5 | Confident | 78 | Confident | 24 Ų | 24 | 37 Ų | 37 | 9% | 0.094 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 122.3 | 171.8 | -57.3 | -88.7 | 0 | 0 | 0 | 107.9 | Y554 V614 P627 V629 R641 | Y554-Y643 AromaticContact CD1-CD2 3.53Å; Y554-Y643 HydrophobicContact CD1-CD2 3.53Å; Y554-Y643 HydrophobicContact CD1-CE2 4.23Å; Y554-Y643 AromaticContact CD1-CG 3.91Å; Y554-Y643 HydrophobicContact CD1-CG 3.91Å; Y554-Y643 HydrophobicContact CD2-CD1 4.06Å; Y554-Y643 AromaticContact CD2-CD2 3.91Å; Y554-Y643 HydrophobicContact CD2-CD2 3.91Å; Y554-Y643 HydrophobicContact CD2-CE1 4.31Å; Y554-Y643 HydrophobicContact CD2-CE2 4.14Å; Y554-Y643 AromaticContact CD2-CG 3.89Å; Y554-Y643 HydrophobicContact CD2-CG 3.89Å; Y554-Y643 AromaticContact CE1-CD2 3.73Å; Y554-Y643 HydrophobicContact CE1-CD2 3.73Å; Y554-Y643 HydrophobicContact CE1-CE2 4Å; Y554-Y643 HydrophobicContact CE2-CD2 4.11Å; Y554-Y643 AromaticContact CE2-CE2 3.93Å; Y554-Y643 HydrophobicContact CE2-CE2 3.93Å; Y554-Y643 HydrophobicContact CG-CD1 4.14Å; Y554-Y643 AromaticContact CG-CD2 3.62Å; Y554-Y643 HydrophobicContact CG-CD2 3.62Å; Y554-Y643 HydrophobicContact CG-CE2 4.29Å; Y554-Y643 AromaticContact CG-CG 3.56Å; Y554-Y643 HydrophobicContact CG-CG 3.56Å; Y554-Y643 AromaticContact CZ-CE2 3.84Å; V614-Y643 HydrophobicContact CG1-CE1 4.21Å; V614-Y643 VanDerWaalsContact CG1-OH 3.28Å; V614-Y643 WeakPolarHBondContact CG1-OH 3.31Å; P627-Y643 HydrophobicContact CG-CD1 4.18Å; V629-Y643 HydrophobicContact CB-CD1 4.47Å; V629-Y643 HydrophobicContact CG1-CD1 4.34Å; V629-Y643 HydrophobicContact CG1-CE1 4.1Å; V629-Y643 HydrophobicContact CG2-CD1 3.44Å; V629-Y643 VanDerWaalsContact CG2-CD1 3.44Å; V629-Y643 HydrophobicContact CG2-CE1 3.59Å; V629-Y643 HydrophobicContact CG2-CG 4.48Å; R641-Y643 HydrophobicContact CB-CE2 3.86Å; R641-Y643 WeakPolarHBondContact CD-OH 3.07Å |
| 644 | L | 87.7 | Confident | 78.7 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 140.7 | 179.2 | -63.2 | 167.2 | 0 | 0 | 0 | 109.5 | L360 Y376 V419 L628 I642 T646 | L360-L644 HydrophobicContact CD1-CD1 3.46Å; L360-L644 VanDerWaalsContact CD1-CD1 3.46Å; Y376-L644 HydrophobicContact CD1-CD1 3.77Å; Y376-L644 HydrophobicContact CE1-CB 4.48Å; Y376-L644 HydrophobicContact CE1-CD1 4.26Å; Y376-L644 HydrophobicContact CE1-CD2 4.48Å; Y376-L644 HydrophobicContact CG-CD1 4.13Å; V419-L644 HydrophobicContact CG1-CD1 3.91Å; V419-L644 HydrophobicContact CG1-CD2 4.48Å; L628-L644 HydrophobicContact CB-CB 4.27Å; L628-L644 PolarHBondContact O-N 2.76Å; I642-L644 HydrophobicContact CG2-CD2 3.94Å; I642-L644 HydrophobicContact CG2-CG 4.16Å; L644-T646 WeakPolarHBondContact O-CG2 3.24Å |
| 645 | P | 89.5 | Confident | 79.7 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | trans | -68.3 | 139.8 | 174.4 | 28.8 | -34.2 | 0 | 0 | 0 | 110.7 | Y376 T470 F473 L551 T552 F553 | Y376-P645 PolarHBondContact OH-O 2.96Å; T470-P645 HydrophobicContact CG2-CB 3.53Å; T470-P645 HydrophobicContact CG2-CG 3.5Å; F473-P645 HydrophobicContact CD1-CG 3.79Å; F473-P645 HydrophobicContact CE1-CG 4.45Å; L551-P645 HydrophobicContact CD1-CB 4.35Å; T552-P645 CarbonylContact O-C 3.52Å; T552-P645 VanDerWaalsContact O-CA 3.23Å; T552-P645 WeakPolarHBondContact O-CA 3.21Å; F553-P645 HydrophobicContact CB-CB 4.17Å | ||
| 646 | T | 87.6 | Confident | 81.2 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 138.9 | -167.9 | 77.4 | 0 | 0 | 0 | 0 | 111.6 | T552 P627 L628 L644 | T552-T646 WeakPolarHBondContact CB-OG1 3.45Å; T552-T646 PolarHBondContact N-O 2.91Å; T552-T646 PolarHBondContact O-N 2.9Å; P627-T646 HydrophobicContact CB-CG2 4.25Å; L628-T646 HydrophobicContact CB-CG2 3.79Å; L628-T646 HydrophobicContact CD1-CG2 4.25Å; L628-T646 HydrophobicContact CD2-CG2 4.38Å; L628-T646 HydrophobicContact CG-CG2 3.45Å; L628-T646 VanDerWaalsContact CG-CG2 3.45Å; L644-T646 WeakPolarHBondContact O-CG2 3.24Å |
| 647 | S | 87.6 | Confident | 82.9 | Confident | 30 Ų | 30 | 26.9 Ų | 26.9 | 21% | 0.21 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 156.2 | 164.6 | 60.8 | 0 | 0 | 0 | 0 | 111.3 | R365 S550 Q625 | R365-S647 PolarHBondContact NH2-OG 2.78Å; S550-S647 WeakPolarHBondContact O-CA 3.41Å; Q625-S647 PolarHBondContact NE2-O 3.07Å; Q625-S647 VanDerWaalsContact NE2-O 3.12Å |
| 648 | S | 87.1 | Confident | 84.4 | Confident | 6 Ų | 6 | 26.5 Ų | 26.5 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | trans | -50.7 | 144.3 | 173 | -152.1 | 0 | 0 | 0 | 0 | 113.1 | P366 S550 Q625 G650 | P366-S648 WeakPolarHBondContact CG-O 3.44Å; S550-S648 PolarHBondContact O-N 3.38Å; S550-S648 WeakPolarHBondContact OG-CB 3.32Å; S550-S648 PolarHBondContact OG-OG 2.88Å; S550-S648 VanDerWaalsContact OG-OG 3.09Å; Q625-S648 VanDerWaalsContact OE1-CA 3.31Å; S648-G650 VanDerWaalsContact C-N 3.25Å; S648-G650 PolarHBondContact OG-N 3.19Å | ||
| 649 | N | 83.4 | Confident | 85.6 | Confident | 9 Ų | 9 | 25 Ų | 25 | 5% | 0.048 | 13% | 0.129 | C | C | . | . | trans | -85.1 | 2.8 | 164.8 | -70.6 | -6.7 | 0 | 0 | 0 | 112 | Q625 D720 | Q625-N649 PolarHBondContact NE2-OD1 2.82Å; N649-D720 PolarHBondContact ND2-OD1 2.76Å | ||
| 650 | G | 83.7 | Confident | 86.5 | Confident | 3 Ų | 3 | 24 Ų | 24 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | trans | -63.8 | 132.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S648 S655 | S648-G650 VanDerWaalsContact C-N 3.25Å; S648-G650 PolarHBondContact OG-N 3.19Å; G650-S655 WeakPolarHBondContact CA-OG 3.44Å | ||
| 651 | A | 84.9 | Confident | 87 | Confident | 2 Ų | 2 | 18.8 Ų | 18.8 | 2% | 0.017 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -86.4 | -15.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F456 N459 S655 Y692 I716 | F456-A651 HydrophobicContact CE2-CB 3.66Å; F456-A651 HydrophobicContact CZ-CB 3.97Å; N459-A651 PolarHBondContact N-O 2.77Å; A651-S655 PolarHBondContact N-OG 2.88Å; A651-Y692 HydrophobicContact CB-CD1 3.93Å; A651-Y692 HydrophobicContact CB-CD2 4.26Å; A651-Y692 HydrophobicContact CB-CE1 3.61Å; A651-Y692 HydrophobicContact CB-CE2 3.96Å; A651-Y692 HydrophobicContact CB-CG 4.23Å; A651-I716 HydrophobicContact CB-CD1 4.2Å |
| 652 | D | 86.5 | Confident | 87.6 | Confident | 4 Ų | 4 | 15.9 Ų | 15.9 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -152.3 | 173.8 | 179.5 | 66.3 | 7.5 | 0 | 0 | 0 | 111.2 | N654 S655 T656 K672 A673 Y692 | D652-N654 VanDerWaalsContact C-N 3.28Å; D652-N654 PolarHBondContact O-N 3.24Å; D652-N654 PolarHBondContact OD1-N 3.12Å; D652-S655 PolarHBondContact N-OG 3.07Å; D652-S655 PolarHBondContact O-N 3.33Å; D652-S655 PolarHBondContact O-OG 3.32Å; D652-S655 VanDerWaalsContact O-OG 3.05Å; D652-S655 WeakPolarHBondContact OD1-CB 3.38Å; D652-S655 PolarHBondContact OD1-N 3.21Å; D652-S655 PolarHBondContact OD1-OG 2.62Å; D652-T656 VanDerWaalsContact O-CG2 3.29Å; D652-T656 WeakPolarHBondContact O-CG2 3.41Å; D652-T656 PolarHBondContact O-N 2.8Å; D652-T656 PolarHBondContact O-OG1 3.41Å; D652-K672 WeakPolarHBondContact OD2-CA 3.46Å; D652-A673 PolarHBondContact OD2-N 3.03Å; D652-Y692 HydrophobicContact CB-CE1 4.47Å |
| 653 | T | 88.4 | Confident | 87.9 | Confident | 7 Ų | 7 | 15.6 Ų | 15.6 | 4% | 0.043 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.7 | -38.9 | -178.3 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | I546 S548 T656 M657 F670 T671 | I546-T653 HydrophobicContact CB-CG2 4.35Å; I546-T653 HydrophobicContact CG2-CG2 3.84Å; I546-T653 PolarHBondContact O-OG1 3.23Å; S548-T653 WeakPolarHBondContact OG-CA 3.45Å; S548-T653 WeakPolarHBondContact OG-CG2 3.36Å; T653-T656 WeakPolarHBondContact CA-OG1 3.36Å; T653-T656 PolarHBondContact O-OG1 3.41Å; T653-M657 VanDerWaalsContact O-CG 3.23Å; T653-M657 WeakPolarHBondContact O-CG 3.27Å; T653-M657 PolarHBondContact O-N 3.12Å; T653-M657 VanDerWaalsContact O-N 3.17Å; T653-F670 HydrophobicContact CG2-CB 3.71Å; T653-T671 WeakPolarHBondContact CB-OG1 3.36Å; T653-T671 PolarHBondContact N-O 2.99Å; T653-T671 PolarHBondContact N-OG1 3.04Å; T653-T671 PolarHBondContact OG1-OG1 3.17Å |
| 654 | N | 87.6 | Confident | 88 | Confident | 51 Ų | 51 | 15.2 Ų | 15.2 | 27% | 0.273 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -67 | -46 | 179.1 | -175.3 | 46.5 | 0 | 0 | 0 | 113 | D652 M657 N658 F670 T671 K672 | D652-N654 VanDerWaalsContact C-N 3.28Å; D652-N654 PolarHBondContact O-N 3.24Å; D652-N654 PolarHBondContact OD1-N 3.12Å; N654-M657 PolarHBondContact O-N 2.98Å; N654-N658 WeakPolarHBondContact O-CB 3.39Å; N654-N658 PolarHBondContact O-N 3.28Å; N654-F670 HydrophobicContact CB-CD2 4.02Å; N654-F670 HydrophobicContact CB-CE2 3.88Å; N654-T671 PolarHBondContact N-O 3.41Å; N654-K672 HydrophobicContact CB-CB 4.36Å; N654-K672 HydrophobicContact CB-CG 4.18Å |
| 655 | S | 85.9 | Confident | 88 | Confident | 22 Ų | 22 | 15.3 Ų | 15.3 | 15% | 0.154 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.1 | -35.9 | 178.3 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | G650 A651 D652 M657 N658 S659 | G650-S655 WeakPolarHBondContact CA-OG 3.44Å; A651-S655 PolarHBondContact N-OG 2.88Å; D652-S655 PolarHBondContact N-OG 3.07Å; D652-S655 PolarHBondContact O-N 3.33Å; D652-S655 PolarHBondContact O-OG 3.32Å; D652-S655 VanDerWaalsContact O-OG 3.05Å; D652-S655 WeakPolarHBondContact OD1-CB 3.38Å; D652-S655 PolarHBondContact OD1-N 3.21Å; D652-S655 PolarHBondContact OD1-OG 2.62Å; S655-M657 VanDerWaalsContact C-N 3.34Å; S655-M657 PolarHBondContact O-N 2.87Å; S655-N658 PolarHBondContact O-N 2.91Å; S655-S659 VanDerWaalsContact O-CB 3.31Å; S655-S659 WeakPolarHBondContact O-CB 3.48Å; S655-S659 PolarHBondContact O-N 2.79Å; S655-S659 PolarHBondContact O-OG 2.95Å |
| 656 | T | 90.3 | Very high | 87.9 | Confident | 6 Ų | 6 | 16.2 Ų | 16.2 | 4% | 0.037 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 173.1 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | S548 D652 T653 S660 | S548-T656 PolarHBondContact OG-OG1 2.87Å; D652-T656 VanDerWaalsContact O-CG2 3.29Å; D652-T656 WeakPolarHBondContact O-CG2 3.41Å; D652-T656 PolarHBondContact O-N 2.8Å; D652-T656 PolarHBondContact O-OG1 3.41Å; T653-T656 WeakPolarHBondContact CA-OG1 3.36Å; T653-T656 PolarHBondContact O-OG1 3.41Å; T656-S660 PolarHBondContact O-N 3.38Å; T656-S660 VanDerWaalsContact O-N 3.17Å; T656-S660 PolarHBondContact O-OG 3Å |
| 657 | M | 90.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.7 | -47.6 | 174.7 | -67.8 | -71 | 172 | 0 | 0 | 111.3 | L35 V536 Y538 T653 N654 S655 S659 S660 G661 L662 I664 | L35-M657 HydrophobicContact CD2-CE 4.44Å; L35-M657 HydrophobicContact CD2-SD 3.86Å; V536-M657 HydrophobicContact CG1-CE 3.75Å; V536-M657 HydrophobicContact CG1-SD 3.71Å; Y538-M657 HydrophobicContact CD1-CE 4.49Å; T653-M657 VanDerWaalsContact O-CG 3.23Å; T653-M657 WeakPolarHBondContact O-CG 3.27Å; T653-M657 PolarHBondContact O-N 3.12Å; T653-M657 VanDerWaalsContact O-N 3.17Å; N654-M657 PolarHBondContact O-N 2.98Å; S655-M657 VanDerWaalsContact C-N 3.34Å; S655-M657 PolarHBondContact O-N 2.87Å; M657-S659 PolarHBondContact O-N 2.92Å; M657-S660 PolarHBondContact O-N 2.68Å; M657-S660 VanDerWaalsContact O-N 3.14Å; M657-S660 PolarHBondContact O-OG 2.8Å; M657-G661 PolarHBondContact O-N 2.97Å; M657-L662 CarbonylContact C-O 3.6Å; M657-L662 PolarHBondContact O-N 3.27Å; M657-I664 HydrophobicContact CE-CD1 4.22Å; M657-I664 HydrophobicContact CG-CB 4.36Å; M657-I664 HydrophobicContact CG-CD1 4.44Å; M657-I664 HydrophobicContact CG-CG2 4.43Å |
| 658 | N | 88 | Confident | 87.2 | Confident | 85 Ų | 85 | 18.2 Ų | 18.2 | 46% | 0.455 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -64.3 | -42.2 | 179.8 | -167.2 | 24.4 | 0 | 0 | 0 | 112.4 | N654 S655 S660 G661 | N654-N658 WeakPolarHBondContact O-CB 3.39Å; N654-N658 PolarHBondContact O-N 3.28Å; S655-N658 PolarHBondContact O-N 2.91Å; N658-S660 PolarHBondContact O-N 2.79Å; N658-G661 PolarHBondContact O-N 3.13Å |
| 659 | S | 87.6 | Confident | 86.8 | Confident | 28 Ų | 28 | 22.8 Ų | 22.8 | 20% | 0.196 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.2 | -23.2 | 175.6 | -63.5 | 0 | 0 | 0 | 0 | 113 | S624 Q625 S655 M657 G661 | S624-S659 WeakPolarHBondContact CA-O 3.47Å; Q625-S659 PolarHBondContact N-O 3.09Å; S655-S659 VanDerWaalsContact O-CB 3.31Å; S655-S659 WeakPolarHBondContact O-CB 3.48Å; S655-S659 PolarHBondContact O-N 2.79Å; S655-S659 PolarHBondContact O-OG 2.95Å; M657-S659 PolarHBondContact O-N 2.92Å; S659-G661 VanDerWaalsContact C-N 3.32Å |
| 660 | S | 90 | Very high | 86.5 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 4.9 | 171.8 | 71.3 | 0 | 0 | 0 | 0 | 114.2 | V536 T656 M657 N658 | V536-S660 WeakPolarHBondContact CG2-OG 3.45Å; T656-S660 PolarHBondContact O-N 3.38Å; T656-S660 VanDerWaalsContact O-N 3.17Å; T656-S660 PolarHBondContact O-OG 3Å; M657-S660 PolarHBondContact O-N 2.68Å; M657-S660 VanDerWaalsContact O-N 3.14Å; M657-S660 PolarHBondContact O-OG 2.8Å; N658-S660 PolarHBondContact O-N 2.79Å |
| 661 | G | 89.3 | Confident | 86 | Confident | 10 Ų | 10 | 24.6 Ų | 24.6 | 10% | 0.103 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 13.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | N38 M657 N658 S659 | N38-G661 WeakPolarHBondContact CB-O 3.14Å; N38-G661 PolarHBondContact N-O 3.08Å; M657-G661 PolarHBondContact O-N 2.97Å; N658-G661 PolarHBondContact O-N 3.13Å; S659-G661 VanDerWaalsContact C-N 3.32Å |
| 662 | L | 91.6 | Very high | 85.4 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 149.6 | -175.8 | -64.3 | -178.4 | 0 | 0 | 0 | 113.2 | A36 V499 I504 V536 M657 | A36-L662 CarbonylContact O-C 3.53Å; A36-L662 WeakPolarHBondContact O-CA 3.42Å; V499-L662 HydrophobicContact CG1-CD2 4.29Å; V499-L662 HydrophobicContact CG2-CD1 3.71Å; V499-L662 HydrophobicContact CG2-CD2 3.78Å; V499-L662 HydrophobicContact CG2-CG 3.85Å; I504-L662 HydrophobicContact CD1-CD2 4.03Å; I504-L662 HydrophobicContact CG1-CD2 3.89Å; V536-L662 HydrophobicContact CB-CD1 4.42Å; V536-L662 HydrophobicContact CG2-CD1 4.03Å; M657-L662 CarbonylContact C-O 3.6Å; M657-L662 PolarHBondContact O-N 3.27Å |
| 663 | I | 90.8 | Very high | 84.3 | Confident | 27 Ų | 27 | 27.4 Ų | 27.4 | 14% | 0.138 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 130.2 | 169.1 | -57.9 | 174 | 0 | 0 | 0 | 107.6 | L35 A36 N38 T121 L123 F665 | L35-I663 WeakPolarHBondContact CA-O 3.19Å; A36-I663 PolarHBondContact N-O 3.19Å; A36-I663 PolarHBondContact O-N 3.45Å; N38-I663 HydrophobicContact CB-CD1 4.19Å; N38-I663 HydrophobicContact CB-CG1 4.04Å; T121-I663 HydrophobicContact CG2-CG2 4.18Å; L123-I663 HydrophobicContact CD2-CD1 3.87Å; I663-F665 HydrophobicContact CG2-CD2 4.34Å; I663-F665 HydrophobicContact CG2-CE2 3.94Å; I663-F665 HydrophobicContact CG2-CZ 4.27Å |
| 664 | I | 89.2 | Confident | 82.6 | Confident | 16 Ų | 16 | 32 Ų | 32 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 134.1 | 177.9 | -170.1 | 167.9 | 0 | 0 | 0 | 111.6 | V33 L35 I546 M657 T666 F670 | V33-I664 HydrophobicContact CG1-CD1 4.39Å; V33-I664 HydrophobicContact CG1-CG1 4.38Å; L35-I664 HydrophobicContact CD2-CB 3.88Å; L35-I664 HydrophobicContact CD2-CD1 4.19Å; L35-I664 HydrophobicContact CD2-CG1 3.81Å; I546-I664 HydrophobicContact CD1-CD1 4.08Å; M657-I664 HydrophobicContact CE-CD1 4.22Å; M657-I664 HydrophobicContact CG-CB 4.36Å; M657-I664 HydrophobicContact CG-CD1 4.44Å; M657-I664 HydrophobicContact CG-CG2 4.43Å; I664-T666 HydrophobicContact CD1-CG2 4.37Å; I664-T666 HydrophobicContact CG1-CG2 4.23Å; I664-F670 HydrophobicContact CG2-CE2 4.48Å; I664-F670 HydrophobicContact CG2-CZ 4.44Å |
| 665 | F | 87.9 | Confident | 81.2 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 126 | 170.4 | -64.7 | -82 | 0 | 0 | 0 | 109.3 | V33 I34 L103 V105 N119 T121 I663 | V33-F665 CarbonylContact C-O 3.46Å; V33-F665 WeakPolarHBondContact CA-O 3.24Å; I34-F665 HydrophobicContact CB-CB 4.05Å; I34-F665 HydrophobicContact CG2-CD2 4.3Å; I34-F665 PolarHBondContact N-O 2.91Å; I34-F665 PolarHBondContact O-N 3.4Å; L103-F665 HydrophobicContact CD2-CE2 3.95Å; L103-F665 HydrophobicContact CD2-CZ 4.5Å; V105-F665 HydrophobicContact CG2-CD2 4.41Å; V105-F665 HydrophobicContact CG2-CE2 4.09Å; V105-F665 HydrophobicContact CG2-CZ 4.2Å; N119-F665 HydrophobicContact CB-CD1 3.78Å; N119-F665 HydrophobicContact CB-CE1 3.68Å; N119-F665 VanDerWaalsContact CG-CE1 3.46Å; N119-F665 WeakPolarHBondContact ND2-CD1 3.43Å; T121-F665 HydrophobicContact CG2-CD1 4.4Å; T121-F665 HydrophobicContact CG2-CE1 3.29Å; T121-F665 HydrophobicContact CG2-CE2 4.38Å; T121-F665 HydrophobicContact CG2-CZ 3.3Å; T121-F665 WeakPolarHBondContact OG1-CZ 3.28Å; I663-F665 HydrophobicContact CG2-CD2 4.34Å; I663-F665 HydrophobicContact CG2-CE2 3.94Å; I663-F665 HydrophobicContact CG2-CZ 4.27Å |
| 666 | T | 87.2 | Confident | 79.7 | Confident | 23 Ų | 23 | 36.2 Ų | 36.2 | 14% | 0.141 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 158 | -175.3 | -176.8 | 0 | 0 | 0 | 0 | 110 | Y32 V33 I546 I664 A668 F670 | Y32-T666 VanDerWaalsContact O-CA 3.27Å; Y32-T666 WeakPolarHBondContact O-CA 3.48Å; Y32-T666 VanDerWaalsContact O-CB 3.28Å; Y32-T666 WeakPolarHBondContact O-CB 3.44Å; Y32-T666 PolarHBondContact O-OG1 2.94Å; V33-T666 WeakPolarHBondContact CG2-OG1 3.38Å; I546-T666 HydrophobicContact CD1-CG2 3.61Å; I664-T666 HydrophobicContact CD1-CG2 4.37Å; I664-T666 HydrophobicContact CG1-CG2 4.23Å; T666-A668 WeakPolarHBondContact CG2-O 3.24Å; T666-A668 WeakPolarHBondContact OG1-CB 3.49Å; T666-A668 PolarHBondContact OG1-N 3.42Å; T666-F670 HydrophobicContact CG2-CD1 3.66Å; T666-F670 HydrophobicContact CG2-CE1 3.98Å |
| 667 | D | 82.7 | Confident | 78.1 | Confident | 67 Ų | 67 | 44.4 Ų | 44.4 | 36% | 0.358 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -88.6 | -14.1 | 167.6 | 66.4 | -42 | 0 | 0 | 0 | 112.7 | S31 Y32 | S31-D667 WeakPolarHBondContact CA-OD1 3.38Å; S31-D667 VanDerWaalsContact CA-OD2 3.3Å; S31-D667 WeakPolarHBondContact CA-OD2 3.45Å; S31-D667 PolarHBondContact OG-OD1 3.18Å; Y32-D667 HydrophobicContact CD1-CB 4.34Å; Y32-D667 HydrophobicContact CE1-CB 3.91Å; Y32-D667 PolarHBondContact N-OD1 3.27Å |
| 668 | A | 78.7 | Confident | 77 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 5% | 0.05 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -76.4 | 149 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | S544 I546 T666 F670 | S544-A668 CarbonylContact O-C 3.59Å; S544-A668 WeakPolarHBondContact O-CB 3.3Å; I546-A668 HydrophobicContact CD1-CB 3.74Å; I546-A668 HydrophobicContact CG1-CB 3.9Å; T666-A668 WeakPolarHBondContact CG2-O 3.24Å; T666-A668 WeakPolarHBondContact OG1-CB 3.49Å; T666-A668 PolarHBondContact OG1-N 3.42Å; A668-F670 PolarHBondContact O-N 2.75Å |
| 669 | N | 78.6 | Confident | 76.4 | Confident | 102 Ų | 102 | 42.9 Ų | 42.9 | 55% | 0.545 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 118.7 | 173.3 | -74.2 | -32.2 | 0 | 0 | 0 | 109.7 | S544 E545 I546 | S544-N669 CarbonylContact O-C 3.59Å; S544-N669 WeakPolarHBondContact O-CA 3.5Å; S544-N669 PolarHBondContact O-N 2.86Å; E545-N669 CarbonylContact C-O 3.56Å; E545-N669 WeakPolarHBondContact CA-O 3.2Å; I546-N669 PolarHBondContact N-O 2.92Å |
| 670 | F | 76.3 | Confident | 75.7 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 21% | 0.211 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 152.6 | 167 | 57.4 | -85.5 | 0 | 0 | 0 | 109.8 | I546 T653 N654 I664 T666 A668 K672 | I546-F670 HydrophobicContact CB-CB 4.08Å; I546-F670 HydrophobicContact CD1-CB 4.4Å; T653-F670 HydrophobicContact CG2-CB 3.71Å; N654-F670 HydrophobicContact CB-CD2 4.02Å; N654-F670 HydrophobicContact CB-CE2 3.88Å; I664-F670 HydrophobicContact CG2-CE2 4.48Å; I664-F670 HydrophobicContact CG2-CZ 4.44Å; T666-F670 HydrophobicContact CG2-CD1 3.66Å; T666-F670 HydrophobicContact CG2-CE1 3.98Å; A668-F670 PolarHBondContact O-N 2.75Å; F670-K672 HydrophobicContact CD2-CB 4.11Å; F670-K672 HydrophobicContact CE2-CB 3.91Å; F670-K672 HydrophobicContact CE2-CD 4.16Å; F670-K672 HydrophobicContact CE2-CG 4.32Å; F670-K672 PolarHBondContact O-N 3.21Å |
| 671 | T | 73.8 | Confident | 74.9 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | trans | -69 | 110.5 | 175.7 | 57.1 | 0 | 0 | 0 | 0 | 107.8 | Y461 E545 T653 N654 | Y461-T671 HydrophobicContact CD2-CG2 3.65Å; Y461-T671 HydrophobicContact CE2-CG2 4.04Å; Y461-T671 HydrophobicContact CG-CG2 4Å; E545-T671 HydrophobicContact CG-CG2 4.45Å; E545-T671 VanDerWaalsContact OE1-CG2 3.3Å; E545-T671 WeakPolarHBondContact OE1-CG2 3.23Å; T653-T671 WeakPolarHBondContact CB-OG1 3.36Å; T653-T671 PolarHBondContact N-O 2.99Å; T653-T671 PolarHBondContact N-OG1 3.04Å; T653-T671 PolarHBondContact OG1-OG1 3.17Å; N654-T671 PolarHBondContact N-O 3.41Å | ||
| 672 | K | 71.9 | Confident | 74.3 | Confident | 55 Ų | 55 | 53.1 Ų | 53.1 | 24% | 0.239 | 27% | 0.27 | C | S | . | . | trans | -127.4 | 114.4 | 170.9 | -170.3 | -173.9 | -163.1 | -165 | 0 | 103.2 | Y461 D652 N654 F670 N674 Y676 | Y461-K672 PolarHBondContact OH-O 3.39Å; D652-K672 WeakPolarHBondContact OD2-CA 3.46Å; N654-K672 HydrophobicContact CB-CB 4.36Å; N654-K672 HydrophobicContact CB-CG 4.18Å; F670-K672 HydrophobicContact CD2-CB 4.11Å; F670-K672 HydrophobicContact CE2-CB 3.91Å; F670-K672 HydrophobicContact CE2-CD 4.16Å; F670-K672 HydrophobicContact CE2-CG 4.32Å; F670-K672 PolarHBondContact O-N 3.21Å; K672-N674 VanDerWaalsContact C-N 3.32Å; K672-N674 PolarHBondContact O-N 2.79Å; K672-N674 PolarHBondContact O-OD1 3.03Å; K672-Y676 HydrophobicContact CD-CE2 3.75Å; K672-Y676 VanDerWaalsContact CE-CZ 3.46Å; K672-Y676 WeakPolarHBondContact CE-OH 3.39Å; K672-Y676 HydrophobicContact CG-CE2 4.18Å; K672-Y676 VanDerWaalsContact NZ-CE2 3.34Å; K672-Y676 PolarHBondContact NZ-OH 2.88Å | ||
| 673 | A | 62.9 | Low | 73.6 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 7% | 0.074 | 30% | 0.302 | C | S | . | . | trans | -57.2 | 101 | 180 | 0 | 0 | 0 | 0 | 0 | 108.7 | D652 F675 Y692 | D652-A673 PolarHBondContact OD2-N 3.03Å; A673-F675 HydrophobicContact CB-CD2 3.76Å; A673-F675 HydrophobicContact CB-CE2 3.88Å; A673-F675 PolarHBondContact O-N 3.36Å; A673-Y692 HydrophobicContact CB-CD1 3.79Å; A673-Y692 HydrophobicContact CB-CE1 3.37Å | ||
| 674 | N | 54.7 | Low | 72.9 | Confident | 103 Ų | 103 | 62.1 Ų | 62.1 | 55% | 0.551 | 31% | 0.313 | S | S | * | . | trans | -79.7 | 53.1 | -171.3 | -89.4 | -12.9 | 0 | 0 | 0 | 110.7 | K672 Y676 | K672-N674 VanDerWaalsContact C-N 3.32Å; K672-N674 PolarHBondContact O-N 2.79Å; K672-N674 PolarHBondContact O-OD1 3.03Å; N674-Y676 PolarHBondContact O-N 3.4Å | ||
| 675 | F | 58 | Low | 72.4 | Confident | 35 Ų | 35 | 66 Ų | 66 | 15% | 0.154 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -76.5 | 14.4 | 161.7 | -61.7 | -79.3 | 0 | 0 | 0 | 110.8 | A673 H677 T678 C679 P690 | A673-F675 HydrophobicContact CB-CD2 3.76Å; A673-F675 HydrophobicContact CB-CE2 3.88Å; A673-F675 PolarHBondContact O-N 3.36Å; F675-H677 PolarHBondContact O-N 3.08Å; F675-H677 VanDerWaalsContact O-N 3.08Å; F675-T678 WeakPolarHBondContact CA-OG1 3.3Å; F675-T678 WeakPolarHBondContact CB-OG1 3.43Å; F675-T678 CarbonylContact O-C 3.57Å; F675-T678 PolarHBondContact O-N 2.86Å; F675-T678 PolarHBondContact O-OG1 2.98Å; F675-T678 VanDerWaalsContact O-OG1 3.05Å; F675-C679 HydrophobicContact CB-CB 4.06Å; F675-C679 WeakPolarHBondContact CB-SG 3.35Å; F675-C679 WeakPolarHBondContact O-CA 3.42Å; F675-C679 PolarHBondContact O-N 2.76Å; F675-P690 HydrophobicContact CB-CB 4.11Å; F675-P690 HydrophobicContact CD2-CB 3.25Å; F675-P690 HydrophobicContact CD2-CG 4.25Å; F675-P690 HydrophobicContact CE2-CB 3.82Å; F675-P690 HydrophobicContact CG-CB 3.88Å |
| 676 | Y | 53.1 | Low | 71.9 | Confident | 128 Ų | 128 | 67.7 Ų | 67.7 | 50% | 0.502 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -58 | -25.3 | 179.1 | -85.8 | -91.3 | 0 | 0 | 0 | 113.6 | K672 N674 T678 | K672-Y676 HydrophobicContact CD-CE2 3.75Å; K672-Y676 VanDerWaalsContact CE-CZ 3.46Å; K672-Y676 WeakPolarHBondContact CE-OH 3.39Å; K672-Y676 HydrophobicContact CG-CE2 4.18Å; K672-Y676 VanDerWaalsContact NZ-CE2 3.34Å; K672-Y676 PolarHBondContact NZ-OH 2.88Å; N674-Y676 PolarHBondContact O-N 3.4Å; Y676-T678 VanDerWaalsContact C-N 3.34Å |
| 677 | H | 57.9 | Low | 71.6 | Confident | 177 Ų | 177 | 70.9 Ų | 70.9 | 82% | 0.819 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -81.4 | -11.8 | 173.7 | -62.1 | -58.1 | 0 | 0 | 0 | 113.9 | F675 | F675-H677 PolarHBondContact O-N 3.08Å; F675-H677 VanDerWaalsContact O-N 3.08Å |
| 678 | T | 67.2 | Low | 71.4 | Confident | 43 Ų | 43 | 68.3 Ų | 68.3 | 26% | 0.264 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -48.3 | -174.9 | 43.9 | 0 | 0 | 0 | 0 | 112 | F675 Y676 R687 C699 | F675-T678 WeakPolarHBondContact CA-OG1 3.3Å; F675-T678 WeakPolarHBondContact CB-OG1 3.43Å; F675-T678 CarbonylContact O-C 3.57Å; F675-T678 PolarHBondContact O-N 2.86Å; F675-T678 PolarHBondContact O-OG1 2.98Å; F675-T678 VanDerWaalsContact O-OG1 3.05Å; Y676-T678 VanDerWaalsContact C-N 3.34Å; T678-R687 VanDerWaalsContact CB-NH2 3.29Å; T678-R687 WeakPolarHBondContact O-CD 3.47Å; T678-R687 PolarHBondContact O-NE 2.84Å; T678-R687 PolarHBondContact O-NH1 3.37Å; T678-R687 VanDerWaalsContact O-NH1 3.14Å; T678-R687 PolarHBondContact O-NH2 3.29Å; T678-C699 VanDerWaalsContact C-SG 3.57Å |
| 679 | C | 74.6 | Confident | 71.6 | Confident | 12 Ų | 12 | 70.3 Ų | 70.3 | 8% | 0.081 | 36% | 0.361 | C | S | . | . | trans | -98.6 | 84.8 | 174.3 | -42.7 | 0 | 0 | 0 | 0 | 110.2 | F675 R687 C699 | F675-C679 HydrophobicContact CB-CB 4.06Å; F675-C679 WeakPolarHBondContact CB-SG 3.35Å; F675-C679 WeakPolarHBondContact O-CA 3.42Å; F675-C679 PolarHBondContact O-N 2.76Å; C679-R687 CarbonylContact C-O 3.58Å; C679-R687 WeakPolarHBondContact CA-O 3.41Å; C679-C699 WeakPolarHBondContact CA-SG 2.91Å; C679-C699 HydrophobicContact CB-CB 3.78Å; C679-C699 WeakPolarHBondContact CB-SG 3.46Å; C679-C699 PolarHBondContact N-SG 3.49Å; C679-C699 WeakPolarHBondContact SG-CB 2.89Å; C679-C699 CovalentContact SG-SG 2.01Å; C679-C699 PolarHBondContact SG-SG 3.31Å | ||
| 680 | N | 73.5 | Confident | 71.8 | Confident | 39 Ų | 39 | 66.5 Ų | 66.5 | 21% | 0.209 | 34% | 0.342 | C | S | . | . | trans | -118.9 | 109.3 | 172.8 | -175.3 | -0.8 | 0 | 0 | 0 | 109.6 | T682 E683 N684 R687 | N680-T682 VanDerWaalsContact CG-OG1 3.29Å; N680-T682 PolarHBondContact ND2-OG1 3.01Å; N680-T682 PolarHBondContact O-N 2.93Å; N680-T682 PolarHBondContact OD1-N 2.82Å; N680-T682 PolarHBondContact OD1-OG1 3Å; N680-E683 HydrophobicContact CB-CB 4.14Å; N680-E683 HydrophobicContact CB-CG 4.32Å; N680-E683 WeakPolarHBondContact ND2-CG 3.23Å; N680-E683 PolarHBondContact ND2-OE1 2.87Å; N680-E683 VanDerWaalsContact ND2-OE1 3.14Å; N680-E683 PolarHBondContact O-N 2.96Å; N680-E683 VanDerWaalsContact O-N 3.09Å; N680-N684 PolarHBondContact O-N 3.02Å; N680-R687 CarbonylContact C-O 3.55Å; N680-R687 PolarHBondContact N-O 3.25Å; N680-R687 VanDerWaalsContact N-O 3.08Å | ||
| 681 | E | 72.3 | Confident | 72.2 | Confident | 86 Ų | 86 | 64.2 Ų | 64.2 | 40% | 0.402 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -32.1 | 177.9 | -175.3 | 174.1 | -170.9 | 0 | 0 | 112.2 | A688 R702 | E681-A688 HydrophobicContact CB-CB 4.2Å; E681-A688 HydrophobicContact CG-CB 4.2Å; E681-R702 IonicContact OE1-CZ 3.23Å; E681-R702 IonicContact OE1-NE 2.72Å; E681-R702 PolarHBondContact OE1-NE 2.8Å; E681-R702 IonicContact OE1-NH1 2.78Å; E681-R702 IonicContact OE1-NH2 3.07Å; E681-R702 PolarHBondContact OE1-NH2 2.8Å; E681-R702 IonicContact OE2-CZ 3.17Å; E681-R702 IonicContact OE2-NE 2.82Å; E681-R702 PolarHBondContact OE2-NE 2.94Å; E681-R702 IonicContact OE2-NH2 2.98Å; E681-R702 PolarHBondContact OE2-NH2 3.49Å |
| 682 | T | 77.9 | Confident | 72.4 | Confident | 128 Ų | 128 | 66.3 Ų | 66.3 | 79% | 0.785 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -24.7 | 179.1 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | N680 | N680-T682 VanDerWaalsContact CG-OG1 3.29Å; N680-T682 PolarHBondContact ND2-OG1 3.01Å; N680-T682 PolarHBondContact O-N 2.93Å; N680-T682 PolarHBondContact OD1-N 2.82Å; N680-T682 PolarHBondContact OD1-OG1 3Å |
| 683 | E | 75.6 | Confident | 72.6 | Confident | 150 Ų | 150 | 64.1 Ų | 64.1 | 70% | 0.701 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -40.6 | 176.2 | -77 | 172.6 | -155.4 | 0 | 0 | 112.2 | N680 | N680-E683 HydrophobicContact CB-CB 4.14Å; N680-E683 HydrophobicContact CB-CG 4.32Å; N680-E683 WeakPolarHBondContact ND2-CG 3.23Å; N680-E683 PolarHBondContact ND2-OE1 2.87Å; N680-E683 VanDerWaalsContact ND2-OE1 3.14Å; N680-E683 PolarHBondContact O-N 2.96Å; N680-E683 VanDerWaalsContact O-N 3.09Å |
| 684 | N | 76.1 | Confident | 72.8 | Confident | 69 Ų | 69 | 71.6 Ų | 71.6 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | trans | -148.3 | 113.3 | 178.3 | -171.6 | -14 | 0 | 0 | 0 | 110.8 | N680 A686 R687 | N680-N684 PolarHBondContact O-N 3.02Å; N684-A686 PolarHBondContact O-N 3.44Å; N684-A686 VanDerWaalsContact O-N 3.1Å; N684-A686 VanDerWaalsContact OD1-CB 3.25Å; N684-A686 WeakPolarHBondContact OD1-CB 3.49Å; N684-A686 PolarHBondContact OD1-N 3.33Å; N684-R687 HydrophobicContact CB-CB 4.42Å; N684-R687 HydrophobicContact CB-CG 4.38Å; N684-R687 CarbonylContact O-C 3.59Å; N684-R687 PolarHBondContact O-N 3.03Å | ||
| 685 | P | 80.1 | Confident | 73.5 | Confident | 98 Ų | 98 | 71 Ų | 71 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -62.1 | -20.4 | 178.8 | 23.8 | -32.3 | 0 | 0 | 0 | 113.3 | R687 | P685-R687 PolarHBondContact O-N 2.98Š|
| 686 | A | 76.8 | Confident | 74.2 | Confident | 40 Ų | 40 | 72.5 Ų | 72.5 | 33% | 0.331 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -72.5 | -11.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N684 R697 Y700 S701 | N684-A686 PolarHBondContact O-N 3.44Å; N684-A686 VanDerWaalsContact O-N 3.1Å; N684-A686 VanDerWaalsContact OD1-CB 3.25Å; N684-A686 WeakPolarHBondContact OD1-CB 3.49Å; N684-A686 PolarHBondContact OD1-N 3.33Å; A686-R697 PolarHBondContact O-NH2 3.44Å; A686-Y700 CarbonylContact O-C 3.57Å; A686-S701 PolarHBondContact O-N 3.38Å |
| 687 | R | 80.4 | Confident | 75.5 | Confident | 90 Ų | 90 | 70.7 Ų | 70.7 | 34% | 0.34 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -123.4 | 57.4 | -179.1 | -57.4 | -176.6 | 80.5 | -173.1 | 5.7 | 110.1 | T678 C679 N680 N684 P685 C699 | T678-R687 VanDerWaalsContact CB-NH2 3.29Å; T678-R687 WeakPolarHBondContact O-CD 3.47Å; T678-R687 PolarHBondContact O-NE 2.84Å; T678-R687 PolarHBondContact O-NH1 3.37Å; T678-R687 VanDerWaalsContact O-NH1 3.14Å; T678-R687 PolarHBondContact O-NH2 3.29Å; C679-R687 CarbonylContact C-O 3.58Å; C679-R687 WeakPolarHBondContact CA-O 3.41Å; N680-R687 CarbonylContact C-O 3.55Å; N680-R687 PolarHBondContact N-O 3.25Å; N680-R687 VanDerWaalsContact N-O 3.08Å; N684-R687 HydrophobicContact CB-CB 4.42Å; N684-R687 HydrophobicContact CB-CG 4.38Å; N684-R687 CarbonylContact O-C 3.59Å; N684-R687 PolarHBondContact O-N 3.03Å; P685-R687 PolarHBondContact O-N 2.98Å; R687-C699 HydrophobicContact CB-CB 3.74Å; R687-C699 HydrophobicContact CG-CB 4.13Å |
| 688 | A | 79.8 | Confident | 76.5 | Confident | 13 Ų | 13 | 65 Ų | 65 | 11% | 0.107 | 36% | 0.364 | C | S | . | . | trans | -87.6 | -38.9 | -174 | 0 | 0 | 0 | 0 | 0 | 113.5 | E681 Y700 R702 | E681-A688 HydrophobicContact CB-CB 4.2Å; E681-A688 HydrophobicContact CG-CB 4.2Å; A688-Y700 PolarHBondContact N-O 2.66Å; A688-R702 HydrophobicContact CB-CG 3.96Å | ||
| 689 | L | 81.8 | Confident | 77.4 | Confident | 48 Ų | 48 | 63.1 Ų | 63.1 | 25% | 0.251 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 144.1 | -170.9 | -64.5 | 169.4 | 0 | 0 | 0 | 111.1 | C699 Y700 R702 | L689-C699 CarbonylContact O-C 3.49Å; L689-C699 WeakPolarHBondContact O-CA 3.38Å; L689-Y700 HydrophobicContact CB-CD1 3.97Å; L689-Y700 HydrophobicContact CB-CD2 4.22Å; L689-Y700 HydrophobicContact CB-CE1 3.5Å; L689-Y700 VanDerWaalsContact CB-CE1 3.5Å; L689-Y700 HydrophobicContact CB-CE2 3.75Å; L689-Y700 HydrophobicContact CB-CG 4.32Å; L689-Y700 HydrophobicContact CD1-CD2 4.39Å; L689-Y700 HydrophobicContact CD1-CE2 3.53Å; L689-Y700 HydrophobicContact CG-CE2 4.27Å; L689-Y700 PolarHBondContact N-O 2.98Å; L689-Y700 VanDerWaalsContact O-CD1 3.3Å; L689-Y700 WeakPolarHBondContact O-CD1 3.35Å; L689-Y700 PolarHBondContact O-N 3.27Å; L689-R702 HydrophobicContact CD1-CG 4.34Å |
| 690 | P | 83.8 | Confident | 78 | Confident | 22 Ų | 22 | 63.3 Ų | 63.3 | 14% | 0.143 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 141.9 | -176.6 | 30.5 | -33.3 | 0 | 0 | 0 | 113.5 | F675 Y692 Y700 | F675-P690 HydrophobicContact CB-CB 4.11Å; F675-P690 HydrophobicContact CD2-CB 3.25Å; F675-P690 HydrophobicContact CD2-CG 4.25Å; F675-P690 HydrophobicContact CE2-CB 3.82Å; F675-P690 HydrophobicContact CG-CB 3.88Å; P690-Y692 HydrophobicContact CB-CD2 4.42Å; P690-Y692 HydrophobicContact CB-CE2 4.29Å; P690-Y692 HydrophobicContact CG-CD2 4.27Å; P690-Y692 HydrophobicContact CG-CE2 3.66Å; P690-Y692 WeakPolarHBondContact O-CD2 3.27Å; P690-Y692 WeakPolarHBondContact O-CE2 3.42Å; P690-Y700 WeakPolarHBondContact O-CE1 3.46Å |
| 691 | C | 83.7 | Confident | 78.6 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | trans | -83.5 | -4.4 | 175 | -73.3 | 0 | 0 | 0 | 0 | 114.1 | S693 R697 D698 C712 T714 | C691-S693 PolarHBondContact O-N 3.19Å; C691-S693 VanDerWaalsContact O-N 3.12Å; C691-R697 WeakPolarHBondContact CB-O 3.39Å; C691-R697 PolarHBondContact SG-O 3.33Å; C691-D698 PolarHBondContact N-O 2.88Å; C691-C712 VanDerWaalsContact CA-SG 3.57Å; C691-C712 HydrophobicContact CB-CB 3.64Å; C691-C712 WeakPolarHBondContact CB-SG 3.42Å; C691-C712 VanDerWaalsContact SG-CA 3.59Å; C691-C712 WeakPolarHBondContact SG-CB 3.47Å; C691-C712 CovalentContact SG-SG 2.05Å; C691-C712 PolarHBondContact SG-SG 2.81Å; C691-T714 WeakPolarHBondContact O-CG2 3.21Å; C691-T714 PolarHBondContact O-OG1 3.05Å | ||
| 692 | Y | 78.8 | Confident | 79.2 | Confident | 48 Ų | 48 | 65.2 Ų | 65.2 | 19% | 0.188 | 35% | 0.353 | C | S | . | . | trans | 52.3 | 33 | -179.6 | -59.7 | -96.3 | 0 | 0 | 0 | 115 | A651 D652 A673 P690 I716 | A651-Y692 HydrophobicContact CB-CD1 3.93Å; A651-Y692 HydrophobicContact CB-CD2 4.26Å; A651-Y692 HydrophobicContact CB-CE1 3.61Å; A651-Y692 HydrophobicContact CB-CE2 3.96Å; A651-Y692 HydrophobicContact CB-CG 4.23Å; D652-Y692 HydrophobicContact CB-CE1 4.47Å; A673-Y692 HydrophobicContact CB-CD1 3.79Å; A673-Y692 HydrophobicContact CB-CE1 3.37Å; P690-Y692 HydrophobicContact CB-CD2 4.42Å; P690-Y692 HydrophobicContact CB-CE2 4.29Å; P690-Y692 HydrophobicContact CG-CD2 4.27Å; P690-Y692 HydrophobicContact CG-CE2 3.66Å; P690-Y692 WeakPolarHBondContact O-CD2 3.27Å; P690-Y692 WeakPolarHBondContact O-CE2 3.42Å; Y692-I716 HydrophobicContact CD2-CD1 3.16Å; Y692-I716 HydrophobicContact CD2-CG1 4.5Å; Y692-I716 HydrophobicContact CD2-CG2 4.4Å; Y692-I716 HydrophobicContact CE2-CD1 3.32Å; Y692-I716 HydrophobicContact CG-CD1 4.15Å | ||
| 693 | S | 75 | Confident | 79.6 | Confident | 8 Ų | 8 | 64.1 Ų | 64.1 | 6% | 0.056 | 35% | 0.35 | C | S | . | . | trans | -133.2 | 143.8 | 175.1 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | C691 T695 | C691-S693 PolarHBondContact O-N 3.19Å; C691-S693 VanDerWaalsContact O-N 3.12Å; S693-T695 WeakPolarHBondContact CB-O 3.28Å; S693-T695 PolarHBondContact OG-N 2.95Å; S693-T695 PolarHBondContact OG-O 3.21Å; S693-T695 PolarHBondContact OG-OG1 3.23Å | ||
| 694 | L | 66.9 | Low | 80.2 | Confident | 166 Ų | 166 | 58.9 Ų | 58.9 | 87% | 0.869 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -86.7 | -0.7 | 165.8 | -65.2 | 171.5 | 0 | 0 | 0 | 111.8 | ||
| 695 | T | 69.4 | Low | 80.6 | Confident | 90 Ų | 90 | 61.4 Ų | 61.4 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -124.1 | 125.6 | -177.4 | 60.1 | 0 | 0 | 0 | 0 | 109.7 | S693 A713 | S693-T695 WeakPolarHBondContact CB-O 3.28Å; S693-T695 PolarHBondContact OG-N 2.95Å; S693-T695 PolarHBondContact OG-O 3.21Å; S693-T695 PolarHBondContact OG-OG1 3.23Å; T695-A713 VanDerWaalsContact O-CB 3.28Å; T695-A713 WeakPolarHBondContact O-CB 3.44Å |
| 696 | G | 74.5 | Confident | 80.8 | Confident | 68 Ų | 68 | 58.8 Ų | 58.8 | 70% | 0.701 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 93.7 | -147.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 697 | R | 78.9 | Confident | 81.2 | Confident | 89 Ų | 89 | 60.2 Ų | 60.2 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | trans | -78.9 | 133.1 | -179.7 | -171.4 | 175.7 | 176.8 | 175.6 | -7.1 | 110.1 | A686 C691 C699 E704 | A686-R697 PolarHBondContact O-NH2 3.44Å; C691-R697 WeakPolarHBondContact CB-O 3.39Å; C691-R697 PolarHBondContact SG-O 3.33Å; R697-C699 WeakPolarHBondContact CD-O 3.32Å; R697-C699 VanDerWaalsContact CG-O 3.28Å; R697-C699 WeakPolarHBondContact CG-O 3.49Å; R697-C699 PolarHBondContact NE-O 2.85Å; R697-E704 IonicContact CZ-OE1 3.29Å; R697-E704 VanDerWaalsContact CZ-OE1 3.29Å; R697-E704 IonicContact CZ-OE2 3.41Å; R697-E704 IonicContact NH1-OE1 2.71Å; R697-E704 PolarHBondContact NH1-OE1 3.31Å; R697-E704 IonicContact NH1-OE2 3.48Å; R697-E704 PolarHBondContact NH1-OE2 3.15Å; R697-E704 VanDerWaalsContact NH2-CD 3.33Å; R697-E704 IonicContact NH2-OE1 2.63Å; R697-E704 PolarHBondContact NH2-OE1 3.16Å; R697-E704 IonicContact NH2-OE2 3.95Å; R697-E704 PolarHBondContact NH2-OE2 3.23Å | ||
| 698 | D | 79.2 | Confident | 81.1 | Confident | 59 Ų | 59 | 58.6 Ų | 58.6 | 32% | 0.316 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -78.2 | -33.7 | -179.1 | -60.4 | -25.3 | 0 | 0 | 0 | 113.2 | C691 | C691-D698 PolarHBondContact N-O 2.88Š|
| 699 | C | 86 | Confident | 81.3 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.02 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 144 | -171.3 | -43.5 | 0 | 0 | 0 | 0 | 111.7 | T678 C679 R687 L689 R697 | T678-C699 VanDerWaalsContact C-SG 3.57Å; C679-C699 WeakPolarHBondContact CA-SG 2.91Å; C679-C699 HydrophobicContact CB-CB 3.78Å; C679-C699 WeakPolarHBondContact CB-SG 3.46Å; C679-C699 PolarHBondContact N-SG 3.49Å; C679-C699 WeakPolarHBondContact SG-CB 2.89Å; C679-C699 CovalentContact SG-SG 2.01Å; C679-C699 PolarHBondContact SG-SG 3.31Å; R687-C699 HydrophobicContact CB-CB 3.74Å; R687-C699 HydrophobicContact CG-CB 4.13Å; L689-C699 CarbonylContact O-C 3.49Å; L689-C699 WeakPolarHBondContact O-CA 3.38Å; R697-C699 WeakPolarHBondContact CD-O 3.32Å; R697-C699 VanDerWaalsContact CG-O 3.28Å; R697-C699 WeakPolarHBondContact CG-O 3.49Å; R697-C699 PolarHBondContact NE-O 2.85Å |
| 700 | Y | 87 | Confident | 81.2 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 6% | 0.063 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 161.3 | 171 | 66.5 | -79.7 | 0 | 0 | 0 | 111 | A686 A688 L689 P690 R705 C712 I716 D717 | A686-Y700 CarbonylContact O-C 3.57Å; A688-Y700 PolarHBondContact N-O 2.66Å; L689-Y700 HydrophobicContact CB-CD1 3.97Å; L689-Y700 HydrophobicContact CB-CD2 4.22Å; L689-Y700 HydrophobicContact CB-CE1 3.5Å; L689-Y700 VanDerWaalsContact CB-CE1 3.5Å; L689-Y700 HydrophobicContact CB-CE2 3.75Å; L689-Y700 HydrophobicContact CB-CG 4.32Å; L689-Y700 HydrophobicContact CD1-CD2 4.39Å; L689-Y700 HydrophobicContact CD1-CE2 3.53Å; L689-Y700 HydrophobicContact CG-CE2 4.27Å; L689-Y700 PolarHBondContact N-O 2.98Å; L689-Y700 VanDerWaalsContact O-CD1 3.3Å; L689-Y700 WeakPolarHBondContact O-CD1 3.35Å; L689-Y700 PolarHBondContact O-N 3.27Å; P690-Y700 WeakPolarHBondContact O-CE1 3.46Å; Y700-R705 HydrophobicContact CE2-CB 4.3Å; Y700-C712 WeakPolarHBondContact CD1-SG 3.39Å; Y700-I716 HydrophobicContact CE1-CG2 3.89Å; Y700-D717 HydrophobicContact CD2-CB 4.11Å; Y700-D717 HydrophobicContact CE2-CB 4.31Å; Y700-D717 HydrophobicContact CG-CB 4.29Å |
| 701 | S | 87 | Confident | 81.3 | Confident | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | trans | -85.2 | 157.3 | 178.7 | 71.1 | 0 | 0 | 0 | 0 | 111.2 | A686 S703 E704 | A686-S701 PolarHBondContact O-N 3.38Å; S701-S703 PolarHBondContact O-N 2.97Å; S701-S703 PolarHBondContact OG-OG 3.27Å; S701-E704 WeakPolarHBondContact CB-OE2 3.32Å; S701-E704 PolarHBondContact N-OE2 2.84Å; S701-E704 PolarHBondContact O-N 2.93Å; S701-E704 VanDerWaalsContact O-N 3.14Å; S701-E704 WeakPolarHBondContact OG-CB 3.22Å; S701-E704 WeakPolarHBondContact OG-CG 3.43Å; S701-E704 PolarHBondContact OG-N 3.29Å; S701-E704 VanDerWaalsContact OG-N 3.15Å; S701-E704 PolarHBondContact OG-OE2 3.43Å | ||
| 702 | R | 85.6 | Confident | 81.3 | Confident | 159 Ų | 159 | 65.1 Ų | 65.1 | 60% | 0.6 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -25.1 | 173.5 | -70.1 | -172.3 | -175.8 | -160.3 | 7.3 | 113 | E681 A688 L689 | E681-R702 IonicContact OE1-CZ 3.23Å; E681-R702 IonicContact OE1-NE 2.72Å; E681-R702 PolarHBondContact OE1-NE 2.8Å; E681-R702 IonicContact OE1-NH1 2.78Å; E681-R702 IonicContact OE1-NH2 3.07Å; E681-R702 PolarHBondContact OE1-NH2 2.8Å; E681-R702 IonicContact OE2-CZ 3.17Å; E681-R702 IonicContact OE2-NE 2.82Å; E681-R702 PolarHBondContact OE2-NE 2.94Å; E681-R702 IonicContact OE2-NH2 2.98Å; E681-R702 PolarHBondContact OE2-NH2 3.49Å; A688-R702 HydrophobicContact CB-CG 3.96Å; L689-R702 HydrophobicContact CD1-CG 4.34Å |
| 703 | S | 85.2 | Confident | 81.5 | Confident | 105 Ų | 105 | 64.7 Ų | 64.7 | 73% | 0.734 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -21.6 | 176.9 | 42.6 | 0 | 0 | 0 | 0 | 114.2 | S701 R705 | S701-S703 PolarHBondContact O-N 2.97Å; S701-S703 PolarHBondContact OG-OG 3.27Å; S703-R705 VanDerWaalsContact C-N 3.31Å |
| 704 | E | 87.7 | Confident | 81.8 | Confident | 39 Ų | 39 | 64.5 Ų | 64.5 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -86.9 | -3.2 | 177 | -74.9 | 161.9 | 153.4 | 0 | 0 | 112 | R697 S701 C706 Q711 | R697-E704 IonicContact CZ-OE1 3.29Å; R697-E704 VanDerWaalsContact CZ-OE1 3.29Å; R697-E704 IonicContact CZ-OE2 3.41Å; R697-E704 IonicContact NH1-OE1 2.71Å; R697-E704 PolarHBondContact NH1-OE1 3.31Å; R697-E704 IonicContact NH1-OE2 3.48Å; R697-E704 PolarHBondContact NH1-OE2 3.15Å; R697-E704 VanDerWaalsContact NH2-CD 3.33Å; R697-E704 IonicContact NH2-OE1 2.63Å; R697-E704 PolarHBondContact NH2-OE1 3.16Å; R697-E704 IonicContact NH2-OE2 3.95Å; R697-E704 PolarHBondContact NH2-OE2 3.23Å; S701-E704 WeakPolarHBondContact CB-OE2 3.32Å; S701-E704 PolarHBondContact N-OE2 2.84Å; S701-E704 PolarHBondContact O-N 2.93Å; S701-E704 VanDerWaalsContact O-N 3.14Å; S701-E704 WeakPolarHBondContact OG-CB 3.22Å; S701-E704 WeakPolarHBondContact OG-CG 3.43Å; S701-E704 PolarHBondContact OG-N 3.29Å; S701-E704 VanDerWaalsContact OG-N 3.15Å; S701-E704 PolarHBondContact OG-OE2 3.43Å; E704-C706 PolarHBondContact O-N 3.49Å; E704-Q711 HydrophobicContact CB-CG 4.41Å; E704-Q711 HydrophobicContact CG-CG 4.31Å; E704-Q711 PolarHBondContact O-OE1 3.12Å |
| 705 | R | 84.1 | Confident | 82.7 | Confident | 122 Ų | 122 | 58.4 Ų | 58.4 | 46% | 0.46 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 124.5 | 175.7 | -173.9 | 177.4 | -179 | -177.5 | 1.2 | 109.5 | Y700 S703 | Y700-R705 HydrophobicContact CE2-CB 4.3Å; S703-R705 VanDerWaalsContact C-N 3.31Å |
| 706 | C | 85.7 | Confident | 83.5 | Confident | 43 Ų | 43 | 54.3 Ų | 54.3 | 29% | 0.291 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 39.4 | 175.9 | -55.2 | 0 | 0 | 0 | 0 | 115.3 | E704 D717 E718 C721 | E704-C706 PolarHBondContact O-N 3.49Å; C706-D717 PolarHBondContact N-O 3.5Å; C706-E718 WeakPolarHBondContact CA-OE1 3.26Å; C706-C721 WeakPolarHBondContact CA-SG 3.38Å; C706-C721 HydrophobicContact CB-CB 3.59Å; C706-C721 WeakPolarHBondContact CB-SG 3.07Å; C706-C721 WeakPolarHBondContact SG-CA 3.33Å; C706-C721 WeakPolarHBondContact SG-CB 2.89Å; C706-C721 CovalentContact SG-SG 2.03Å; C706-C721 PolarHBondContact SG-SG 3.19Å |
| 707 | D | 84.8 | Confident | 84 | Confident | 70 Ų | 70 | 51.1 Ų | 51.1 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -93 | -1.8 | 175.3 | 71.9 | 0.6 | 0 | 0 | 0 | 113.1 | I709 Q711 E718 | D707-I709 VanDerWaalsContact C-N 3.27Å; D707-I709 WeakPolarHBondContact OD1-CB 3.39Å; D707-I709 PolarHBondContact OD1-N 2.85Å; D707-Q711 PolarHBondContact OD1-NE2 2.82Å; D707-Q711 PolarHBondContact OD2-NE2 3.39Å; D707-E718 PolarHBondContact N-OE1 3.29Å |
| 708 | G | 78.6 | Confident | 84.4 | Confident | 56 Ų | 56 | 47.6 Ų | 47.6 | 58% | 0.577 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 81.2 | 5.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E718 | G708-E718 WeakPolarHBondContact CA-OE1 3.45Å; G708-E718 WeakPolarHBondContact CA-OE2 3.42Å; G708-E718 VanDerWaalsContact N-CD 3.34Å; G708-E718 PolarHBondContact N-OE1 2.78Å; G708-E718 PolarHBondContact N-OE2 3.15Å |
| 709 | I | 83.7 | Confident | 84.7 | Confident | 104 Ų | 104 | 46 Ų | 46 | 53% | 0.533 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -113.5 | 134.6 | -179.1 | -56.7 | 171.9 | 0 | 0 | 0 | 107.8 | D707 Q711 | D707-I709 VanDerWaalsContact C-N 3.27Å; D707-I709 WeakPolarHBondContact OD1-CB 3.39Å; D707-I709 PolarHBondContact OD1-N 2.85Å; I709-Q711 VanDerWaalsContact O-CD 3.25Å; I709-Q711 PolarHBondContact O-N 3.45Å; I709-Q711 PolarHBondContact O-NE2 3.06Å; I709-Q711 VanDerWaalsContact O-NE2 3.12Å; I709-Q711 PolarHBondContact O-OE1 2.82Å; I709-Q711 VanDerWaalsContact O-OE1 3.14Å |
| 710 | N | 80.3 | Confident | 84.2 | Confident | 82 Ų | 82 | 49.5 Ų | 49.5 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | trans | -86.1 | 90.3 | 178.6 | 63.8 | -30.3 | 0 | 0 | 0 | 111.2 | W715 | N710-W715 HydrophobicContact CB-CD2 3.69Å; N710-W715 HydrophobicContact CB-CE3 3.94Å; N710-W715 HydrophobicContact CB-CG 4.25Å; N710-W715 HydrophobicContact CB-CH2 3.95Å; N710-W715 HydrophobicContact CB-CZ2 3.73Å; N710-W715 HydrophobicContact CB-CZ3 4.06Å; N710-W715 VanDerWaalsContact ND2-CZ2 3.26Å; N710-W715 WeakPolarHBondContact ND2-CZ2 3.24Å | ||
| 711 | Q | 85.7 | Confident | 83.9 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 15% | 0.15 | 27% | 0.274 | C | S | . | . | trans | -73.7 | -33.3 | 167.7 | -54.4 | 84.9 | 24.5 | 0 | 0 | 112 | E704 D707 I709 D717 | E704-Q711 HydrophobicContact CB-CG 4.41Å; E704-Q711 HydrophobicContact CG-CG 4.31Å; E704-Q711 PolarHBondContact O-OE1 3.12Å; D707-Q711 PolarHBondContact OD1-NE2 2.82Å; D707-Q711 PolarHBondContact OD2-NE2 3.39Å; I709-Q711 VanDerWaalsContact O-CD 3.25Å; I709-Q711 PolarHBondContact O-N 3.45Å; I709-Q711 PolarHBondContact O-NE2 3.06Å; I709-Q711 VanDerWaalsContact O-NE2 3.12Å; I709-Q711 PolarHBondContact O-OE1 2.82Å; I709-Q711 VanDerWaalsContact O-OE1 3.14Å; Q711-D717 VanDerWaalsContact CA-OD2 3.28Å; Q711-D717 WeakPolarHBondContact CA-OD2 3.38Å; Q711-D717 WeakPolarHBondContact CB-OD2 3.07Å; Q711-D717 PolarHBondContact N-OD2 3Å; Q711-D717 PolarHBondContact OE1-OD2 3.44Å | ||
| 712 | C | 84.1 | Confident | 83.1 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.014 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -92.8 | 137.3 | 178.2 | -65.2 | 0 | 0 | 0 | 0 | 111.6 | C691 Y700 T714 W715 I716 D717 | C691-C712 VanDerWaalsContact CA-SG 3.57Å; C691-C712 HydrophobicContact CB-CB 3.64Å; C691-C712 WeakPolarHBondContact CB-SG 3.42Å; C691-C712 VanDerWaalsContact SG-CA 3.59Å; C691-C712 WeakPolarHBondContact SG-CB 3.47Å; C691-C712 CovalentContact SG-SG 2.05Å; C691-C712 PolarHBondContact SG-SG 2.81Å; Y700-C712 WeakPolarHBondContact CD1-SG 3.39Å; C712-T714 PolarHBondContact O-N 3.11Å; C712-W715 PolarHBondContact O-N 3.23Å; C712-I716 HydrophobicContact CB-CG2 4.1Å; C712-D717 PolarHBondContact N-OD2 3.34Å |
| 713 | A | 82.5 | Confident | 82.2 | Confident | 40 Ų | 40 | 52.2 Ų | 52.2 | 33% | 0.331 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -28.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T695 W715 | T695-A713 VanDerWaalsContact O-CB 3.28Å; T695-A713 WeakPolarHBondContact O-CB 3.44Å; A713-W715 VanDerWaalsContact C-N 3.33Å |
| 714 | T | 80.4 | Confident | 81 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -6 | 176.1 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | F456 C691 C712 I716 | F456-T714 HydrophobicContact CB-CG2 4.4Å; C691-T714 WeakPolarHBondContact O-CG2 3.21Å; C691-T714 PolarHBondContact O-OG1 3.05Å; C712-T714 PolarHBondContact O-N 3.11Å; T714-I716 PolarHBondContact O-N 2.88Å |
| 715 | W | 85.9 | Confident | 79.4 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | trans | 61.1 | 21 | -172.9 | -65.9 | 63.8 | 0 | 0 | 0 | 114.6 | V364 R454 N710 C712 A713 D717 E718 | V364-W715 HydrophobicContact CG1-CB 4.3Å; V364-W715 HydrophobicContact CG2-CB 3.64Å; V364-W715 WeakPolarHBondContact CG2-O 3.18Å; R454-W715 VanDerWaalsContact CZ-CH2 3.48Å; R454-W715 VanDerWaalsContact NH2-CZ2 3.31Å; N710-W715 HydrophobicContact CB-CD2 3.69Å; N710-W715 HydrophobicContact CB-CE3 3.94Å; N710-W715 HydrophobicContact CB-CG 4.25Å; N710-W715 HydrophobicContact CB-CH2 3.95Å; N710-W715 HydrophobicContact CB-CZ2 3.73Å; N710-W715 HydrophobicContact CB-CZ3 4.06Å; N710-W715 VanDerWaalsContact ND2-CZ2 3.26Å; N710-W715 WeakPolarHBondContact ND2-CZ2 3.24Å; C712-W715 PolarHBondContact O-N 3.23Å; A713-W715 VanDerWaalsContact C-N 3.33Å; W715-D717 VanDerWaalsContact C-N 3.25Å; W715-D717 VanDerWaalsContact CA-OD1 3.23Å; W715-D717 WeakPolarHBondContact CA-OD1 3.48Å; W715-D717 PolarHBondContact O-N 2.71Å; W715-E718 HydrophobicContact CE3-CB 4.47Å; W715-E718 HydrophobicContact CE3-CG 4.37Å; W715-E718 PolarHBondContact O-N 3.01Å | ||
| 716 | I | 86.2 | Confident | 77.9 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -70.9 | -21 | -175.2 | -157.5 | 176.9 | 0 | 0 | 0 | 114 | F456 A651 Y692 Y700 C712 T714 E718 M719 | F456-I716 HydrophobicContact CE1-CG1 4.41Å; F456-I716 HydrophobicContact CE2-CD1 4.3Å; F456-I716 HydrophobicContact CZ-CD1 4.01Å; F456-I716 HydrophobicContact CZ-CG1 4.31Å; A651-I716 HydrophobicContact CB-CD1 4.2Å; Y692-I716 HydrophobicContact CD2-CD1 3.16Å; Y692-I716 HydrophobicContact CD2-CG1 4.5Å; Y692-I716 HydrophobicContact CD2-CG2 4.4Å; Y692-I716 HydrophobicContact CE2-CD1 3.32Å; Y692-I716 HydrophobicContact CG-CD1 4.15Å; Y700-I716 HydrophobicContact CE1-CG2 3.89Å; C712-I716 HydrophobicContact CB-CG2 4.1Å; T714-I716 PolarHBondContact O-N 2.88Å; I716-E718 PolarHBondContact O-N 3.02Å; I716-M719 HydrophobicContact CD1-CE 4.12Å; I716-M719 HydrophobicContact CG1-CB 4.22Å; I716-M719 HydrophobicContact CG1-CE 3.82Å; I716-M719 HydrophobicContact CG1-SD 4.06Å; I716-M719 VanDerWaalsContact O-CB 3.22Å; I716-M719 WeakPolarHBondContact O-CB 3.47Å; I716-M719 PolarHBondContact O-N 2.69Å |
| 717 | D | 86.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -57.9 | -30.3 | 166.6 | 45.5 | -3.7 | 0 | 0 | 0 | 113.1 | Y700 C706 Q711 C712 W715 | Y700-D717 HydrophobicContact CD2-CB 4.11Å; Y700-D717 HydrophobicContact CE2-CB 4.31Å; Y700-D717 HydrophobicContact CG-CB 4.29Å; C706-D717 PolarHBondContact N-O 3.5Å; Q711-D717 VanDerWaalsContact CA-OD2 3.28Å; Q711-D717 WeakPolarHBondContact CA-OD2 3.38Å; Q711-D717 WeakPolarHBondContact CB-OD2 3.07Å; Q711-D717 PolarHBondContact N-OD2 3Å; Q711-D717 PolarHBondContact OE1-OD2 3.44Å; C712-D717 PolarHBondContact N-OD2 3.34Å; W715-D717 VanDerWaalsContact C-N 3.25Å; W715-D717 VanDerWaalsContact CA-OD1 3.23Å; W715-D717 WeakPolarHBondContact CA-OD1 3.48Å; W715-D717 PolarHBondContact O-N 2.71Å |
| 718 | E | 87 | Confident | 74.9 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 8% | 0.075 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -96.9 | 15.3 | 177.4 | -65.3 | -60.7 | 132.2 | 0 | 0 | 113.3 | V364 C706 D707 G708 W715 I716 C721 | V364-E718 HydrophobicContact CG2-CB 4.35Å; C706-E718 WeakPolarHBondContact CA-OE1 3.26Å; D707-E718 PolarHBondContact N-OE1 3.29Å; G708-E718 WeakPolarHBondContact CA-OE1 3.45Å; G708-E718 WeakPolarHBondContact CA-OE2 3.42Å; G708-E718 VanDerWaalsContact N-CD 3.34Å; G708-E718 PolarHBondContact N-OE1 2.78Å; G708-E718 PolarHBondContact N-OE2 3.15Å; W715-E718 HydrophobicContact CE3-CB 4.47Å; W715-E718 HydrophobicContact CE3-CG 4.37Å; W715-E718 PolarHBondContact O-N 3.01Å; I716-E718 PolarHBondContact O-N 3.02Å; E718-C721 VanDerWaalsContact CA-SG 3.55Å; E718-C721 PolarHBondContact O-SG 3.38Å; E718-C721 VanDerWaalsContact O-SG 3.4Å |
| 719 | M | 85.1 | Confident | 73.9 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 142.5 | 175.5 | -167.1 | 175.3 | 69.8 | 0 | 0 | 111.7 | V364 F456 I716 C721 | V364-M719 HydrophobicContact CB-CB 4.46Å; F456-M719 HydrophobicContact CE1-SD 3.72Å; F456-M719 HydrophobicContact CZ-SD 3.9Å; I716-M719 HydrophobicContact CD1-CE 4.12Å; I716-M719 HydrophobicContact CG1-CB 4.22Å; I716-M719 HydrophobicContact CG1-CE 3.82Å; I716-M719 HydrophobicContact CG1-SD 4.06Å; I716-M719 VanDerWaalsContact O-CB 3.22Å; I716-M719 WeakPolarHBondContact O-CB 3.47Å; I716-M719 PolarHBondContact O-N 2.69Å; M719-C721 PolarHBondContact O-N 2.71Å |
| 720 | D | 76.3 | Confident | 72.6 | Confident | 77 Ų | 77 | 63.4 Ų | 63.4 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 32.3 | -179.5 | -61.3 | -33.8 | 0 | 0 | 0 | 114.3 | N649 | N649-D720 PolarHBondContact ND2-OD1 2.76Š|
| 721 | C | 79.4 | Confident | 71.5 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 139.8 | 177.8 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | C706 E718 M719 E723 | C706-C721 WeakPolarHBondContact CA-SG 3.38Å; C706-C721 HydrophobicContact CB-CB 3.59Å; C706-C721 WeakPolarHBondContact CB-SG 3.07Å; C706-C721 WeakPolarHBondContact SG-CA 3.33Å; C706-C721 WeakPolarHBondContact SG-CB 2.89Å; C706-C721 CovalentContact SG-SG 2.03Å; C706-C721 PolarHBondContact SG-SG 3.19Å; E718-C721 VanDerWaalsContact CA-SG 3.55Å; E718-C721 PolarHBondContact O-SG 3.38Å; E718-C721 VanDerWaalsContact O-SG 3.4Å; M719-C721 PolarHBondContact O-N 2.71Å; C721-E723 PolarHBondContact O-N 2.73Å |
| 722 | P | 71.1 | Confident | 69.9 | Low | 116 Ų | 116 | 63 Ų | 63 | 75% | 0.753 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 124.7 | 176.5 | 24.4 | -31.7 | 0 | 0 | 0 | 108.8 | N724 | P722-N724 PolarHBondContact O-N 3.42Š|
| 723 | E | 65.5 | Low | 68.5 | Low | 87 Ų | 87 | 65 Ų | 65 | 41% | 0.407 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 134.4 | 175.6 | -66.3 | -174.6 | 154.7 | 0 | 0 | 109.6 | K358 C721 E725 N728 | K358-E723 WeakPolarHBondContact CE-OE1 2.99Å; K358-E723 IonicContact NZ-OE1 3.23Å; K358-E723 PolarHBondContact NZ-OE1 3.14Å; K358-E723 IonicContact NZ-OE2 2.67Å; K358-E723 PolarHBondContact NZ-OE2 2.86Å; C721-E723 PolarHBondContact O-N 2.73Å; E723-E725 PolarHBondContact O-N 2.83Å; E723-N728 PolarHBondContact OE2-ND2 2.91Å |
| 724 | N | 60 | Low | 67.3 | Low | 113 Ų | 113 | 67.1 Ų | 67.1 | 60% | 0.604 | 35% | 0.349 | S | S | * | . | trans | -60.9 | 110.8 | -179.6 | -131.5 | -16 | 0 | 0 | 0 | 109.6 | P722 T726 K727 | P722-N724 PolarHBondContact O-N 3.42Å; N724-T726 PolarHBondContact O-N 3.35Å; N724-K727 PolarHBondContact O-N 2.83Å | ||
| 725 | E | 54.6 | Low | 66.1 | Low | 150 Ų | 150 | 68.6 Ų | 68.6 | 70% | 0.701 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -54.3 | -27.9 | -174 | -71 | -171.4 | 166.2 | 0 | 0 | 112.7 | E723 K727 N728 | E723-E725 PolarHBondContact O-N 2.83Å; E725-K727 PolarHBondContact O-N 2.63Å; E725-N728 PolarHBondContact O-N 2.99Å; E725-N728 VanDerWaalsContact O-N 3.13Å |
| 726 | T | 52.6 | Low | 65 | Low | 123 Ų | 123 | 70.2 Ų | 70.2 | 76% | 0.755 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -62.4 | -21.9 | 178.1 | 60.4 | 0 | 0 | 0 | 0 | 113.8 | N724 | N724-T726 PolarHBondContact O-N 3.35Š|
| 727 | K | 51.4 | Low | 63.7 | Low | 168 Ų | 168 | 70.3 Ų | 70.3 | 73% | 0.73 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -90.3 | -18.5 | 177.8 | -70.2 | -174.4 | 177.9 | -179.8 | 0 | 113 | N724 E725 | N724-K727 PolarHBondContact O-N 2.83Å; E725-K727 PolarHBondContact O-N 2.63Å |
| 728 | N | 57.2 | Low | 62.8 | Low | 59 Ų | 59 | 71.6 Ų | 71.6 | 32% | 0.316 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -81.1 | 134.1 | 179.2 | -75.4 | -21.5 | 0 | 0 | 0 | 109.5 | K358 E723 E725 Q730 | K358-N728 PolarHBondContact NZ-OD1 3.02Å; E723-N728 PolarHBondContact OE2-ND2 2.91Å; E725-N728 PolarHBondContact O-N 2.99Å; E725-N728 VanDerWaalsContact O-N 3.13Å; N728-Q730 PolarHBondContact O-N 3.22Å |
| 729 | P | 57.6 | Low | 62.2 | Low | 20 Ų | 20 | 73.8 Ų | 73.8 | 13% | 0.13 | 39% | 0.386 | C | S | . | . | trans | -61.3 | 111.7 | 178 | 23.2 | -31.4 | 0 | 0 | 0 | 109.2 | Y633 | Y633-P729 HydrophobicContact CD2-CB 4.4Å; Y633-P729 HydrophobicContact CD2-CG 3.98Å; Y633-P729 HydrophobicContact CE2-CB 4.32Å; Y633-P729 HydrophobicContact CE2-CG 3.68Å; Y633-P729 PolarHBondContact OH-O 2.85Å | ||
| 730 | Q | 56.2 | Low | 61.6 | Low | 141 Ų | 141 | 73.1 Ų | 73.1 | 66% | 0.659 | 38% | 0.384 | S | S | * | . | trans | -75.5 | 132.8 | 174.9 | -69.3 | -158.7 | -13.2 | 0 | 0 | 110.1 | N728 L732 | N728-Q730 PolarHBondContact O-N 3.22Å; Q730-L732 PolarHBondContact O-N 2.84Å; Q730-L732 VanDerWaalsContact O-N 3.16Å | ||
| 731 | P | 55.6 | Low | 61.7 | Low | 67 Ų | 67 | 69.9 Ų | 69.9 | 44% | 0.435 | 37% | 0.366 | S | S | . | . | trans | -63.7 | 118.3 | 172.9 | 25.1 | -30.9 | 0 | 0 | 0 | 109.4 | Y633 R733 | Y633-P731 HydrophobicContact CD1-CB 4.11Å; Y633-P731 HydrophobicContact CE1-CB 3.88Å; Y633-P731 HydrophobicContact CE1-CG 4.06Å; P731-R733 PolarHBondContact O-N 2.74Å | ||
| 732 | L | 52.4 | Low | 61.5 | Low | 38 Ų | 38 | 69.4 Ų | 69.4 | 20% | 0.199 | 36% | 0.361 | C | S | . | . | trans | -69.6 | 75.6 | 166.6 | -82.5 | 158.9 | 0 | 0 | 0 | 109.6 | F347 K349 Y351 Q730 L734 | F347-L732 HydrophobicContact CE2-CD2 4.07Å; F347-L732 HydrophobicContact CZ-CD2 4.16Å; K349-L732 HydrophobicContact CB-CD1 3.51Å; K349-L732 HydrophobicContact CD-CD1 3.78Å; K349-L732 HydrophobicContact CD-CD2 4.35Å; K349-L732 HydrophobicContact CD-CG 4.41Å; K349-L732 HydrophobicContact CG-CD1 4.26Å; Y351-L732 HydrophobicContact CE2-CD1 3.84Å; Y351-L732 WeakPolarHBondContact OH-CD1 3.49Å; Q730-L732 PolarHBondContact O-N 2.84Å; Q730-L732 VanDerWaalsContact O-N 3.16Å; L732-L734 HydrophobicContact CD2-CD1 4.29Å | ||
| 733 | R | 54.7 | Low | 61.6 | Low | 45 Ų | 45 | 67.4 Ų | 67.4 | 17% | 0.17 | 34% | 0.339 | C | S | . | . | trans | -113.6 | 61.8 | 167.4 | -70.9 | -169.7 | -178.5 | 154.5 | 3.5 | 109.9 | R609 F636 P731 | R609-R733 VanDerWaalsContact CZ-NH1 3.27Å; R609-R733 VanDerWaalsContact NH1-NH1 3.19Å; F636-R733 PolarHBondContact O-NE 2.82Å; F636-R733 PolarHBondContact O-NH2 3.15Å; P731-R733 PolarHBondContact O-N 2.74Å | ||
| 734 | L | 57.1 | Low | 62.1 | Low | 85 Ų | 85 | 63.3 Ų | 63.3 | 45% | 0.445 | 32% | 0.319 | S | S | . | . | trans | -94.3 | 125.4 | 175.4 | -78.7 | 148.9 | 0 | 0 | 0 | 108.4 | I602 L732 N736 T737 | I602-L734 WeakPolarHBondContact CG2-O 2.99Å; L732-L734 HydrophobicContact CD2-CD1 4.29Å; L734-N736 PolarHBondContact O-N 3.24Å; L734-T737 HydrophobicContact CB-CG2 4.36Å; L734-T737 VanDerWaalsContact O-CG2 3.28Å; L734-T737 WeakPolarHBondContact O-CG2 3.38Å; L734-T737 PolarHBondContact O-N 3.27Å; L734-T737 VanDerWaalsContact O-N 3.11Å; L734-T737 PolarHBondContact O-OG1 2.79Å | ||
| 735 | I | 56.8 | Low | 62.9 | Low | 34 Ų | 34 | 58.1 Ų | 58.1 | 17% | 0.174 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -57.2 | -18.7 | 174.8 | -60.6 | 172.3 | 0 | 0 | 0 | 112.4 | P139 I140 Q223 I602 T737 I740 | P139-I735 HydrophobicContact CB-CD1 4.29Å; I140-I735 HydrophobicContact CD1-CG2 4.02Å; Q223-I735 HydrophobicContact CB-CD1 4.18Å; I602-I735 VanDerWaalsContact CG2-CA 3.43Å; I602-I735 HydrophobicContact CG2-CB 4.36Å; I602-I735 HydrophobicContact CG2-CG1 4.39Å; I735-T737 PolarHBondContact O-N 3.27Å; I735-I740 HydrophobicContact CG2-CD1 3.87Å |
| 736 | N | 61.9 | Low | 63.8 | Low | 72 Ų | 72 | 55.5 Ų | 55.5 | 39% | 0.385 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -95.4 | 31.9 | 178.3 | -58.9 | -25.8 | 0 | 0 | 0 | 112.9 | K225 W345 F347 L734 | K225-N736 PolarHBondContact NZ-OD1 2.78Å; K225-N736 VanDerWaalsContact NZ-OD1 3.13Å; W345-N736 HydrophobicContact CH2-CB 4.26Å; W345-N736 WeakPolarHBondContact CH2-O 2.94Å; W345-N736 WeakPolarHBondContact CZ3-O 3.39Å; F347-N736 WeakPolarHBondContact CD1-O 3.5Å; F347-N736 WeakPolarHBondContact CE1-O 3.45Å; L734-N736 PolarHBondContact O-N 3.24Å |
| 737 | T | 58.4 | Low | 64.8 | Low | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.043 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -78.1 | -28.3 | 173.8 | 46.1 | 0 | 0 | 0 | 0 | 114.1 | L240 A346 F347 L734 I735 | L240-T737 HydrophobicContact CD2-CG2 4.32Å; A346-T737 CarbonylContact C-O 3.29Å; A346-T737 VanDerWaalsContact CA-O 3.31Å; A346-T737 WeakPolarHBondContact CA-O 3.41Å; F347-T737 HydrophobicContact CD1-CG2 4.34Å; F347-T737 HydrophobicContact CE1-CG2 3.61Å; F347-T737 HydrophobicContact CE2-CG2 4.47Å; F347-T737 HydrophobicContact CZ-CG2 3.65Å; F347-T737 PolarHBondContact N-O 2.9Å; L734-T737 HydrophobicContact CB-CG2 4.36Å; L734-T737 VanDerWaalsContact O-CG2 3.28Å; L734-T737 WeakPolarHBondContact O-CG2 3.38Å; L734-T737 PolarHBondContact O-N 3.27Å; L734-T737 VanDerWaalsContact O-N 3.11Å; L734-T737 PolarHBondContact O-OG1 2.79Å; I735-T737 PolarHBondContact O-N 3.27Å |
| 738 | F | 67.3 | Low | 66 | Low | 26 Ų | 26 | 45.3 Ų | 45.3 | 11% | 0.114 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -154.5 | 171.4 | 176.2 | 65 | -102.1 | 0 | 0 | 0 | 111.3 | W345 A346 D598 I602 | W345-F738 CarbonylContact O-C 3.48Å; W345-F738 VanDerWaalsContact O-CA 3.24Å; W345-F738 WeakPolarHBondContact O-CA 3.13Å; W345-F738 WeakPolarHBondContact O-CB 3.46Å; A346-F738 HydrophobicContact CB-CB 3.79Å; D598-F738 HydrophobicContact CB-CZ 4.19Å; I602-F738 HydrophobicContact CD1-CD1 4Å; I602-F738 HydrophobicContact CD1-CE1 3.06Å; I602-F738 HydrophobicContact CD1-CE2 3.76Å; I602-F738 HydrophobicContact CD1-CZ 2.93Å; I602-F738 HydrophobicContact CG1-CD1 4.01Å; I602-F738 HydrophobicContact CG1-CE1 3.17Å; I602-F738 HydrophobicContact CG1-CZ 3.65Å |
| 739 | D | 74.2 | Confident | 67.4 | Low | 62 Ų | 62 | 43.8 Ų | 43.8 | 33% | 0.332 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -75.5 | 124.9 | 179.8 | -153 | 9.8 | 0 | 0 | 0 | 113 | W345 L741 | W345-D739 HydrophobicContact CD2-CB 4.49Å; W345-D739 HydrophobicContact CG-CB 4.26Å; W345-D739 PolarHBondContact O-N 2.98Å; D739-L741 PolarHBondContact O-N 2.82Å |
| 740 | I | 73.9 | Confident | 68.9 | Low | 12 Ų | 12 | 44.3 Ų | 44.3 | 6% | 0.062 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -79.7 | 120.8 | -171.7 | -60.1 | 176.6 | 0 | 0 | 0 | 109.4 | I140 I735 Q744 W745 | I140-I740 HydrophobicContact CD1-CD1 3.11Å; I735-I740 HydrophobicContact CG2-CD1 3.87Å; I740-Q744 HydrophobicContact CG2-CB 4.02Å; I740-W745 HydrophobicContact CB-CZ2 4.09Å; I740-W745 HydrophobicContact CG2-CD2 4.26Å; I740-W745 HydrophobicContact CG2-CH2 4.42Å; I740-W745 HydrophobicContact CG2-CZ2 3.69Å |
| 741 | L | 77.4 | Confident | 70.5 | Confident | 9 Ų | 9 | 38.3 Ų | 38.3 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -84.2 | 158.6 | -171.5 | -54.6 | 168.8 | 0 | 0 | 0 | 112 | D233 N235 D739 R743 Q744 W745 | D233-L741 HydrophobicContact CB-CD2 3.75Å; N235-L741 HydrophobicContact CB-CD1 3.63Å; N235-L741 HydrophobicContact CB-CD2 4.08Å; N235-L741 HydrophobicContact CB-CG 4.48Å; D739-L741 PolarHBondContact O-N 2.82Å; L741-R743 HydrophobicContact CB-CG 4.1Å; L741-R743 PolarHBondContact O-N 2.91Å; L741-R743 VanDerWaalsContact O-N 3.08Å; L741-Q744 VanDerWaalsContact N-OE1 3.08Å; L741-Q744 WeakPolarHBondContact O-CB 3.42Å; L741-Q744 PolarHBondContact O-N 2.92Å; L741-W745 VanDerWaalsContact O-CD1 3.24Å |
| 742 | N | 75.4 | Confident | 72.2 | Confident | 23 Ų | 23 | 37.3 Ų | 37.3 | 12% | 0.123 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -48.3 | -43.3 | 176.8 | -167.6 | 49.6 | 0 | 0 | 0 | 114 | Y227 D233 T258 Q744 W745 | Y227-N742 VanDerWaalsContact CE1-OD1 3.29Å; Y227-N742 WeakPolarHBondContact CE1-OD1 3.2Å; Y227-N742 WeakPolarHBondContact OH-CA 3.48Å; Y227-N742 WeakPolarHBondContact OH-CB 2.99Å; Y227-N742 VanDerWaalsContact OH-CG 3.3Å; Y227-N742 PolarHBondContact OH-N 2.79Å; Y227-N742 PolarHBondContact OH-OD1 2.77Å; D233-N742 WeakPolarHBondContact OD2-CB 3.48Å; D233-N742 PolarHBondContact OD2-N 2.85Å; T258-N742 HydrophobicContact CG2-CB 4.43Å; N742-Q744 PolarHBondContact O-N 2.96Å; N742-W745 WeakPolarHBondContact O-CB 3.33Å; N742-W745 PolarHBondContact O-N 2.99Å; N742-W745 VanDerWaalsContact O-N 3.1Å |
| 743 | R | 73.7 | Confident | 74.1 | Confident | 75 Ų | 75 | 38.9 Ų | 38.9 | 28% | 0.283 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.4 | -21.2 | -176.5 | 76.8 | 179.7 | -176.8 | -178.5 | 2.3 | 113.6 | D598 L741 M772 | D598-R743 IonicContact OD2-CZ 2.77Å; D598-R743 IonicContact OD2-NE 3.99Å; D598-R743 IonicContact OD2-NH2 2.69Å; D598-R743 PolarHBondContact OD2-NH2 3.26Å; L741-R743 HydrophobicContact CB-CG 4.1Å; L741-R743 PolarHBondContact O-N 2.91Å; L741-R743 VanDerWaalsContact O-N 3.08Å; R743-M772 HydrophobicContact CB-CE 4.42Å; R743-M772 HydrophobicContact CB-CG 4.49Å; R743-M772 HydrophobicContact CB-SD 3.52Å; R743-M772 VanDerWaalsContact CB-SD 3.52Å; R743-M772 HydrophobicContact CG-SD 4.43Å; R743-M772 WeakPolarHBondContact O-CE 3.45Å; R743-M772 VanDerWaalsContact O-SD 3.35Å |
| 744 | Q | 75.6 | Confident | 75.8 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -88.1 | -11.3 | -179.9 | -65.5 | 165.4 | -13.6 | 0 | 0 | 112.1 | D598 L599 I740 L741 N742 G748 | D598-Q744 PolarHBondContact OD2-NE2 2.78Å; L599-Q744 HydrophobicContact CD1-CB 4.36Å; L599-Q744 WeakPolarHBondContact CD1-O 3.45Å; L599-Q744 HydrophobicContact CD2-CB 4.15Å; L599-Q744 HydrophobicContact CG-CB 4.19Å; L599-Q744 HydrophobicContact CG-CG 4.43Å; I740-Q744 HydrophobicContact CG2-CB 4.02Å; L741-Q744 VanDerWaalsContact N-OE1 3.08Å; L741-Q744 WeakPolarHBondContact O-CB 3.42Å; L741-Q744 PolarHBondContact O-N 2.92Å; N742-Q744 PolarHBondContact O-N 2.96Å; Q744-G748 WeakPolarHBondContact O-CA 3.13Å |
| 745 | W | 77.6 | Confident | 77.5 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -86.2 | -71.1 | -174 | -73.6 | 114.6 | 0 | 0 | 0 | 113.8 | K138 I140 Y141 H142 Q145 K225 Y227 I740 L741 N742 | K138-W745 PolarHBondContact NZ-O 2.97Å; I140-W745 HydrophobicContact CB-CZ3 4.33Å; I140-W745 HydrophobicContact CD1-CH2 3.29Å; I140-W745 HydrophobicContact CD1-CZ2 4.11Å; I140-W745 HydrophobicContact CD1-CZ3 3.79Å; I140-W745 HydrophobicContact CG1-CH2 3.64Å; I140-W745 HydrophobicContact CG1-CZ3 3.63Å; I140-W745 HydrophobicContact CG2-CH2 4.49Å; I140-W745 HydrophobicContact CG2-CZ3 4.04Å; Y141-W745 WeakPolarHBondContact O-CZ3 3.42Å; H142-W745 HydrophobicContact CB-CD2 4.28Å; H142-W745 HydrophobicContact CB-CE3 3.75Å; H142-W745 HydrophobicContact CB-CH2 4.44Å; H142-W745 HydrophobicContact CB-CZ3 3.85Å; H142-W745 AromaticContact CD2-CD2 3.99Å; H142-W745 AromaticContact CD2-CE3 3.71Å; Q145-W745 PolarHBondContact NE2-O 2.8Å; K225-W745 HydrophobicContact CB-CH2 3.93Å; K225-W745 HydrophobicContact CB-CZ2 4.47Å; K225-W745 HydrophobicContact CG-CH2 4.44Å; Y227-W745 HydrophobicContact CD1-CB 4.36Å; Y227-W745 AromaticContact CD1-CD1 3.44Å; Y227-W745 VanDerWaalsContact CD1-CD1 3.44Å; Y227-W745 HydrophobicContact CD1-CD2 4.27Å; Y227-W745 AromaticContact CD1-CG 3.78Å; Y227-W745 HydrophobicContact CD1-CG 3.78Å; Y227-W745 AromaticContact CD1-NE1 3.71Å; Y227-W745 AromaticContact CD2-CD1 3.76Å; Y227-W745 AromaticContact CD2-CE2 3.86Å; Y227-W745 HydrophobicContact CD2-CZ2 4.34Å; Y227-W745 AromaticContact CD2-NE1 3.21Å; Y227-W745 HydrophobicContact CE1-CB 4.41Å; Y227-W745 AromaticContact CE1-CD1 3.36Å; Y227-W745 AromaticContact CE1-CG 3.99Å; Y227-W745 HydrophobicContact CE1-CG 3.99Å; Y227-W745 AromaticContact CE1-NE1 3.89Å; Y227-W745 AromaticContact CE2-CD1 3.68Å; Y227-W745 AromaticContact CE2-NE1 3.41Å; Y227-W745 AromaticContact CG-CD1 3.63Å; Y227-W745 HydrophobicContact CG-CD2 4.19Å; Y227-W745 AromaticContact CG-CE2 3.71Å; Y227-W745 HydrophobicContact CG-CG 4.12Å; Y227-W745 HydrophobicContact CG-CZ2 4.28Å; Y227-W745 AromaticContact CG-NE1 3.36Å; Y227-W745 AromaticContact CZ-CD1 3.48Å; Y227-W745 VanDerWaalsContact CZ-CD1 3.48Å; Y227-W745 AromaticContact CZ-NE1 3.75Å; I740-W745 HydrophobicContact CB-CZ2 4.09Å; I740-W745 HydrophobicContact CG2-CD2 4.26Å; I740-W745 HydrophobicContact CG2-CH2 4.42Å; I740-W745 HydrophobicContact CG2-CZ2 3.69Å; L741-W745 VanDerWaalsContact O-CD1 3.24Å; N742-W745 WeakPolarHBondContact O-CB 3.33Å; N742-W745 PolarHBondContact O-N 2.99Å; N742-W745 VanDerWaalsContact O-N 3.1Å |
| 746 | N | 73 | Confident | 79.2 | Confident | 96 Ų | 96 | 37.8 Ų | 37.8 | 51% | 0.513 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -73.7 | -46.2 | -172 | -74.4 | -14.3 | 0 | 0 | 0 | 112.5 | H142 Q145 | H142-N746 PolarHBondContact NE2-OD1 3.08Å; Q145-N746 PolarHBondContact NE2-OD1 3.46Å |
| 747 | D | 72.5 | Confident | 80.7 | Confident | 76 Ų | 76 | 34.6 Ų | 34.6 | 41% | 0.406 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -99.7 | 8.4 | -176.5 | -60 | -36.6 | 0 | 0 | 0 | 112.7 | A749 P770 M772 W776 | D747-A749 PolarHBondContact O-N 2.73Å; D747-P770 HydrophobicContact CB-CB 4.19Å; D747-M772 HydrophobicContact CB-SD 4.42Å; D747-W776 HydrophobicContact CB-CH2 4.5Å; D747-W776 WeakPolarHBondContact O-CH2 3.27Å; D747-W776 WeakPolarHBondContact O-CZ3 3.23Å |
| 748 | G | 76.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -61.4 | -16.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | M595 H596 Q744 | M595-G748 CarbonylContact C-O 3.52Å; M595-G748 WeakPolarHBondContact CA-O 3.33Å; H596-G748 PolarHBondContact N-O 3.48Å; Q744-G748 WeakPolarHBondContact O-CA 3.13Å |
| 749 | A | 87.5 | Confident | 83.6 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 23% | 0.231 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 141.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K138 V594 D747 | K138-A749 HydrophobicContact CB-CB 4.06Å; K138-A749 HydrophobicContact CD-CB 4.27Å; K138-A749 HydrophobicContact CG-CB 4.43Å; V594-A749 CarbonylContact O-C 3.43Å; V594-A749 WeakPolarHBondContact O-CA 3.5Å; V594-A749 WeakPolarHBondContact O-CB 3.49Å; D747-A749 PolarHBondContact O-N 2.73Å |
| 750 | W | 89.6 | Confident | 84.4 | Confident | 31 Ų | 31 | 44.7 Ų | 44.7 | 12% | 0.117 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | -174.9 | 177.4 | 58.7 | -82.6 | 0 | 0 | 0 | 109.8 | L578 V594 W752 V767 L769 P770 W776 F798 | L578-W750 HydrophobicContact CD1-CH2 3.47Å; L578-W750 VanDerWaalsContact CD1-CH2 3.47Å; L578-W750 HydrophobicContact CD1-CZ2 4.06Å; L578-W750 HydrophobicContact CD1-CZ3 4.43Å; V594-W750 HydrophobicContact CB-CD2 4.14Å; V594-W750 HydrophobicContact CB-CG 4.4Å; V594-W750 HydrophobicContact CB-CZ2 4.35Å; V594-W750 WeakPolarHBondContact CB-O 3.39Å; V594-W750 HydrophobicContact CG1-CD2 4.18Å; V594-W750 HydrophobicContact CG1-CG 4.46Å; V594-W750 HydrophobicContact CG1-CZ2 3.78Å; V594-W750 HydrophobicContact CG2-CH2 4.36Å; V594-W750 HydrophobicContact CG2-CZ2 4.38Å; V594-W750 PolarHBondContact N-O 3.27Å; V594-W750 PolarHBondContact O-N 2.68Å; V594-W750 VanDerWaalsContact O-O 3.11Å; W750-W752 PolarHBondContact O-N 3.06Å; W750-V767 HydrophobicContact CE3-CG1 3.93Å; W750-V767 HydrophobicContact CZ3-CB 4.35Å; W750-V767 HydrophobicContact CZ3-CG1 3.74Å; W750-L769 HydrophobicContact CH2-CD1 4.18Å; W750-L769 HydrophobicContact CZ2-CD1 3.65Å; W750-P770 HydrophobicContact CB-CG 4.43Å; W750-P770 HydrophobicContact CD2-CG 4.18Å; W750-P770 HydrophobicContact CG-CG 3.84Å; W750-W776 AromaticContact CD1-CE3 3.84Å; W750-W776 AromaticContact CD1-CH2 3.91Å; W750-W776 AromaticContact CD1-CZ3 3.61Å; W750-W776 HydrophobicContact CZ2-CG 4.44Å; W750-W776 AromaticContact NE1-CD2 3.41Å; W750-W776 AromaticContact NE1-CE2 3.7Å; W750-W776 AromaticContact NE1-CE3 3.29Å; W750-W776 VanDerWaalsContact NE1-CE3 3.29Å; W750-W776 AromaticContact NE1-CH2 3.78Å; W750-W776 AromaticContact NE1-CZ2 3.88Å; W750-W776 AromaticContact NE1-CZ3 3.5Å; W750-F798 HydrophobicContact CH2-CE2 4.37Å; W750-F798 AromaticContact CH2-CZ 3.9Å; W750-F798 HydrophobicContact CH2-CZ 3.9Å; W750-F798 HydrophobicContact CZ2-CE2 4.03Å; W750-F798 AromaticContact CZ2-CZ 3.59Å; W750-F798 HydrophobicContact CZ2-CZ 3.59Å |
| 751 | L | 90 | Very high | 85.2 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 7% | 0.073 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.3 | 42.5 | -175.9 | -162.2 | 71.9 | 0 | 0 | 0 | 114.3 | M565 I580 F592 S593 V594 H753 F765 V767 | M565-L751 HydrophobicContact CE-CD2 3.91Å; I580-L751 HydrophobicContact CD1-CD1 3.37Å; I580-L751 HydrophobicContact CD1-CD2 3.49Å; I580-L751 VanDerWaalsContact CD1-CD2 3.49Å; I580-L751 HydrophobicContact CD1-CG 4.07Å; F592-L751 CarbonylContact C-O 3.47Å; F592-L751 VanDerWaalsContact C-O 3.24Å; F592-L751 HydrophobicContact CB-CD2 3.74Å; F592-L751 HydrophobicContact CB-CG 3.96Å; F592-L751 HydrophobicContact CG-CD2 4.42Å; S593-L751 WeakPolarHBondContact CA-O 3.28Å; S593-L751 PolarHBondContact N-O 3.44Å; V594-L751 HydrophobicContact CB-CB 4.06Å; V594-L751 HydrophobicContact CG2-CB 3.65Å; V594-L751 HydrophobicContact CG2-CD2 3.52Å; V594-L751 HydrophobicContact CG2-CG 4.22Å; L751-H753 VanDerWaalsContact C-N 3.27Å; L751-H753 PolarHBondContact O-N 2.87Å; L751-F765 HydrophobicContact CD1-CE2 3.6Å; L751-F765 HydrophobicContact CD1-CZ 3.94Å; L751-V767 HydrophobicContact CD1-CB 4.35Å; L751-V767 HydrophobicContact CD1-CG1 4.19Å; L751-V767 HydrophobicContact CD1-CG2 3.65Å |
| 752 | W | 90.3 | Very high | 86 | Confident | 46 Ų | 46 | 47.4 Ų | 47.4 | 17% | 0.174 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 78.2 | 170.8 | -162.6 | -100.7 | 0 | 0 | 0 | 109.9 | H135 R148 R150 W750 | H135-W752 AromaticContact CD2-CH2 3.8Å; H135-W752 AromaticContact CE1-CH2 3.95Å; H135-W752 AromaticContact CE1-CZ3 3.85Å; H135-W752 AromaticContact CG-CH2 3.95Å; H135-W752 AromaticContact NE2-CH2 3.81Å; H135-W752 AromaticContact NE2-CZ3 3.63Å; R148-W752 HydrophobicContact CB-CD2 4.44Å; R148-W752 HydrophobicContact CB-CG 4.46Å; R150-W752 HydrophobicContact CB-CZ2 4.39Å; R150-W752 HydrophobicContact CG-CH2 4.43Å; R150-W752 HydrophobicContact CG-CZ2 3.66Å; W750-W752 PolarHBondContact O-N 3.06Å |
| 753 | H | 91.8 | Very high | 86.8 | Confident | 72 Ų | 72 | 47 Ų | 47 | 33% | 0.333 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 138.8 | -170.2 | -172.5 | 61.5 | 0 | 0 | 0 | 111.8 | R150 F592 L751 T755 F765 | R150-H753 PolarHBondContact NH2-O 2.83Å; F592-H753 PolarHBondContact N-O 3.34Å; L751-H753 VanDerWaalsContact C-N 3.27Å; L751-H753 PolarHBondContact O-N 2.87Å; H753-T755 WeakPolarHBondContact NE2-CG2 3.43Å; H753-F765 AromaticContact CD2-CE2 3.72Å; H753-F765 AromaticContact CD2-CZ 3.6Å |
| 754 | S | 91.6 | Very high | 87.7 | Confident | 19 Ų | 19 | 48.2 Ų | 48.2 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 128.8 | -177.4 | -50.1 | 0 | 0 | 0 | 0 | 109.8 | R150 E193 Y589 I590 | R150-S754 PolarHBondContact NE-OG 2.82Å; R150-S754 PolarHBondContact NH2-OG 2.99Å; E193-S754 WeakPolarHBondContact OE1-CB 3.31Å; E193-S754 PolarHBondContact OE1-OG 3.09Å; Y589-S754 WeakPolarHBondContact OH-CB 3.31Å; I590-S754 WeakPolarHBondContact O-CA 3.23Å |
| 755 | T | 92.9 | Very high | 88.5 | Confident | 29 Ų | 29 | 50 Ų | 50 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 161.7 | -176 | 44.9 | 0 | 0 | 0 | 0 | 112.4 | I590 H753 I763 | I590-T755 WeakPolarHBondContact CG2-O 2.86Å; I590-T755 PolarHBondContact N-O 3.46Å; I590-T755 PolarHBondContact O-N 2.85Å; H753-T755 WeakPolarHBondContact NE2-CG2 3.43Å; T755-I763 HydrophobicContact CG2-CD1 4.37Å; T755-I763 WeakPolarHBondContact OG1-CD1 3.27Å |
| 756 | F | 92.7 | Very high | 89.2 | Confident | 93 Ų | 93 | 58.3 Ų | 58.3 | 41% | 0.408 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 138.7 | 168.6 | -72 | -80.3 | 0 | 0 | 0 | 111.2 | I188 Y589 I763 | I188-F756 HydrophobicContact CB-CE2 4.37Å; I188-F756 HydrophobicContact CB-CZ 3.83Å; I188-F756 HydrophobicContact CG2-CE1 4.39Å; I188-F756 HydrophobicContact CG2-CE2 4.37Å; I188-F756 HydrophobicContact CG2-CZ 3.6Å; Y589-F756 AromaticContact CD2-CD1 3.92Å; Y589-F756 HydrophobicContact CD2-CD1 3.92Å; Y589-F756 HydrophobicContact CD2-CD2 4.01Å; Y589-F756 AromaticContact CD2-CE1 3.67Å; Y589-F756 HydrophobicContact CD2-CE1 3.67Å; Y589-F756 AromaticContact CD2-CE2 3.76Å; Y589-F756 HydrophobicContact CD2-CE2 3.76Å; Y589-F756 HydrophobicContact CD2-CG 4.08Å; Y589-F756 AromaticContact CD2-CZ 3.57Å; Y589-F756 HydrophobicContact CD2-CZ 3.57Å; Y589-F756 HydrophobicContact CE2-CD2 4.26Å; Y589-F756 AromaticContact CE2-CE2 3.92Å; Y589-F756 HydrophobicContact CE2-CE2 3.92Å; Y589-F756 HydrophobicContact CE2-CZ 4.09Å; Y589-F756 HydrophobicContact CG-CE1 4.36Å; F756-I763 WeakPolarHBondContact O-CD1 3.38Å |
| 757 | V | 93.3 | Very high | 90.1 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.03 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 132.3 | 172.5 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | A584 G587 S588 I590 | A584-V757 HydrophobicContact CB-CG2 3.99Å; G587-V757 PolarHBondContact N-O 3.12Å; S588-V757 WeakPolarHBondContact O-CG2 3.48Å; S588-V757 PolarHBondContact O-N 2.66Å; S588-V757 WeakPolarHBondContact OG-CG2 3.21Å; I590-V757 HydrophobicContact CB-CG2 3.92Å; I590-V757 HydrophobicContact CG2-CG2 3.66Å |
| 758 | K | 93.3 | Very high | 90.9 | Very high | 114 Ų | 114 | 57.8 Ų | 57.8 | 50% | 0.496 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 169 | 180 | -66.8 | 177.5 | -178.2 | -178.6 | 0 | 111.4 | D760 G761 Q762 | K758-D760 WeakPolarHBondContact CB-OD1 3.3Å; K758-D760 PolarHBondContact O-N 2.7Å; K758-D760 VanDerWaalsContact O-N 3.11Å; K758-G761 PolarHBondContact O-N 3.22Å; K758-Q762 WeakPolarHBondContact CB-O 3.3Å |
| 759 | A | 92.4 | Very high | 91.4 | Very high | 97 Ų | 97 | 58.1 Ų | 58.1 | 80% | 0.802 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -24.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P586 G761 | P586-A759 WeakPolarHBondContact CG-O 3.37Å; A759-G761 VanDerWaalsContact C-N 3.27Å; A759-G761 PolarHBondContact O-N 3.4Å |
| 760 | D | 91.7 | Very high | 91.3 | Very high | 96 Ų | 96 | 57.9 Ų | 57.9 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 1.8 | 176.4 | 60.7 | -13.8 | 0 | 0 | 0 | 113.7 | K758 Q762 | K758-D760 WeakPolarHBondContact CB-OD1 3.3Å; K758-D760 PolarHBondContact O-N 2.7Å; K758-D760 VanDerWaalsContact O-N 3.11Å; D760-Q762 VanDerWaalsContact C-N 3.26Å; D760-Q762 HydrophobicContact CB-CG 4.26Å; D760-Q762 PolarHBondContact O-N 2.93Å; D760-Q762 PolarHBondContact OD1-N 2.93Å; D760-Q762 WeakPolarHBondContact OD2-CG 3.21Å; D760-Q762 PolarHBondContact OD2-NE2 3.18Å |
| 761 | G | 90.7 | Very high | 90.7 | Very high | 13 Ų | 13 | 61 Ų | 61 | 13% | 0.134 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 76.7 | 10.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y583 A584 K758 A759 | Y583-G761 WeakPolarHBondContact CA-O 3.29Å; A584-G761 PolarHBondContact N-O 3.13Å; A584-G761 CarbonylContact O-C 3.54Å; A584-G761 WeakPolarHBondContact O-CA 3.43Å; K758-G761 PolarHBondContact O-N 3.22Å; A759-G761 VanDerWaalsContact C-N 3.27Å; A759-G761 PolarHBondContact O-N 3.4Å |
| 762 | Q | 92.7 | Very high | 90.1 | Very high | 64 Ų | 64 | 61.2 Ų | 61.2 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 150.3 | 179.7 | 58.4 | 178.8 | -7.9 | 0 | 0 | 112.1 | G582 Y583 K758 D760 | G582-Q762 CarbonylContact O-C 3.53Å; G582-Q762 VanDerWaalsContact O-CA 3.27Å; G582-Q762 WeakPolarHBondContact O-CA 3.43Å; Y583-Q762 HydrophobicContact CD1-CB 4.02Å; Y583-Q762 HydrophobicContact CE1-CB 4.01Å; K758-Q762 WeakPolarHBondContact CB-O 3.3Å; D760-Q762 VanDerWaalsContact C-N 3.26Å; D760-Q762 HydrophobicContact CB-CG 4.26Å; D760-Q762 PolarHBondContact O-N 2.93Å; D760-Q762 PolarHBondContact OD1-N 2.93Å; D760-Q762 WeakPolarHBondContact OD2-CG 3.21Å; D760-Q762 PolarHBondContact OD2-NE2 3.18Å |
| 763 | I | 93.2 | Very high | 89.5 | Confident | 16 Ų | 16 | 61 Ų | 61 | 8% | 0.082 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 136.2 | 168.3 | -173 | 122.3 | 0 | 0 | 0 | 108.6 | R581 G582 I590 F592 T755 F756 F765 | R581-I763 CarbonylContact C-O 3.55Å; R581-I763 VanDerWaalsContact CA-O 3.26Å; R581-I763 WeakPolarHBondContact CA-O 3.27Å; G582-I763 PolarHBondContact N-O 3.37Å; G582-I763 PolarHBondContact O-N 2.84Å; I590-I763 HydrophobicContact CG2-CG2 4.12Å; F592-I763 HydrophobicContact CE2-CG2 4.07Å; F592-I763 HydrophobicContact CZ-CG2 3.76Å; T755-I763 HydrophobicContact CG2-CD1 4.37Å; T755-I763 WeakPolarHBondContact OG1-CD1 3.27Å; F756-I763 WeakPolarHBondContact O-CD1 3.38Å; I763-F765 HydrophobicContact CG1-CD1 4.12Å |
| 764 | Q | 92.4 | Very high | 89 | Confident | 99 Ų | 99 | 57.9 Ų | 57.9 | 46% | 0.463 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 130.1 | 174.3 | 67.1 | -179.2 | 0.2 | 0 | 0 | 110 | I580 R581 | I580-Q764 WeakPolarHBondContact O-CA 3.39Å; R581-Q764 HydrophobicContact CG-CB 4.29Å |
| 765 | F | 93 | Very high | 88.9 | Confident | 39 Ų | 39 | 60.7 Ų | 60.7 | 17% | 0.171 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 158.6 | 173.5 | 60.9 | -80.1 | 0 | 0 | 0 | 109.8 | I580 F592 L751 H753 I763 V767 | I580-F765 HydrophobicContact CB-CE1 4.26Å; I580-F765 HydrophobicContact CB-CE2 4.49Å; I580-F765 HydrophobicContact CB-CZ 4.16Å; I580-F765 HydrophobicContact CD1-CE2 4.12Å; I580-F765 HydrophobicContact CD1-CZ 4.24Å; I580-F765 HydrophobicContact CG2-CE1 3.97Å; I580-F765 HydrophobicContact CG2-CZ 3.97Å; I580-F765 PolarHBondContact N-O 2.94Å; I580-F765 PolarHBondContact O-N 3.43Å; F592-F765 HydrophobicContact CD2-CE1 4.04Å; F592-F765 AromaticContact CD2-CZ 3.91Å; F592-F765 HydrophobicContact CD2-CZ 3.91Å; F592-F765 AromaticContact CE2-CE1 3.71Å; F592-F765 HydrophobicContact CE2-CE1 3.71Å; F592-F765 HydrophobicContact CE2-CZ 4.08Å; F592-F765 HydrophobicContact CG-CZ 4.47Å; F592-F765 HydrophobicContact CZ-CE1 4.26Å; L751-F765 HydrophobicContact CD1-CE2 3.6Å; L751-F765 HydrophobicContact CD1-CZ 3.94Å; H753-F765 AromaticContact CD2-CE2 3.72Å; H753-F765 AromaticContact CD2-CZ 3.6Å; I763-F765 HydrophobicContact CG1-CD1 4.12Å; F765-V767 HydrophobicContact CD2-CG2 3.45Å; F765-V767 VanDerWaalsContact CD2-CG2 3.45Å; F765-V767 HydrophobicContact CE2-CG2 3.4Å; F765-V767 VanDerWaalsContact CE2-CG2 3.4Å |
| 766 | R | 92.6 | Very high | 88.7 | Confident | 178 Ų | 178 | 59.3 Ų | 59.3 | 67% | 0.672 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 141.6 | 179.1 | -66.4 | -175.8 | -174.2 | 175.5 | 1.6 | 109.8 | L578 E579 | L578-R766 CarbonylContact O-C 3.05Å; L578-R766 VanDerWaalsContact O-CA 3.32Å; L578-R766 WeakPolarHBondContact O-CA 3.49Å; E579-R766 HydrophobicContact CB-CG 4.48Å |
| 767 | V | 91.9 | Very high | 88.6 | Confident | 30 Ų | 30 | 55 Ų | 55 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 141.8 | -178.8 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | T577 L578 I580 W750 L751 F765 | T577-V767 WeakPolarHBondContact CA-O 3.32Å; L578-V767 PolarHBondContact N-O 3.49Å; L578-V767 PolarHBondContact O-N 3.47Å; I580-V767 HydrophobicContact CD1-CB 4.23Å; I580-V767 HydrophobicContact CD1-CG2 3.86Å; W750-V767 HydrophobicContact CE3-CG1 3.93Å; W750-V767 HydrophobicContact CZ3-CB 4.35Å; W750-V767 HydrophobicContact CZ3-CG1 3.74Å; L751-V767 HydrophobicContact CD1-CB 4.35Å; L751-V767 HydrophobicContact CD1-CG1 4.19Å; L751-V767 HydrophobicContact CD1-CG2 3.65Å; F765-V767 HydrophobicContact CD2-CG2 3.45Å; F765-V767 VanDerWaalsContact CD2-CG2 3.45Å; F765-V767 HydrophobicContact CE2-CG2 3.4Å; F765-V767 VanDerWaalsContact CE2-CG2 3.4Å |
| 768 | D | 89.4 | Confident | 88.5 | Confident | 131 Ų | 131 | 54.8 Ų | 54.8 | 70% | 0.701 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 127.3 | 174.9 | -58.8 | -34.2 | 0 | 0 | 0 | 110.1 | ||
| 769 | L | 87.1 | Confident | 88.3 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 131.5 | 177.9 | 178.3 | 67.5 | 0 | 0 | 0 | 109.7 | D576 L578 W750 K771 F798 G800 R802 | D576-L769 WeakPolarHBondContact O-CB 3.5Å; D576-L769 PolarHBondContact O-N 3.05Å; L578-L769 HydrophobicContact CD1-CB 4.09Å; L578-L769 HydrophobicContact CD1-CD1 3.58Å; L578-L769 HydrophobicContact CD1-CD2 4.46Å; L578-L769 HydrophobicContact CD1-CG 4.23Å; L578-L769 HydrophobicContact CG-CB 4.15Å; L578-L769 HydrophobicContact CG-CD1 4.47Å; W750-L769 HydrophobicContact CH2-CD1 4.18Å; W750-L769 HydrophobicContact CZ2-CD1 3.65Å; L769-K771 PolarHBondContact O-N 2.89Å; L769-F798 HydrophobicContact CD1-CE2 4.43Å; L769-G800 WeakPolarHBondContact CD2-O 3.48Å; L769-R802 PolarHBondContact O-NH2 3.48Å |
| 770 | P | 85.7 | Confident | 88.3 | Confident | 22 Ų | 22 | 45.4 Ų | 45.4 | 14% | 0.143 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -51.7 | 142 | 173.8 | -27.1 | 34.9 | 0 | 0 | 0 | 112.3 | D747 W750 M772 W776 R802 | D747-P770 HydrophobicContact CB-CB 4.19Å; W750-P770 HydrophobicContact CB-CG 4.43Å; W750-P770 HydrophobicContact CD2-CG 4.18Å; W750-P770 HydrophobicContact CG-CG 3.84Å; P770-M772 PolarHBondContact O-N 3.36Å; P770-W776 HydrophobicContact CB-CH2 4.48Å; P770-W776 HydrophobicContact CB-CZ2 4.16Å; P770-W776 HydrophobicContact CG-CH2 4.39Å; P770-W776 HydrophobicContact CG-CZ2 4.24Å; P770-R802 PolarHBondContact O-NH1 3.05Å |
| 771 | K | 76.5 | Confident | 88.3 | Confident | 96 Ų | 96 | 41.1 Ų | 41.1 | 42% | 0.417 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -76.6 | 61.3 | -177.1 | -67.1 | -165.5 | -175.4 | -168 | 0 | 112.3 | L769 E911 | L769-K771 PolarHBondContact O-N 2.89Å; K771-E911 WeakPolarHBondContact CD-OE1 3.36Å; K771-E911 IonicContact NZ-OE1 3.44Å; K771-E911 PolarHBondContact NZ-OE1 3.2Å |
| 772 | M | 76.7 | Confident | 88.4 | Confident | 20 Ų | 20 | 40.5 Ų | 40.5 | 10% | 0.099 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -143.4 | 137 | -173.5 | -171 | 171.8 | 85.8 | 0 | 0 | 112.3 | H596 R743 D747 P770 A774 W776 | H596-M772 WeakPolarHBondContact CD2-CE 3.49Å; R743-M772 HydrophobicContact CB-CE 4.42Å; R743-M772 HydrophobicContact CB-CG 4.49Å; R743-M772 HydrophobicContact CB-SD 3.52Å; R743-M772 VanDerWaalsContact CB-SD 3.52Å; R743-M772 HydrophobicContact CG-SD 4.43Å; R743-M772 WeakPolarHBondContact O-CE 3.45Å; R743-M772 VanDerWaalsContact O-SD 3.35Å; D747-M772 HydrophobicContact CB-SD 4.42Å; P770-M772 PolarHBondContact O-N 3.36Å; M772-A774 HydrophobicContact CE-CB 3.4Å; M772-A774 VanDerWaalsContact CE-CB 3.4Å; M772-A774 HydrophobicContact CG-CB 4.28Å; M772-A774 PolarHBondContact O-N 3.33Å; M772-A774 VanDerWaalsContact O-N 3.16Å; M772-W776 HydrophobicContact CE-CH2 3.31Å; M772-W776 HydrophobicContact CE-CZ2 3.48Å; M772-W776 VanDerWaalsContact CE-CZ2 3.48Å; M772-W776 HydrophobicContact CE-CZ3 4.28Å |
| 773 | N | 77.7 | Confident | 88.4 | Confident | 42 Ų | 42 | 37.7 Ų | 37.7 | 23% | 0.225 | 18% | 0.184 | C | C | . | . | trans | -81 | 92.6 | 171.4 | -67.4 | -18.8 | 0 | 0 | 0 | 109.5 | T801 Y805 N829 | N773-T801 HydrophobicContact CB-CG2 4.22Å; N773-Y805 VanDerWaalsContact CG-OH 3.25Å; N773-Y805 WeakPolarHBondContact ND2-CE1 3.37Å; N773-Y805 PolarHBondContact ND2-OH 2.86Å; N773-Y805 WeakPolarHBondContact OD1-CE1 3.37Å; N773-Y805 PolarHBondContact OD1-OH 2.79Å; N773-N829 PolarHBondContact ND2-ND2 2.94Å; N773-N829 PolarHBondContact OD1-ND2 2.99Å | ||
| 774 | A | 82 | Confident | 88.4 | Confident | 6 Ų | 6 | 37.3 Ų | 37.3 | 5% | 0.05 | 18% | 0.182 | C | C | . | . | trans | -147.9 | 158.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | H596 M772 W776 G800 | H596-A774 VanDerWaalsContact NE2-CB 3.3Å; H596-A774 WeakPolarHBondContact NE2-CB 3.17Å; M772-A774 HydrophobicContact CE-CB 3.4Å; M772-A774 VanDerWaalsContact CE-CB 3.4Å; M772-A774 HydrophobicContact CG-CB 4.28Å; M772-A774 PolarHBondContact O-N 3.33Å; M772-A774 VanDerWaalsContact O-N 3.16Å; A774-W776 HydrophobicContact CB-CZ2 4.2Å; A774-W776 PolarHBondContact O-NE1 2.69Å; A774-G800 WeakPolarHBondContact O-CA 3.19Å; A774-G800 PolarHBondContact O-N 2.96Å | ||
| 775 | D | 88.6 | Confident | 88.2 | Confident | 77 Ų | 77 | 36.1 Ų | 36.1 | 41% | 0.412 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 140.3 | 167.4 | -64.2 | -28.9 | 0 | 0 | 0 | 109.7 | A597 L797 S799 | A597-D775 HydrophobicContact CB-CB 3.81Å; A597-D775 VanDerWaalsContact CB-O 3.25Å; A597-D775 WeakPolarHBondContact CB-O 3.48Å; A597-D775 PolarHBondContact N-O 3.04Å; D775-L797 HydrophobicContact CB-CD1 4.35Å; D775-S799 WeakPolarHBondContact OD1-CA 3.47Å; D775-S799 WeakPolarHBondContact OD1-CB 3.34Å; D775-S799 PolarHBondContact OD1-OG 2.84Å |
| 776 | W | 90 | Very high | 87.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 144.5 | -174 | -59.5 | 103.8 | 0 | 0 | 0 | 110.2 | V594 H596 D747 W750 P770 M772 A774 L797 F798 | V594-W776 HydrophobicContact CG1-CB 3.86Å; V594-W776 HydrophobicContact CG1-CD2 4.42Å; V594-W776 HydrophobicContact CG1-CE3 4.09Å; V594-W776 HydrophobicContact CG1-CG 4.37Å; H596-W776 HydrophobicContact CB-CE3 4.34Å; H596-W776 HydrophobicContact CB-CZ3 4.05Å; D747-W776 HydrophobicContact CB-CH2 4.5Å; D747-W776 WeakPolarHBondContact O-CH2 3.27Å; D747-W776 WeakPolarHBondContact O-CZ3 3.23Å; W750-W776 AromaticContact CD1-CE3 3.84Å; W750-W776 AromaticContact CD1-CH2 3.91Å; W750-W776 AromaticContact CD1-CZ3 3.61Å; W750-W776 HydrophobicContact CZ2-CG 4.44Å; W750-W776 AromaticContact NE1-CD2 3.41Å; W750-W776 AromaticContact NE1-CE2 3.7Å; W750-W776 AromaticContact NE1-CE3 3.29Å; W750-W776 VanDerWaalsContact NE1-CE3 3.29Å; W750-W776 AromaticContact NE1-CH2 3.78Å; W750-W776 AromaticContact NE1-CZ2 3.88Å; W750-W776 AromaticContact NE1-CZ3 3.5Å; P770-W776 HydrophobicContact CB-CH2 4.48Å; P770-W776 HydrophobicContact CB-CZ2 4.16Å; P770-W776 HydrophobicContact CG-CH2 4.39Å; P770-W776 HydrophobicContact CG-CZ2 4.24Å; M772-W776 HydrophobicContact CE-CH2 3.31Å; M772-W776 HydrophobicContact CE-CZ2 3.48Å; M772-W776 VanDerWaalsContact CE-CZ2 3.48Å; M772-W776 HydrophobicContact CE-CZ3 4.28Å; A774-W776 HydrophobicContact CB-CZ2 4.2Å; A774-W776 PolarHBondContact O-NE1 2.69Å; W776-L797 WeakPolarHBondContact O-CA 3.06Å; W776-F798 HydrophobicContact CB-CD1 4.13Å; W776-F798 HydrophobicContact CB-CD2 4.29Å; W776-F798 HydrophobicContact CB-CE1 3.6Å; W776-F798 HydrophobicContact CB-CE2 3.78Å; W776-F798 HydrophobicContact CB-CG 4.46Å; W776-F798 HydrophobicContact CB-CZ 3.43Å; W776-F798 VanDerWaalsContact CB-CZ 3.43Å; W776-F798 AromaticContact CD1-CE2 3.82Å; W776-F798 HydrophobicContact CG-CE2 4.07Å; W776-F798 HydrophobicContact CG-CZ 4.03Å; W776-F798 PolarHBondContact N-O 2.66Å; W776-F798 PolarHBondContact O-N 2.8Å |
| 777 | V | 89.5 | Confident | 87.6 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 117.4 | 176.4 | -179.4 | 0 | 0 | 0 | 0 | 107.3 | V594 M595 A597 Y600 F607 P795 L797 | V594-V777 WeakPolarHBondContact CA-O 3.28Å; M595-V777 HydrophobicContact CG-CB 4.41Å; M595-V777 PolarHBondContact N-O 3.08Å; M595-V777 PolarHBondContact O-N 3.46Å; A597-V777 HydrophobicContact CB-CG2 3.94Å; Y600-V777 HydrophobicContact CD1-CB 4.41Å; Y600-V777 HydrophobicContact CD1-CG1 3.97Å; Y600-V777 HydrophobicContact CD1-CG2 3.99Å; Y600-V777 HydrophobicContact CD2-CG1 4.19Å; Y600-V777 HydrophobicContact CE1-CG1 4.27Å; Y600-V777 HydrophobicContact CG-CB 4.2Å; Y600-V777 HydrophobicContact CG-CG1 3.92Å; Y600-V777 HydrophobicContact CG-CG2 4.15Å; F607-V777 HydrophobicContact CE2-CB 4.45Å; F607-V777 HydrophobicContact CE2-CG1 3.81Å; F607-V777 WeakPolarHBondContact CZ-O 3.12Å; V777-P795 HydrophobicContact CG1-CB 3.53Å; V777-P795 HydrophobicContact CG1-CG 4.01Å; V777-L797 HydrophobicContact CG2-CD1 3.67Å |
| 778 | A | 90.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 137.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | M565 S593 V594 M792 P795 Y796 F798 | M565-A778 HydrophobicContact CE-CB 3.59Å; M565-A778 HydrophobicContact SD-CB 3.66Å; S593-A778 WeakPolarHBondContact O-CA 3.28Å; V594-A778 HydrophobicContact CG2-CB 3.75Å; A778-M792 WeakPolarHBondContact O-CE 3.3Å; A778-P795 CarbonylContact O-C 3.53Å; A778-P795 VanDerWaalsContact O-CA 3.27Å; A778-P795 WeakPolarHBondContact O-CA 3.38Å; A778-P795 WeakPolarHBondContact O-CB 3.43Å; A778-Y796 PolarHBondContact N-O 3.19Å; A778-Y796 PolarHBondContact O-N 3.48Å; A778-F798 HydrophobicContact CB-CE1 4.07Å |
| 779 | G | 89.9 | Confident | 87.4 | Confident | 7 Ų | 7 | 26.3 Ų | 26.3 | 7% | 0.072 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | S593 | S593-G779 PolarHBondContact N-O 3.2Å; S593-G779 PolarHBondContact O-N 3.12Å; S593-G779 VanDerWaalsContact O-O 3.12Å; S593-G779 PolarHBondContact OG-O 3.22Å |
| 780 | A | 92.2 | Very high | 87.6 | Confident | 8 Ų | 8 | 26.4 Ų | 26.4 | 7% | 0.066 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 148.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V563 A591 F592 M792 | V563-A780 HydrophobicContact CG1-CB 4.08Å; A591-A780 VanDerWaalsContact O-CA 3.25Å; A591-A780 WeakPolarHBondContact O-CA 3.5Å; F592-A780 HydrophobicContact CD1-CB 3.79Å; F592-A780 HydrophobicContact CE1-CB 4.08Å; A780-M792 HydrophobicContact CB-SD 4.33Å; A780-M792 VanDerWaalsContact O-CB 3.23Å; A780-M792 WeakPolarHBondContact O-CB 3.28Å; A780-M792 PolarHBondContact O-N 3.07Å |
| 781 | F | 92.1 | Very high | 87.7 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 153.9 | 168.8 | 67.1 | -86.2 | 0 | 0 | 0 | 109.6 | H135 I152 I191 I590 A591 V783 L789 A790 L791 | H135-F781 AromaticContact CE1-CE1 3.92Å; H135-F781 AromaticContact ND1-CE1 3.45Å; H135-F781 WeakPolarHBondContact ND1-CE1 3.43Å; I152-F781 HydrophobicContact CD1-CD2 4.38Å; I152-F781 HydrophobicContact CD1-CE2 3.54Å; I152-F781 HydrophobicContact CD1-CZ 3.62Å; I152-F781 HydrophobicContact CG1-CE2 4.45Å; I191-F781 HydrophobicContact CD1-CE2 3.65Å; I191-F781 HydrophobicContact CD1-CZ 4.07Å; I590-F781 WeakPolarHBondContact CA-O 3.37Å; A591-F781 HydrophobicContact CB-CD1 4.05Å; A591-F781 HydrophobicContact CB-CD2 4.4Å; A591-F781 HydrophobicContact CB-CE1 3.49Å; A591-F781 VanDerWaalsContact CB-CE1 3.49Å; A591-F781 HydrophobicContact CB-CE2 3.91Å; A591-F781 HydrophobicContact CB-CG 4.47Å; A591-F781 HydrophobicContact CB-CZ 3.43Å; A591-F781 VanDerWaalsContact CB-CZ 3.43Å; A591-F781 PolarHBondContact N-O 2.85Å; A591-F781 PolarHBondContact O-N 3.43Å; A591-F781 VanDerWaalsContact O-N 3.07Å; F781-V783 HydrophobicContact CD2-CG2 4.12Å; F781-V783 HydrophobicContact CE2-CG2 4.12Å; F781-L789 HydrophobicContact CB-CD1 4.06Å; F781-L789 HydrophobicContact CD2-CD1 3.51Å; F781-L789 HydrophobicContact CE2-CD1 4.35Å; F781-L789 HydrophobicContact CG-CD1 4.16Å; F781-A790 CarbonylContact C-O 3.41Å; F781-A790 WeakPolarHBondContact CA-O 3.31Å; F781-A790 WeakPolarHBondContact CB-O 3.47Å; F781-L791 HydrophobicContact CB-CD2 3.66Å |
| 782 | S | 93.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136.7 | -179 | 174.3 | 0 | 0 | 0 | 0 | 109.3 | N561 V563 S588 Y589 L789 A790 | N561-S782 WeakPolarHBondContact ND2-CB 3.43Å; N561-S782 PolarHBondContact ND2-OG 3.07Å; V563-S782 VanDerWaalsContact CG2-CB 3.45Å; S588-S782 WeakPolarHBondContact CB-OG 3.43Å; S588-S782 PolarHBondContact OG-OG 2.82Å; Y589-S782 CarbonylContact O-C 3.6Å; Y589-S782 VanDerWaalsContact O-CA 3.29Å; Y589-S782 WeakPolarHBondContact O-CA 3.35Å; S782-L789 CarbonylContact O-C 3.53Å; S782-L789 WeakPolarHBondContact O-CA 3.46Å; S782-A790 PolarHBondContact N-O 2.81Å; S782-A790 PolarHBondContact O-N 2.82Å |
| 783 | V | 92.5 | Very high | 88.4 | Confident | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.03 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 117.4 | 173.2 | -177.7 | 0 | 0 | 0 | 0 | 108 | M154 P160 G189 I191 Y589 F781 L789 | M154-V783 HydrophobicContact CE-CG1 4.34Å; P160-V783 HydrophobicContact CB-CG1 3.84Å; P160-V783 HydrophobicContact CG-CG1 3.82Å; G189-V783 WeakPolarHBondContact O-CG1 3.49Å; I191-V783 HydrophobicContact CD1-CG2 3.99Å; I191-V783 HydrophobicContact CG1-CG2 4.4Å; Y589-V783 PolarHBondContact N-O 2.84Å; Y589-V783 PolarHBondContact O-N 3.35Å; F781-V783 HydrophobicContact CD2-CG2 4.12Å; F781-V783 HydrophobicContact CE2-CG2 4.12Å; V783-L789 HydrophobicContact CG2-CD1 3.9Å |
| 784 | D | 91.5 | Very high | 88.4 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.043 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 146.8 | 174.6 | -171.1 | 65.4 | 0 | 0 | 0 | 109.7 | P160 K585 E786 L787 G788 | P160-D784 WeakPolarHBondContact CD-O 3.21Å; K585-D784 IonicContact NZ-OD1 3.35Å; K585-D784 IonicContact NZ-OD2 3.94Å; K585-D784 PolarHBondContact NZ-OD2 2.92Å; D784-E786 VanDerWaalsContact C-N 3.28Å; D784-E786 PolarHBondContact O-N 2.97Å; D784-E786 WeakPolarHBondContact OD2-CB 3.41Å; D784-E786 PolarHBondContact OD2-N 3.18Å; D784-E786 VanDerWaalsContact OD2-N 3.15Å; D784-L787 HydrophobicContact CB-CB 4Å; D784-L787 PolarHBondContact OD2-N 3.4Å; D784-G788 PolarHBondContact N-O 2.93Å; D784-G788 VanDerWaalsContact O-CA 3.24Å; D784-G788 WeakPolarHBondContact O-CA 3.27Å; D784-G788 PolarHBondContact O-N 2.83Å |
| 785 | S | 88.8 | Confident | 88.5 | Confident | 73 Ų | 73 | 33.7 Ų | 33.7 | 51% | 0.51 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -30.3 | 177.7 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 786 | E | 87.1 | Confident | 88.5 | Confident | 122 Ų | 122 | 34.4 Ų | 34.4 | 57% | 0.57 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -48.2 | -178.4 | -61.8 | 176.8 | 162.3 | 0 | 0 | 112.3 | R527 K585 D784 | R527-E786 PolarHBondContact NH1-O 3.08Å; K585-E786 IonicContact NZ-OE2 3.73Å; K585-E786 PolarHBondContact NZ-OE2 2.86Å; D784-E786 VanDerWaalsContact C-N 3.28Å; D784-E786 PolarHBondContact O-N 2.97Å; D784-E786 WeakPolarHBondContact OD2-CB 3.41Å; D784-E786 PolarHBondContact OD2-N 3.18Å; D784-E786 VanDerWaalsContact OD2-N 3.15Å |
| 787 | L | 85.9 | Confident | 88.5 | Confident | 50 Ų | 50 | 38.3 Ų | 38.3 | 26% | 0.262 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -13.3 | -177.3 | -61.9 | -175.2 | 0 | 0 | 0 | 113.6 | N561 K585 D784 | N561-L787 HydrophobicContact CB-CD1 3.9Å; K585-L787 HydrophobicContact CB-CD1 4.4Å; K585-L787 HydrophobicContact CD-CD1 3.42Å; K585-L787 VanDerWaalsContact CD-CD1 3.42Å; K585-L787 HydrophobicContact CD-CG 3.91Å; K585-L787 HydrophobicContact CG-CD1 4.48Å; D784-L787 HydrophobicContact CB-CB 4Å; D784-L787 PolarHBondContact OD2-N 3.4Å |
| 788 | G | 88 | Confident | 88.6 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 76.6 | -157.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L158 D784 | L158-G788 CarbonylContact O-C 3.59Å; L158-G788 WeakPolarHBondContact O-CA 3.29Å; D784-G788 PolarHBondContact N-O 2.93Å; D784-G788 VanDerWaalsContact O-CA 3.24Å; D784-G788 WeakPolarHBondContact O-CA 3.27Å; D784-G788 PolarHBondContact O-N 2.83Å |
| 789 | L | 89.8 | Confident | 88.5 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 126.2 | 176.1 | 173 | 68.1 | 0 | 0 | 0 | 111.1 | M154 L158 Y557 I613 F781 S782 V783 L791 | M154-L789 HydrophobicContact CE-CB 3.49Å; M154-L789 VanDerWaalsContact CE-CB 3.49Å; M154-L789 HydrophobicContact SD-CB 3.32Å; M154-L789 WeakPolarHBondContact SD-CB 3.22Å; M154-L789 HydrophobicContact SD-CD2 3.49Å; M154-L789 WeakPolarHBondContact SD-CD2 3.43Å; M154-L789 HydrophobicContact SD-CG 4Å; L158-L789 PolarHBondContact O-N 2.95Å; Y557-L789 WeakPolarHBondContact CE2-O 3.45Å; I613-L789 HydrophobicContact CD1-CD2 3.57Å; I613-L789 HydrophobicContact CD1-CG 4.3Å; I613-L789 HydrophobicContact CG1-CD2 4.46Å; F781-L789 HydrophobicContact CB-CD1 4.06Å; F781-L789 HydrophobicContact CD2-CD1 3.51Å; F781-L789 HydrophobicContact CE2-CD1 4.35Å; F781-L789 HydrophobicContact CG-CD1 4.16Å; S782-L789 CarbonylContact O-C 3.53Å; S782-L789 WeakPolarHBondContact O-CA 3.46Å; V783-L789 HydrophobicContact CG2-CD1 3.9Å; L789-L791 HydrophobicContact CD1-CD2 4.22Å; L789-L791 HydrophobicContact CG-CD2 4.38Å |
| 790 | A | 90.1 | Very high | 88.3 | Confident | 8 Ų | 8 | 40 Ų | 40 | 7% | 0.066 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 138.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | N561 V563 F781 S782 | N561-A790 HydrophobicContact CB-CB 3.64Å; V563-A790 HydrophobicContact CG2-CB 3.85Å; F781-A790 CarbonylContact C-O 3.41Å; F781-A790 WeakPolarHBondContact CA-O 3.31Å; F781-A790 WeakPolarHBondContact CB-O 3.47Å; S782-A790 PolarHBondContact N-O 2.81Å; S782-A790 PolarHBondContact O-N 2.82Å |
| 791 | L | 89.2 | Confident | 88 | Confident | 21 Ų | 21 | 42.1 Ų | 42.1 | 11% | 0.11 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 151.7 | 178.8 | -59.2 | -177.2 | 0 | 0 | 0 | 110.7 | L608 I613 F781 L789 Q793 | L608-L791 HydrophobicContact CB-CD2 3.99Å; I613-L791 HydrophobicContact CD1-CD1 3.45Å; I613-L791 VanDerWaalsContact CD1-CD1 3.45Å; I613-L791 HydrophobicContact CD1-CD2 4.08Å; I613-L791 HydrophobicContact CD1-CG 3.75Å; I613-L791 HydrophobicContact CG1-CD1 4.36Å; F781-L791 HydrophobicContact CB-CD2 3.66Å; L789-L791 HydrophobicContact CD1-CD2 4.22Å; L789-L791 HydrophobicContact CG-CD2 4.38Å; L791-Q793 PolarHBondContact O-N 2.9Å |
| 792 | M | 88.3 | Confident | 87.8 | Confident | 27 Ų | 27 | 42 Ų | 42 | 13% | 0.133 | 22% | 0.218 | C | C | . | . | trans | -69.9 | 122.4 | 164.5 | -170.2 | 167.4 | 79.5 | 0 | 0 | 109.5 | V563 M565 A778 A780 Q794 | V563-M792 HydrophobicContact CG1-CB 4.23Å; M565-M792 HydrophobicContact CB-SD 3.73Å; A778-M792 WeakPolarHBondContact O-CE 3.3Å; A780-M792 HydrophobicContact CB-SD 4.33Å; A780-M792 VanDerWaalsContact O-CB 3.23Å; A780-M792 WeakPolarHBondContact O-CB 3.28Å; A780-M792 PolarHBondContact O-N 3.07Å; M792-Q794 VanDerWaalsContact C-N 3.31Å; M792-Q794 WeakPolarHBondContact CE-O 3.28Å; M792-Q794 PolarHBondContact O-N 3.41Å | ||
| 793 | Q | 78 | Confident | 87.6 | Confident | 112 Ų | 112 | 47.7 Ų | 47.7 | 52% | 0.523 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -57.7 | -39.8 | -171.5 | -71.6 | -173 | -19.3 | 0 | 0 | 113.8 | T558 H559 L791 | T558-Q793 PolarHBondContact OG1-NE2 3.28Å; H559-Q793 PolarHBondContact CE1-NE2 2.9Å; L791-Q793 PolarHBondContact O-N 2.9Å |
| 794 | Q | 78.5 | Confident | 87.6 | Confident | 141 Ų | 141 | 48 Ų | 48 | 66% | 0.659 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -133.3 | 132.6 | 176.3 | -70.9 | -176.3 | -13.2 | 0 | 0 | 109.2 | M792 | M792-Q794 VanDerWaalsContact C-N 3.31Å; M792-Q794 WeakPolarHBondContact CE-O 3.28Å; M792-Q794 PolarHBondContact O-N 3.41Å |
| 795 | P | 84.3 | Confident | 87.5 | Confident | 38 Ų | 38 | 47.9 Ų | 47.9 | 25% | 0.247 | 24% | 0.239 | C | C | . | . | trans | -65.8 | 141.4 | 175.6 | 30.4 | -35.4 | 0 | 0 | 0 | 110.6 | Y600 V777 A778 L797 | Y600-P795 HydrophobicContact CE1-CG 4.14Å; Y600-P795 HydrophobicContact CE2-CG 4.45Å; Y600-P795 WeakPolarHBondContact OH-CG 3.35Å; V777-P795 HydrophobicContact CG1-CB 3.53Å; V777-P795 HydrophobicContact CG1-CG 4.01Å; A778-P795 CarbonylContact O-C 3.53Å; A778-P795 VanDerWaalsContact O-CA 3.27Å; A778-P795 WeakPolarHBondContact O-CA 3.38Å; A778-P795 WeakPolarHBondContact O-CB 3.43Å; P795-L797 PolarHBondContact O-N 3.33Å | ||
| 796 | Y | 89.2 | Confident | 87.6 | Confident | 92 Ų | 92 | 44.4 Ų | 44.4 | 36% | 0.361 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 111.4 | -173.5 | -173.5 | -94.2 | 0 | 0 | 0 | 110.2 | V567 A778 F798 | V567-Y796 HydrophobicContact CB-CD1 4.29Å; V567-Y796 HydrophobicContact CB-CE1 3.68Å; V567-Y796 HydrophobicContact CG2-CD1 3.71Å; V567-Y796 HydrophobicContact CG2-CE1 3.64Å; A778-Y796 PolarHBondContact N-O 3.19Å; A778-Y796 PolarHBondContact O-N 3.48Å; Y796-F798 HydrophobicContact CD1-CB 4.14Å; Y796-F798 AromaticContact CD1-CD1 3.8Å; Y796-F798 HydrophobicContact CD1-CD1 3.8Å; Y796-F798 HydrophobicContact CD1-CG 4.35Å; Y796-F798 HydrophobicContact CE1-CB 3.74Å; Y796-F798 HydrophobicContact CE1-CD1 4.15Å; Y796-F798 HydrophobicContact CE1-CG 4.25Å |
| 797 | L | 89.2 | Confident | 87.7 | Confident | 82 Ų | 82 | 39.6 Ų | 39.6 | 43% | 0.429 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.7 | 176.1 | -179.1 | 72.9 | 0 | 0 | 0 | 110.2 | A597 D775 W776 V777 P795 | A597-L797 HydrophobicContact CB-CD1 4.09Å; D775-L797 HydrophobicContact CB-CD1 4.35Å; W776-L797 WeakPolarHBondContact O-CA 3.06Å; V777-L797 HydrophobicContact CG2-CD1 3.67Å; P795-L797 PolarHBondContact O-N 3.33Å |
| 798 | F | 90.8 | Very high | 88 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 6% | 0.061 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 149.9 | 174.4 | 67.2 | -79.5 | 0 | 0 | 0 | 111.4 | V567 L578 V594 W750 L769 W776 A778 Y796 | V567-F798 HydrophobicContact CG1-CD2 4.46Å; V567-F798 HydrophobicContact CG2-CD1 4.37Å; V567-F798 HydrophobicContact CG2-CE1 4.47Å; L578-F798 HydrophobicContact CD1-CE2 3.68Å; L578-F798 HydrophobicContact CD1-CZ 4.25Å; V594-F798 HydrophobicContact CG1-CE1 4.34Å; V594-F798 HydrophobicContact CG1-CZ 4.2Å; W750-F798 HydrophobicContact CH2-CE2 4.37Å; W750-F798 AromaticContact CH2-CZ 3.9Å; W750-F798 HydrophobicContact CH2-CZ 3.9Å; W750-F798 HydrophobicContact CZ2-CE2 4.03Å; W750-F798 AromaticContact CZ2-CZ 3.59Å; W750-F798 HydrophobicContact CZ2-CZ 3.59Å; L769-F798 HydrophobicContact CD1-CE2 4.43Å; W776-F798 HydrophobicContact CB-CD1 4.13Å; W776-F798 HydrophobicContact CB-CD2 4.29Å; W776-F798 HydrophobicContact CB-CE1 3.6Å; W776-F798 HydrophobicContact CB-CE2 3.78Å; W776-F798 HydrophobicContact CB-CG 4.46Å; W776-F798 HydrophobicContact CB-CZ 3.43Å; W776-F798 VanDerWaalsContact CB-CZ 3.43Å; W776-F798 AromaticContact CD1-CE2 3.82Å; W776-F798 HydrophobicContact CG-CE2 4.07Å; W776-F798 HydrophobicContact CG-CZ 4.03Å; W776-F798 PolarHBondContact N-O 2.66Å; W776-F798 PolarHBondContact O-N 2.8Å; A778-F798 HydrophobicContact CB-CE1 4.07Å; Y796-F798 HydrophobicContact CD1-CB 4.14Å; Y796-F798 AromaticContact CD1-CD1 3.8Å; Y796-F798 HydrophobicContact CD1-CD1 3.8Å; Y796-F798 HydrophobicContact CD1-CG 4.35Å; Y796-F798 HydrophobicContact CE1-CB 3.74Å; Y796-F798 HydrophobicContact CE1-CD1 4.15Å; Y796-F798 HydrophobicContact CE1-CG 4.25Å |
| 799 | S | 89.4 | Confident | 88 | Confident | 32 Ų | 32 | 38.5 Ų | 38.5 | 22% | 0.224 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 134 | 176.6 | -163.4 | 0 | 0 | 0 | 0 | 111.4 | R569 D775 T801 | R569-S799 PolarHBondContact NE-O 2.89Å; R569-S799 PolarHBondContact NH1-O 3.03Å; R569-S799 PolarHBondContact NH2-O 2.94Å; D775-S799 WeakPolarHBondContact OD1-CA 3.47Å; D775-S799 WeakPolarHBondContact OD1-CB 3.34Å; D775-S799 PolarHBondContact OD1-OG 2.84Å; S799-T801 VanDerWaalsContact C-N 3.33Å; S799-T801 WeakPolarHBondContact OG-CG2 2.94Å; S799-T801 PolarHBondContact OG-N 2.81Å; S799-T801 PolarHBondContact OG-OG1 2.85Å |
| 800 | G | 86.2 | Confident | 88.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -89.2 | 5.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L769 A774 R802 | L769-G800 WeakPolarHBondContact CD2-O 3.48Å; A774-G800 WeakPolarHBondContact O-CA 3.19Å; A774-G800 PolarHBondContact O-N 2.96Å; G800-R802 PolarHBondContact O-N 2.85Å | ||
| 801 | T | 86.6 | Confident | 88.1 | Confident | 52 Ų | 52 | 39 Ų | 39 | 32% | 0.319 | 19% | 0.19 | S | C | . | . | trans | -65.1 | 122.1 | -178.9 | 58.7 | 0 | 0 | 0 | 0 | 111.1 | R569 Q575 N773 S799 | R569-T801 PolarHBondContact NH2-O 2.91Å; Q575-T801 PolarHBondContact OE1-O 2.99Å; Q575-T801 VanDerWaalsContact OE1-O 3.13Å; N773-T801 HydrophobicContact CB-CG2 4.22Å; S799-T801 VanDerWaalsContact C-N 3.33Å; S799-T801 WeakPolarHBondContact OG-CG2 2.94Å; S799-T801 PolarHBondContact OG-N 2.81Å; S799-T801 PolarHBondContact OG-OG1 2.85Å | ||
| 802 | R | 87.8 | Confident | 88.1 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | trans | -81.1 | 146.2 | 169.4 | -67.1 | 169.8 | 176.3 | 76.4 | -4.8 | 109.6 | Q575 D576 L769 P770 G800 Y805 N829 | Q575-R802 HydrophobicContact CB-CG 4.41Å; D576-R802 IonicContact OD1-CZ 3.72Å; D576-R802 IonicContact OD1-NE 3.89Å; D576-R802 PolarHBondContact OD1-NE 2.98Å; D576-R802 IonicContact OD1-NH2 3.91Å; D576-R802 PolarHBondContact OD1-NH2 3.19Å; L769-R802 PolarHBondContact O-NH2 3.48Å; P770-R802 PolarHBondContact O-NH1 3.05Å; G800-R802 PolarHBondContact O-N 2.85Å; R802-Y805 HydrophobicContact CB-CD1 3.78Å; R802-Y805 HydrophobicContact CB-CG 4.21Å; R802-N829 WeakPolarHBondContact O-CB 3.45Å; R802-N829 PolarHBondContact O-ND2 3.48Å | ||
| 803 | R | 89 | Confident | 88.2 | Confident | 119 Ų | 119 | 46.8 Ų | 46.8 | 45% | 0.449 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -66.7 | -44.5 | 176.5 | -67.1 | -179.6 | 178.8 | 173.4 | -0.2 | 112.1 | N829 I906 | R803-N829 PolarHBondContact O-N 3.33Å; R803-I906 HydrophobicContact CB-CG2 4.24Å |
| 804 | F | 90.8 | Very high | 88.9 | Confident | 12 Ų | 12 | 41.6 Ų | 41.6 | 5% | 0.053 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 128.5 | 178.2 | 173.2 | -103.2 | 0 | 0 | 0 | 108.9 | L826 F827 I834 A836 L876 A902 S904 | F804-L826 HydrophobicContact CE2-CD2 4.36Å; F804-L826 HydrophobicContact CZ-CD2 4.15Å; F804-F827 WeakPolarHBondContact CA-O 3.43Å; F804-I834 HydrophobicContact CB-CD1 4.2Å; F804-I834 HydrophobicContact CD2-CD1 4.28Å; F804-I834 HydrophobicContact CD2-CG2 4.49Å; F804-A836 HydrophobicContact CE2-CB 3.63Å; F804-A836 HydrophobicContact CZ-CB 3.59Å; F804-L876 HydrophobicContact CD2-CD1 4.47Å; F804-L876 HydrophobicContact CE2-CD1 3.9Å; F804-A902 HydrophobicContact CE1-CB 4.09Å; F804-A902 HydrophobicContact CZ-CB 3.89Å; F804-S904 WeakPolarHBondContact CD1-OG 3.24Å |
| 805 | Y | 90 | Very high | 89.4 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 2% | 0.024 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 169.3 | 174.1 | 75.1 | -76.2 | 0 | 0 | 0 | 110.6 | N773 R802 T807 F827 | N773-Y805 VanDerWaalsContact CG-OH 3.25Å; N773-Y805 WeakPolarHBondContact ND2-CE1 3.37Å; N773-Y805 PolarHBondContact ND2-OH 2.86Å; N773-Y805 WeakPolarHBondContact OD1-CE1 3.37Å; N773-Y805 PolarHBondContact OD1-OH 2.79Å; R802-Y805 HydrophobicContact CB-CD1 3.78Å; R802-Y805 HydrophobicContact CB-CG 4.21Å; Y805-T807 HydrophobicContact CD2-CG2 4.23Å; Y805-T807 HydrophobicContact CE2-CG2 3.73Å; Y805-F827 HydrophobicContact CD1-CB 3.78Å; Y805-F827 HydrophobicContact CD1-CD2 4.47Å; Y805-F827 HydrophobicContact CD1-CG 4.4Å; Y805-F827 HydrophobicContact CD2-CD2 4.18Å; Y805-F827 HydrophobicContact CE1-CB 3.38Å; Y805-F827 HydrophobicContact CE1-CD1 4.5Å; Y805-F827 AromaticContact CE1-CD2 3.91Å; Y805-F827 HydrophobicContact CE1-CD2 3.91Å; Y805-F827 AromaticContact CE1-CG 3.69Å; Y805-F827 HydrophobicContact CE1-CG 3.69Å; Y805-F827 AromaticContact CE2-CD2 3.6Å; Y805-F827 HydrophobicContact CE2-CD2 3.6Å; Y805-F827 HydrophobicContact CE2-CE2 4.05Å; Y805-F827 HydrophobicContact CE2-CG 4.22Å; Y805-F827 AromaticContact CZ-CD2 3.42Å; Y805-F827 VanDerWaalsContact CZ-CD2 3.42Å; Y805-F827 AromaticContact CZ-CG 3.57Å; Y805-F827 PolarHBondContact N-O 3.45Å; Y805-F827 PolarHBondContact O-N 2.99Å |
| 806 | M | 90.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 147.7 | 178.5 | -177.1 | 171.5 | 61 | 0 | 0 | 109.7 | V808 A824 C825 L826 V838 I900 A902 N909 | M806-V808 HydrophobicContact CE-CG2 3.88Å; M806-V808 HydrophobicContact CG-CG2 4.12Å; M806-V808 HydrophobicContact SD-CG2 4.15Å; M806-A824 HydrophobicContact CG-CB 4.22Å; M806-A824 HydrophobicContact SD-CB 3.67Å; M806-C825 CarbonylContact C-O 3.53Å; M806-C825 VanDerWaalsContact CA-O 3.25Å; M806-C825 WeakPolarHBondContact CA-O 3.44Å; M806-L826 HydrophobicContact CB-CD2 3.77Å; M806-L826 HydrophobicContact CG-CD2 3.77Å; M806-L826 HydrophobicContact SD-CD2 3.79Å; M806-V838 HydrophobicContact CE-CG1 4.37Å; M806-V838 HydrophobicContact SD-CG1 3.73Å; M806-I900 HydrophobicContact CE-CB 4.24Å; M806-I900 HydrophobicContact CE-CG2 3.78Å; M806-I900 HydrophobicContact SD-CG2 4.23Å; M806-A902 HydrophobicContact CB-CB 4.17Å; M806-A902 HydrophobicContact CE-CB 3.96Å; M806-A902 HydrophobicContact SD-CB 3.84Å; M806-N909 PolarHBondContact N-ND2 2.92Å; M806-N909 PolarHBondContact O-ND2 3.04Å |
| 807 | T | 90.5 | Very high | 89.6 | Confident | 21 Ų | 21 | 34.8 Ų | 34.8 | 13% | 0.129 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 140 | 163.5 | 60 | 0 | 0 | 0 | 0 | 108.5 | S259 Y805 A824 C825 F827 | S259-T807 PolarHBondContact O-OG1 2.87Å; Y805-T807 HydrophobicContact CD2-CG2 4.23Å; Y805-T807 HydrophobicContact CE2-CG2 3.73Å; T807-A824 CarbonylContact O-C 3.54Å; T807-A824 WeakPolarHBondContact O-CA 3.41Å; T807-C825 PolarHBondContact N-O 3.23Å; T807-C825 PolarHBondContact O-N 3.47Å; T807-C825 WeakPolarHBondContact OG1-CB 3.19Å; T807-F827 HydrophobicContact CG2-CE2 3.96Å |
| 808 | V | 90.7 | Very high | 89.6 | Confident | 13 Ų | 13 | 31 Ų | 31 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127.3 | 179.7 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | M806 L810 V822 R823 A824 I900 E911 | M806-V808 HydrophobicContact CE-CG2 3.88Å; M806-V808 HydrophobicContact CG-CG2 4.12Å; M806-V808 HydrophobicContact SD-CG2 4.15Å; V808-L810 HydrophobicContact CG1-CD2 3.7Å; V808-V822 HydrophobicContact CG1-CG1 3.28Å; V808-R823 WeakPolarHBondContact CA-O 3.2Å; V808-A824 HydrophobicContact CG2-CB 4.47Å; V808-I900 HydrophobicContact CG1-CD1 4.03Å; V808-E911 WeakPolarHBondContact CB-OE2 3.37Å; V808-E911 HydrophobicContact CG2-CB 4.24Å; V808-E911 HydrophobicContact CG2-CG 4.37Å; V808-E911 WeakPolarHBondContact CG2-OE2 3.49Å; V808-E911 PolarHBondContact N-OE2 2.93Å; V808-E911 VanDerWaalsContact N-OE2 3.11Å |
| 809 | E | 89 | Confident | 89.6 | Confident | 14 Ų | 14 | 30.4 Ų | 30.4 | 7% | 0.065 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 129.1 | 177.5 | -60.1 | 178.8 | 119.4 | 0 | 0 | 110.6 | R823 Y883 Y1535 Y1536 | E809-R823 HydrophobicContact CB-CB 4.33Å; E809-R823 PolarHBondContact N-O 2.79Å; E809-R823 PolarHBondContact O-N 3.16Å; E809-R823 IonicContact OE1-NH2 2.76Å; E809-R823 PolarHBondContact OE1-NH2 3.5Å; E809-R823 IonicContact OE2-CZ 2.71Å; E809-R823 VanDerWaalsContact OE2-CZ 3.28Å; E809-R823 IonicContact OE2-NE 3.65Å; E809-R823 PolarHBondContact OE2-NE 3.23Å; E809-R823 IonicContact OE2-NH2 3.7Å; E809-R823 PolarHBondContact OE2-NH2 2.82Å; E809-Y883 PolarHBondContact OE2-OH 3.29Å; E809-Y1535 PolarHBondContact OE1-OH 3.14Å; E809-Y1536 HydrophobicContact CB-CE1 4.2Å |
| 810 | L | 90.6 | Very high | 89.7 | Confident | 14 Ų | 14 | 29 Ų | 29 | 7% | 0.073 | 14% | 0.14 | C | C | . | . | trans | -154.4 | 160.7 | 178.8 | 59.2 | 134.9 | 0 | 0 | 0 | 109.5 | V808 V822 F898 H913 I915 Y1536 | V808-L810 HydrophobicContact CG1-CD2 3.7Å; L810-V822 HydrophobicContact CB-CG2 4.46Å; L810-V822 HydrophobicContact CD2-CG1 4.39Å; L810-F898 HydrophobicContact CD1-CE1 4.43Å; L810-F898 HydrophobicContact CD1-CZ 4.06Å; L810-H913 HydrophobicContact CD1-CB 4.09Å; L810-H913 HydrophobicContact CD2-CB 3.73Å; L810-I915 HydrophobicContact CD1-CD1 3.39Å; L810-I915 HydrophobicContact CD1-CG1 3.24Å; L810-Y1536 VanDerWaalsContact C-CD1 3.45Å; L810-Y1536 WeakPolarHBondContact O-CE1 3.44Å | ||
| 811 | P | 91.7 | Very high | 89.9 | Confident | 6 Ų | 6 | 29 Ų | 29 | 4% | 0.039 | 14% | 0.14 | C | C | . | . | trans | -71.5 | 140 | 175.3 | 30.3 | -34.3 | 0 | 0 | 0 | 111.1 | I820 T1483 Y1536 V1538 | P811-I820 HydrophobicContact CG-CG2 4.02Å; P811-T1483 HydrophobicContact CB-CG2 4.29Å; P811-T1483 HydrophobicContact CG-CG2 4.33Å; P811-Y1536 HydrophobicContact CB-CD2 3.99Å; P811-Y1536 HydrophobicContact CB-CE2 4.42Å; P811-Y1536 HydrophobicContact CB-CG 4.14Å; P811-Y1536 HydrophobicContact CG-CG 4.45Å; P811-V1538 HydrophobicContact CG-CG2 4.4Å | ||
| 812 | E | 88.3 | Confident | 90.1 | Very high | 154 Ų | 154 | 26.5 Ų | 26.5 | 72% | 0.72 | 13% | 0.125 | S | C | * | . | S | Bend | trans | -70.2 | -38.3 | 179 | -65.9 | 178.6 | 177.9 | 0 | 0 | 112.3 | Y916 | E812-Y916 PolarHBondContact O-N 2.71Š|
| 813 | E | 90.8 | Very high | 90.1 | Very high | 57 Ų | 57 | 27 Ų | 27 | 27% | 0.266 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 139.7 | 172.1 | -59.6 | -164.1 | 165.6 | 0 | 0 | 110 | Y916 R918 T1483 | E813-Y916 CarbonylContact C-O 3.05Å; E813-Y916 VanDerWaalsContact CA-O 3.3Å; E813-Y916 WeakPolarHBondContact CA-O 3.34Å; E813-Y916 HydrophobicContact CG-CD1 4.24Å; E813-R918 IonicContact OE1-CZ 3.9Å; E813-R918 IonicContact OE1-NE 3.79Å; E813-R918 IonicContact OE1-NH2 3.84Å; E813-R918 PolarHBondContact OE1-NH2 3.2Å; E813-R918 IonicContact OE2-CZ 3.98Å; E813-R918 IonicContact OE2-NE 3.8Å; E813-R918 PolarHBondContact OE2-NE 3.49Å; E813-R918 IonicContact OE2-NH2 2.92Å; E813-R918 PolarHBondContact OE2-NH2 2.74Å; E813-R918 VanDerWaalsContact OE2-NH2 3.11Å; E813-T1483 WeakPolarHBondContact O-CG2 3.44Å |
| 814 | A | 91.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 2% | 0.017 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 167.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | I820 I915 Y916 V917 R918 T1483 | A814-I820 HydrophobicContact CB-CD1 3.51Å; A814-I820 HydrophobicContact CB-CG1 4.4Å; A814-I915 HydrophobicContact CB-CG2 3.81Å; A814-Y916 PolarHBondContact N-O 2.81Å; A814-V917 CarbonylContact O-C 3.59Å; A814-V917 WeakPolarHBondContact O-CA 3.29Å; A814-R918 PolarHBondContact O-N 3.5Å; A814-T1483 HydrophobicContact CB-CG2 4.29Å |
| 815 | V | 89.9 | Confident | 90.1 | Very high | 13 Ų | 13 | 20.8 Ų | 20.8 | 8% | 0.079 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 146.3 | 177.3 | -172.7 | 0 | 0 | 0 | 0 | 109.9 | E818 R918 N920 T1542 | V815-E818 HydrophobicContact CB-CG 4.07Å; V815-E818 PolarHBondContact N-OE2 3.43Å; V815-E818 VanDerWaalsContact O-CB 3.28Å; V815-E818 WeakPolarHBondContact O-CB 3.21Å; V815-E818 WeakPolarHBondContact O-CG 3.4Å; V815-E818 PolarHBondContact O-N 2.94Å; V815-R918 CarbonylContact C-O 3.54Å; V815-R918 WeakPolarHBondContact CA-O 3.43Å; V815-N920 HydrophobicContact CG1-CB 4.15Å; V815-N920 WeakPolarHBondContact CG1-OD1 3.42Å; V815-T1542 HydrophobicContact CB-CG2 3.93Å; V815-T1542 HydrophobicContact CG1-CG2 3.29Å |
| 816 | W | 89.7 | Confident | 90.2 | Very high | 93 Ų | 93 | 20.5 Ų | 20.5 | 35% | 0.352 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 137.3 | -172.8 | 179.8 | 83.2 | 0 | 0 | 0 | 112.4 | E818 K891 V917 R918 M919 N920 | W816-E818 PolarHBondContact O-N 3.4Å; W816-K891 PolarHBondContact NE1-O 3.19Å; W816-K891 VanDerWaalsContact NE1-O 3.14Å; W816-V917 HydrophobicContact CB-CG1 4.01Å; W816-R918 WeakPolarHBondContact CB-O 3.18Å; W816-R918 PolarHBondContact N-O 3.48Å; W816-M919 HydrophobicContact CB-SD 4.18Å; W816-M919 HydrophobicContact CD2-SD 4.37Å; W816-M919 HydrophobicContact CG-SD 4.21Å; W816-N920 PolarHBondContact N-OD1 3.12Å; W816-N920 VanDerWaalsContact O-CG 3.25Å; W816-N920 PolarHBondContact O-ND2 3.22Å; W816-N920 PolarHBondContact O-OD1 2.98Å |
| 817 | G | 87.4 | Confident | 90.2 | Very high | 23 Ų | 23 | 20.8 Ų | 20.8 | 24% | 0.237 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | -6.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N1540 | G817-N1540 PolarHBondContact O-ND2 3.14Š|
| 818 | E | 91 | Very high | 90.3 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | trans | -65.7 | 145.8 | 167.1 | -63.5 | -174.9 | 152.7 | 0 | 0 | 110.3 | V815 W816 S889 T1483 V1538 I1541 T1542 | V815-E818 HydrophobicContact CB-CG 4.07Å; V815-E818 PolarHBondContact N-OE2 3.43Å; V815-E818 VanDerWaalsContact O-CB 3.28Å; V815-E818 WeakPolarHBondContact O-CB 3.21Å; V815-E818 WeakPolarHBondContact O-CG 3.4Å; V815-E818 PolarHBondContact O-N 2.94Å; W816-E818 PolarHBondContact O-N 3.4Å; E818-S889 PolarHBondContact O-OG 3.3Å; E818-T1483 PolarHBondContact OE1-OG1 2.84Å; E818-T1483 WeakPolarHBondContact OE2-CB 3.36Å; E818-T1483 WeakPolarHBondContact OE2-CG2 2.93Å; E818-T1483 PolarHBondContact OE2-OG1 2.86Å; E818-V1538 HydrophobicContact CB-CG1 3.87Å; E818-V1538 HydrophobicContact CG-CG1 4.39Å; E818-I1541 WeakPolarHBondContact OE1-CA 3.4Å; E818-T1542 PolarHBondContact OE1-N 2.77Å; E818-T1542 VanDerWaalsContact OE1-N 3.1Å | ||
| 819 | Q | 90.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 22 Ų | 22 | 1% | 0.014 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 114.4 | 176.5 | -58.3 | -175.4 | 6 | 0 | 0 | 108.2 | I849 S858 A859 V1538 A1539 N1540 I1573 | Q819-I849 HydrophobicContact CB-CD1 3.64Å; Q819-I849 HydrophobicContact CG-CD1 3.62Å; Q819-S858 PolarHBondContact NE2-O 3.38Å; Q819-A859 PolarHBondContact NE2-O 3.36Å; Q819-V1538 CarbonylContact O-C 3.38Å; Q819-V1538 WeakPolarHBondContact O-CA 3.49Å; Q819-A1539 HydrophobicContact CB-CB 4.15Å; Q819-A1539 PolarHBondContact N-O 3.13Å; Q819-A1539 PolarHBondContact O-N 3.33Å; Q819-N1540 HydrophobicContact CG-CB 4.16Å; Q819-I1573 HydrophobicContact CB-CD1 4.31Å |
| 820 | I | 91 | Very high | 90.2 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 121.7 | -173.5 | -54.1 | 172.3 | 0 | 0 | 0 | 108.9 | P811 A814 V822 P887 V888 P890 I915 | P811-I820 HydrophobicContact CG-CG2 4.02Å; A814-I820 HydrophobicContact CB-CD1 3.51Å; A814-I820 HydrophobicContact CB-CG1 4.4Å; I820-V822 PolarHBondContact O-N 3.46Å; I820-P887 CarbonylContact O-C 3.6Å; I820-P887 WeakPolarHBondContact O-CA 3.27Å; I820-V888 HydrophobicContact CB-CG2 4.08Å; I820-V888 PolarHBondContact N-O 2.8Å; I820-V888 PolarHBondContact O-N 2.72Å; I820-P890 HydrophobicContact CD1-CG 4.07Å; I820-I915 HydrophobicContact CD1-CD1 3.83Å |
| 821 | G | 89.5 | Confident | 90.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 100.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | R823 P1537 C1577 | G821-R823 PolarHBondContact O-N 2.71Å; G821-P1537 WeakPolarHBondContact CA-O 3.16Å; G821-P1537 PolarHBondContact N-O 3.07Å; G821-P1537 WeakPolarHBondContact O-CD 3.37Å; G821-P1537 WeakPolarHBondContact O-CG 3.31Å; G821-C1577 VanDerWaalsContact CA-SG 3.51Å |
| 822 | V | 91.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 126.4 | 172.5 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | V808 L810 I820 Y885 M886 V888 F898 I900 | V808-V822 HydrophobicContact CG1-CG1 3.28Å; L810-V822 HydrophobicContact CB-CG2 4.46Å; L810-V822 HydrophobicContact CD2-CG1 4.39Å; I820-V822 PolarHBondContact O-N 3.46Å; V822-Y885 CarbonylContact O-C 3.55Å; V822-Y885 WeakPolarHBondContact O-CA 3.44Å; V822-M886 HydrophobicContact CB-CB 4.29Å; V822-M886 PolarHBondContact N-O 3.25Å; V822-M886 PolarHBondContact O-N 3.1Å; V822-V888 HydrophobicContact CG2-CB 4.43Å; V822-V888 HydrophobicContact CG2-CG1 4.02Å; V822-V888 HydrophobicContact CG2-CG2 3.53Å; V822-F898 HydrophobicContact CG2-CE2 4.13Å; V822-F898 HydrophobicContact CG2-CZ 3.95Å; V822-I900 HydrophobicContact CB-CD1 4.33Å; V822-I900 HydrophobicContact CG1-CD1 3.55Å |
| 823 | R | 88 | Confident | 90.4 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 6% | 0.057 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 104.6 | 179.5 | -52.2 | -170.5 | -61.2 | -166.9 | 5.1 | 109.2 | V808 E809 G821 Y883 Y885 Y1535 P1537 | V808-R823 WeakPolarHBondContact CA-O 3.2Å; E809-R823 HydrophobicContact CB-CB 4.33Å; E809-R823 PolarHBondContact N-O 2.79Å; E809-R823 PolarHBondContact O-N 3.16Å; E809-R823 IonicContact OE1-NH2 2.76Å; E809-R823 PolarHBondContact OE1-NH2 3.5Å; E809-R823 IonicContact OE2-CZ 2.71Å; E809-R823 VanDerWaalsContact OE2-CZ 3.28Å; E809-R823 IonicContact OE2-NE 3.65Å; E809-R823 PolarHBondContact OE2-NE 3.23Å; E809-R823 IonicContact OE2-NH2 3.7Å; E809-R823 PolarHBondContact OE2-NH2 2.82Å; G821-R823 PolarHBondContact O-N 2.71Å; R823-Y883 HydrophobicContact CB-CD1 4.32Å; R823-Y883 HydrophobicContact CB-CE1 4.32Å; R823-Y885 HydrophobicContact CB-CD1 4.49Å; R823-Y885 HydrophobicContact CB-CE1 4.32Å; R823-Y885 HydrophobicContact CG-CD1 3.78Å; R823-Y885 HydrophobicContact CG-CE1 3.49Å; R823-Y885 VanDerWaalsContact CG-CE1 3.49Å; R823-Y1535 PolarHBondContact NH1-O 3.05Å; R823-Y1535 PolarHBondContact NH2-OH 3.41Å; R823-P1537 HydrophobicContact CG-CG 3.87Å |
| 824 | A | 90.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 109.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | M806 T807 V808 Y883 I884 M886 | M806-A824 HydrophobicContact CG-CB 4.22Å; M806-A824 HydrophobicContact SD-CB 3.67Å; T807-A824 CarbonylContact O-C 3.54Å; T807-A824 WeakPolarHBondContact O-CA 3.41Å; V808-A824 HydrophobicContact CG2-CB 4.47Å; A824-Y883 CarbonylContact O-C 3.55Å; A824-Y883 WeakPolarHBondContact O-CA 3.18Å; A824-I884 HydrophobicContact CB-CB 4.42Å; A824-I884 PolarHBondContact N-O 3.45Å; A824-I884 PolarHBondContact O-N 3.22Å; A824-M886 HydrophobicContact CB-CE 4.39Å |
| 825 | C | 90.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 115 | 172.8 | -163 | 0 | 0 | 0 | 0 | 110.2 | M806 T807 F827 Y883 | M806-C825 CarbonylContact C-O 3.53Å; M806-C825 VanDerWaalsContact CA-O 3.25Å; M806-C825 WeakPolarHBondContact CA-O 3.44Å; T807-C825 PolarHBondContact N-O 3.23Å; T807-C825 PolarHBondContact O-N 3.47Å; T807-C825 WeakPolarHBondContact OG1-CB 3.19Å; C825-F827 HydrophobicContact CB-CE2 3.78Å; C825-F827 HydrophobicContact CB-CZ 4.09Å; C825-F827 WeakPolarHBondContact SG-CZ 3.31Å; C825-Y883 HydrophobicContact CB-CD1 3.56Å; C825-Y883 HydrophobicContact CB-CE1 3.48Å; C825-Y883 VanDerWaalsContact CB-CE1 3.48Å |
| 826 | L | 91.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 138.4 | 171.2 | -60.8 | -179.9 | 0 | 0 | 0 | 110.2 | F804 M806 A836 V838 A874 L876 S881 R882 I884 A902 | F804-L826 HydrophobicContact CE2-CD2 4.36Å; F804-L826 HydrophobicContact CZ-CD2 4.15Å; M806-L826 HydrophobicContact CB-CD2 3.77Å; M806-L826 HydrophobicContact CG-CD2 3.77Å; M806-L826 HydrophobicContact SD-CD2 3.79Å; L826-A836 HydrophobicContact CD1-CB 3.8Å; L826-V838 HydrophobicContact CD1-CG2 3.62Å; L826-V838 HydrophobicContact CD2-CG2 3.84Å; L826-V838 HydrophobicContact CG-CG2 4.13Å; L826-A874 HydrophobicContact CD1-CB 3.92Å; L826-L876 HydrophobicContact CB-CD1 3.71Å; L826-L876 HydrophobicContact CB-CD2 3.92Å; L826-L876 HydrophobicContact CB-CG 4.38Å; L826-L876 HydrophobicContact CD1-CD1 3.82Å; L826-L876 HydrophobicContact CG-CD1 4.44Å; L826-S881 CarbonylContact O-C 3.6Å; L826-S881 WeakPolarHBondContact O-CA 3.39Å; L826-S881 WeakPolarHBondContact O-CB 3.49Å; L826-R882 PolarHBondContact N-O 3.38Å; L826-R882 PolarHBondContact O-N 2.94Å; L826-I884 HydrophobicContact CD1-CD1 3.36Å; L826-I884 HydrophobicContact CD1-CG1 4.37Å; L826-I884 HydrophobicContact CG-CD1 3.92Å; L826-A902 HydrophobicContact CD2-CB 3.62Å |
| 827 | F | 90.8 | Very high | 90.8 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127.3 | 177.2 | -66.3 | -88.1 | 0 | 0 | 0 | 110 | S259 G260 F804 Y805 T807 C825 S881 | S259-F827 WeakPolarHBondContact O-CE2 3.17Å; S259-F827 WeakPolarHBondContact O-CZ 3.39Å; G260-F827 WeakPolarHBondContact O-CE1 3.31Å; F804-F827 WeakPolarHBondContact CA-O 3.43Å; Y805-F827 HydrophobicContact CD1-CB 3.78Å; Y805-F827 HydrophobicContact CD1-CD2 4.47Å; Y805-F827 HydrophobicContact CD1-CG 4.4Å; Y805-F827 HydrophobicContact CD2-CD2 4.18Å; Y805-F827 HydrophobicContact CE1-CB 3.38Å; Y805-F827 HydrophobicContact CE1-CD1 4.5Å; Y805-F827 AromaticContact CE1-CD2 3.91Å; Y805-F827 HydrophobicContact CE1-CD2 3.91Å; Y805-F827 AromaticContact CE1-CG 3.69Å; Y805-F827 HydrophobicContact CE1-CG 3.69Å; Y805-F827 AromaticContact CE2-CD2 3.6Å; Y805-F827 HydrophobicContact CE2-CD2 3.6Å; Y805-F827 HydrophobicContact CE2-CE2 4.05Å; Y805-F827 HydrophobicContact CE2-CG 4.22Å; Y805-F827 AromaticContact CZ-CD2 3.42Å; Y805-F827 VanDerWaalsContact CZ-CD2 3.42Å; Y805-F827 AromaticContact CZ-CG 3.57Å; Y805-F827 PolarHBondContact N-O 3.45Å; Y805-F827 PolarHBondContact O-N 2.99Å; T807-F827 HydrophobicContact CG2-CE2 3.96Å; C825-F827 HydrophobicContact CB-CE2 3.78Å; C825-F827 HydrophobicContact CB-CZ 4.09Å; C825-F827 WeakPolarHBondContact SG-CZ 3.31Å; F827-S881 VanDerWaalsContact CD1-CB 3.49Å |
| 828 | N | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 97.9 | 168.4 | 178.2 | 12.3 | 0 | 0 | 0 | 109.1 | W830 Y832 I834 L876 E877 G879 T880 | N828-W830 VanDerWaalsContact C-N 3.31Å; N828-W830 WeakPolarHBondContact OD1-CB 3.31Å; N828-W830 PolarHBondContact OD1-N 3.01Å; N828-Y832 PolarHBondContact ND2-O 3.49Å; N828-Y832 PolarHBondContact OD1-O 3.12Å; N828-I834 HydrophobicContact CB-CD1 4.19Å; N828-I834 VanDerWaalsContact CG-CD1 3.44Å; N828-I834 WeakPolarHBondContact OD1-CD1 3.49Å; N828-L876 HydrophobicContact CB-CB 3.77Å; N828-L876 HydrophobicContact CB-CD1 4.49Å; N828-L876 PolarHBondContact ND2-O 3.46Å; N828-E877 PolarHBondContact ND2-O 3.17Å; N828-G879 CarbonylContact O-C 3.49Å; N828-G879 WeakPolarHBondContact O-CA 3.27Å; N828-G879 PolarHBondContact O-N 2.85Å; N828-T880 PolarHBondContact N-O 2.9Å; N828-T880 PolarHBondContact O-N 3.11Å |
| 829 | N | 88.2 | Confident | 91.2 | Very high | 58 Ų | 58 | 36 Ų | 36 | 31% | 0.31 | 16% | 0.16 | S | C | . | . | trans | -94.2 | 9.7 | 175.4 | -65.2 | -24.4 | 0 | 0 | 0 | 112.1 | N773 R802 R803 | N773-N829 PolarHBondContact ND2-ND2 2.94Å; N773-N829 PolarHBondContact OD1-ND2 2.99Å; R802-N829 WeakPolarHBondContact O-CB 3.45Å; R802-N829 PolarHBondContact O-ND2 3.48Å; R803-N829 PolarHBondContact O-N 3.33Å | ||
| 830 | W | 88.6 | Confident | 91.3 | Very high | 68 Ų | 68 | 36 Ų | 36 | 26% | 0.258 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -86.3 | 160.8 | 175.8 | -162.4 | 28.7 | 0 | 0 | 0 | 111.1 | N828 Y832 I834 A878 F905 I906 | N828-W830 VanDerWaalsContact C-N 3.31Å; N828-W830 WeakPolarHBondContact OD1-CB 3.31Å; N828-W830 PolarHBondContact OD1-N 3.01Å; W830-Y832 HydrophobicContact CD2-CD2 4.11Å; W830-Y832 AromaticContact CE2-CD2 3.83Å; W830-Y832 HydrophobicContact CE3-CD2 4.45Å; W830-Y832 HydrophobicContact CH2-CD2 4.5Å; W830-Y832 HydrophobicContact CZ2-CD2 4.03Å; W830-Y832 PolarHBondContact O-N 3.44Å; W830-I834 HydrophobicContact CB-CD1 4.35Å; W830-I834 HydrophobicContact CE3-CD1 4.22Å; W830-I834 HydrophobicContact CE3-CG1 4.1Å; W830-A878 WeakPolarHBondContact O-CA 3.35Å; W830-A878 VanDerWaalsContact O-CB 3.28Å; W830-A878 WeakPolarHBondContact O-CB 3.31Å; W830-F905 HydrophobicContact CE3-CZ 4.34Å; W830-F905 AromaticContact CH2-CE2 3.65Å; W830-F905 HydrophobicContact CH2-CE2 3.65Å; W830-F905 AromaticContact CH2-CZ 3.84Å; W830-F905 HydrophobicContact CH2-CZ 3.84Å; W830-F905 HydrophobicContact CZ3-CE1 4.17Å; W830-F905 AromaticContact CZ3-CE2 3.49Å; W830-F905 HydrophobicContact CZ3-CE2 3.49Å; W830-F905 VanDerWaalsContact CZ3-CE2 3.49Å; W830-F905 AromaticContact CZ3-CZ 3.26Å; W830-F905 HydrophobicContact CZ3-CZ 3.26Å; W830-I906 HydrophobicContact CB-CD1 4.44Å; W830-I906 HydrophobicContact CD2-CD1 3.73Å; W830-I906 HydrophobicContact CE3-CD1 3.04Å; W830-I906 HydrophobicContact CE3-CG1 3.95Å; W830-I906 HydrophobicContact CG-CD1 4.36Å; W830-I906 HydrophobicContact CH2-CD1 4.12Å; W830-I906 HydrophobicContact CH2-CG1 4.17Å; W830-I906 HydrophobicContact CZ3-CD1 3.21Å; W830-I906 HydrophobicContact CZ3-CG1 3.56Å |
| 831 | N | 90.6 | Very high | 91.4 | Very high | 138 Ų | 138 | 39.1 Ų | 39.1 | 74% | 0.738 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -75.7 | -6.3 | -178.3 | -63.4 | -7.2 | 0 | 0 | 0 | 112.9 | A878 | N831-A878 VanDerWaalsContact C-CB 3.44Å; N831-A878 WeakPolarHBondContact O-CB 3.38Å |
| 832 | Y | 92.2 | Very high | 91.6 | Very high | 149 Ų | 149 | 42.1 Ų | 42.1 | 58% | 0.584 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -118.3 | 156.1 | 179.7 | -63.7 | -81 | 0 | 0 | 0 | 110.2 | N828 W830 | N828-Y832 PolarHBondContact ND2-O 3.49Å; N828-Y832 PolarHBondContact OD1-O 3.12Å; W830-Y832 HydrophobicContact CD2-CD2 4.11Å; W830-Y832 AromaticContact CE2-CD2 3.83Å; W830-Y832 HydrophobicContact CE3-CD2 4.45Å; W830-Y832 HydrophobicContact CH2-CD2 4.5Å; W830-Y832 HydrophobicContact CZ2-CD2 4.03Å; W830-Y832 PolarHBondContact O-N 3.44Å |
| 833 | W | 92.4 | Very high | 91.5 | Very high | 166 Ų | 166 | 42.9 Ų | 42.9 | 63% | 0.629 | 20% | 0.198 | S | C | * | . | trans | -67.3 | 151.7 | 171.4 | 61.9 | -89.6 | 0 | 0 | 0 | 110.6 | L876 | W833-L876 CarbonylContact C-O 3.58Å; W833-L876 VanDerWaalsContact CA-O 3.22Å; W833-L876 WeakPolarHBondContact CA-O 3.44Å; W833-L876 WeakPolarHBondContact CB-O 3.41Å | ||
| 834 | I | 91.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 139.6 | -178.6 | -60.5 | 172.6 | 0 | 0 | 0 | 109.1 | F804 N828 W830 L876 F905 I906 | F804-I834 HydrophobicContact CB-CD1 4.2Å; F804-I834 HydrophobicContact CD2-CD1 4.28Å; F804-I834 HydrophobicContact CD2-CG2 4.49Å; N828-I834 HydrophobicContact CB-CD1 4.19Å; N828-I834 VanDerWaalsContact CG-CD1 3.44Å; N828-I834 WeakPolarHBondContact OD1-CD1 3.49Å; W830-I834 HydrophobicContact CB-CD1 4.35Å; W830-I834 HydrophobicContact CE3-CD1 4.22Å; W830-I834 HydrophobicContact CE3-CG1 4.1Å; I834-L876 PolarHBondContact N-O 2.95Å; I834-L876 PolarHBondContact O-N 3.34Å; I834-F905 HydrophobicContact CG1-CE1 4.43Å; I834-F905 HydrophobicContact CG2-CD1 4.48Å; I834-F905 HydrophobicContact CG2-CE1 4.42Å; I834-I906 HydrophobicContact CD1-CD1 3.27Å; I834-I906 HydrophobicContact CD1-CG1 4.45Å; I834-I906 HydrophobicContact CG1-CD1 3.88Å |
| 835 | E | 92.8 | Very high | 91.5 | Very high | 80 Ų | 80 | 48.1 Ų | 48.1 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 121.5 | 162.9 | -176.6 | 172.4 | -138.2 | 0 | 0 | 108.9 | L873 Y875 | E835-L873 HydrophobicContact CG-CD1 3.6Å; E835-L873 HydrophobicContact CG-CG 4.07Å; E835-L873 VanDerWaalsContact OE1-CD2 3.29Å; E835-L873 WeakPolarHBondContact OE1-CD2 3.38Å; E835-Y875 HydrophobicContact CB-CD1 4.28Å; E835-Y875 HydrophobicContact CB-CE1 4.15Å; E835-Y875 HydrophobicContact CG-CD1 4.23Å; E835-Y875 HydrophobicContact CG-CE1 3.77Å; E835-Y875 WeakPolarHBondContact OE1-CE1 3.14Å; E835-Y875 VanDerWaalsContact OE1-CZ 3.22Å; E835-Y875 PolarHBondContact OE1-OH 3.02Å |
| 836 | A | 92.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126.9 | -177 | 0 | 0 | 0 | 0 | 0 | 110.8 | F804 L826 L873 A874 L876 Y903 | F804-A836 HydrophobicContact CE2-CB 3.63Å; F804-A836 HydrophobicContact CZ-CB 3.59Å; L826-A836 HydrophobicContact CD1-CB 3.8Å; A836-L873 CarbonylContact O-C 3.52Å; A836-A874 PolarHBondContact N-O 3.16Å; A836-A874 PolarHBondContact O-N 3.36Å; A836-L876 HydrophobicContact CB-CD1 3.93Å; A836-Y903 CarbonylContact C-O 3.58Å; A836-Y903 VanDerWaalsContact CA-O 3.27Å; A836-Y903 WeakPolarHBondContact CA-O 3.44Å |
| 837 | L | 94.2 | Very high | 91.4 | Very high | 52 Ų | 52 | 52.2 Ų | 52.2 | 27% | 0.272 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 114.3 | 173 | -177.9 | 74.8 | 0 | 0 | 0 | 109.1 | Q871 L873 A902 Y903 | L837-Q871 HydrophobicContact CD1-CB 3.86Å; L837-Q871 HydrophobicContact CD1-CG 4.4Å; L837-L873 HydrophobicContact CD1-CD1 4.3Å; L837-A902 CarbonylContact O-C 3.54Å; L837-A902 WeakPolarHBondContact O-CA 3.14Å; L837-Y903 HydrophobicContact CD2-CD2 4.5Å; L837-Y903 PolarHBondContact N-O 3.09Å; L837-Y903 PolarHBondContact O-N 2.81Å |
| 838 | V | 93 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.1 | 174.9 | -159.2 | 0 | 0 | 0 | 0 | 110.4 | M806 L826 Q871 S872 I884 M886 I900 C901 A902 | M806-V838 HydrophobicContact CE-CG1 4.37Å; M806-V838 HydrophobicContact SD-CG1 3.73Å; L826-V838 HydrophobicContact CD1-CG2 3.62Å; L826-V838 HydrophobicContact CD2-CG2 3.84Å; L826-V838 HydrophobicContact CG-CG2 4.13Å; V838-Q871 CarbonylContact O-C 3.55Å; V838-Q871 WeakPolarHBondContact O-CA 3.46Å; V838-S872 PolarHBondContact N-O 3.47Å; V838-S872 PolarHBondContact O-N 3.14Å; V838-I884 HydrophobicContact CB-CD1 4.26Å; V838-I884 HydrophobicContact CG2-CD1 3.47Å; V838-I884 VanDerWaalsContact CG2-CD1 3.47Å; V838-M886 HydrophobicContact CB-CE 3.53Å; V838-M886 HydrophobicContact CG1-CE 3.17Å; V838-M886 HydrophobicContact CG1-SD 4.46Å; V838-I900 HydrophobicContact CG1-CG2 3.7Å; V838-C901 CarbonylContact C-O 3.49Å; V838-C901 VanDerWaalsContact CA-O 3.29Å; V838-C901 WeakPolarHBondContact CA-O 3.31Å; V838-C901 WeakPolarHBondContact CG1-O 3.4Å; V838-A902 HydrophobicContact CG1-CB 4.21Å; V838-A902 HydrophobicContact CG2-CB 4.03Å |
| 839 | E | 92.6 | Very high | 91.2 | Very high | 20 Ų | 20 | 52.7 Ų | 52.7 | 9% | 0.093 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 125.1 | -172.8 | -177.8 | 178.9 | -130.3 | 0 | 0 | 110.2 | K841 A869 V870 Q871 I900 C901 Y903 | E839-K841 WeakPolarHBondContact OE2-CE 3.08Å; E839-K841 IonicContact OE2-NZ 2.7Å; E839-K841 PolarHBondContact OE2-NZ 3.39Å; E839-A869 HydrophobicContact CG-CB 4.14Å; E839-A869 WeakPolarHBondContact OE1-CB 3.25Å; E839-V870 WeakPolarHBondContact CA-O 3.19Å; E839-Q871 HydrophobicContact CB-CG 4.07Å; E839-Q871 HydrophobicContact CG-CG 3.87Å; E839-Q871 PolarHBondContact OE1-NE2 3.17Å; E839-I900 WeakPolarHBondContact O-CA 3.41Å; E839-C901 PolarHBondContact N-O 3.46Å; E839-C901 PolarHBondContact O-N 3.43Å; E839-Y903 HydrophobicContact CB-CE2 4.19Å |
| 840 | V | 92.6 | Very high | 91 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 120.7 | 163 | -174.6 | 0 | 0 | 0 | 0 | 107.5 | L846 I848 A869 V870 M886 I900 | V840-L846 HydrophobicContact CG1-CD2 4Å; V840-I848 HydrophobicContact CB-CD1 3.77Å; V840-I848 HydrophobicContact CG1-CD1 3.69Å; V840-I848 HydrophobicContact CG1-CG1 4.2Å; V840-I848 HydrophobicContact CG2-CD1 4.49Å; V840-A869 WeakPolarHBondContact O-CA 3.12Å; V840-V870 PolarHBondContact N-O 2.99Å; V840-V870 PolarHBondContact O-N 2.96Å; V840-M886 HydrophobicContact CG2-CB 4.48Å; V840-M886 HydrophobicContact CG2-CG 4.45Å; V840-M886 HydrophobicContact CG2-SD 3.37Å; V840-M886 WeakPolarHBondContact CG2-SD 3.21Å; V840-I900 HydrophobicContact CG2-CG1 4.29Å |
| 841 | K | 93.5 | Very high | 90.5 | Very high | 66 Ų | 66 | 52.2 Ų | 52.2 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 148.2 | 179.9 | -69.9 | -63.9 | -175.2 | -166.6 | 0 | 110.9 | E839 S843 T899 Y903 | E839-K841 WeakPolarHBondContact OE2-CE 3.08Å; E839-K841 IonicContact OE2-NZ 2.7Å; E839-K841 PolarHBondContact OE2-NZ 3.39Å; K841-S843 PolarHBondContact O-N 2.96Å; K841-T899 HydrophobicContact CG-CG2 4.31Å; K841-T899 PolarHBondContact N-O 2.89Å; K841-Y903 WeakPolarHBondContact CE-OH 3.05Å; K841-Y903 PolarHBondContact NZ-OH 3.38Å |
| 842 | P | 92.6 | Very high | 89.7 | Confident | 64 Ų | 64 | 47.1 Ų | 47.1 | 42% | 0.416 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -55.4 | 122.8 | 174.3 | -21.8 | 31.5 | 0 | 0 | 0 | 110.9 | A869 | P842-A869 HydrophobicContact CG-CB 4.08Š|
| 843 | S | 90.5 | Very high | 88.7 | Confident | 15 Ų | 15 | 47.9 Ų | 47.9 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | trans | -132 | 132.6 | 170.8 | 172.9 | 0 | 0 | 0 | 0 | 108.8 | K841 D845 | K841-S843 PolarHBondContact O-N 2.96Å; S843-D845 PolarHBondContact O-N 2.98Å; S843-D845 PolarHBondContact OG-N 3.31Å | ||
| 844 | P | 89.9 | Confident | 87.6 | Confident | 71 Ų | 71 | 45.7 Ų | 45.7 | 46% | 0.461 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -21.4 | 177.6 | 29 | -34.6 | 0 | 0 | 0 | 112.9 | K891 | P844-K891 WeakPolarHBondContact O-CD 3.34Š|
| 845 | D | 87.9 | Confident | 86.5 | Confident | 54 Ų | 54 | 46.1 Ų | 46.1 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -8 | -174.3 | -56.4 | -35.5 | 0 | 0 | 0 | 112.7 | S843 K891 T896 | S843-D845 PolarHBondContact O-N 2.98Å; S843-D845 PolarHBondContact OG-N 3.31Å; D845-K891 WeakPolarHBondContact O-CB 3.42Å; D845-K891 PolarHBondContact O-N 2.98Å; D845-T896 HydrophobicContact CB-CG2 3.9Å |
| 846 | L | 90.1 | Very high | 85.7 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.5 | 180 | -162.8 | 79.6 | 0 | 0 | 0 | 111.3 | V840 I848 V888 T896 F898 | V840-L846 HydrophobicContact CG1-CD2 4Å; L846-I848 HydrophobicContact CD2-CG1 4.25Å; L846-V888 HydrophobicContact CD1-CB 3.98Å; L846-V888 HydrophobicContact CD1-CG2 4.11Å; L846-V888 HydrophobicContact CD2-CB 4.07Å; L846-V888 HydrophobicContact CD2-CG1 3.94Å; L846-V888 HydrophobicContact CG-CB 4.13Å; L846-T896 HydrophobicContact CD1-CG2 4.49Å; L846-F898 HydrophobicContact CD1-CB 4.5Å; L846-F898 HydrophobicContact CD1-CD1 3.75Å; L846-F898 HydrophobicContact CD1-CE1 4.16Å; L846-F898 HydrophobicContact CD1-CG 4.14Å; L846-F898 HydrophobicContact CD2-CB 3.79Å; L846-F898 HydrophobicContact CD2-CD1 4.25Å; L846-F898 HydrophobicContact CD2-CD2 4.05Å; L846-F898 HydrophobicContact CD2-CG 3.77Å |
| 847 | R | 91.2 | Very high | 85 | Confident | 83 Ų | 83 | 51.8 Ų | 51.8 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126.4 | 168.2 | -53.8 | -179.8 | -179.4 | 167.1 | 1.1 | 108.4 | V864 I866 V888 S889 K891 | R847-V864 HydrophobicContact CB-CB 4.16Å; R847-V864 HydrophobicContact CB-CG1 4.09Å; R847-I866 HydrophobicContact CG-CD1 4.43Å; R847-I866 HydrophobicContact CG-CG1 4.2Å; R847-V888 CarbonylContact O-C 3.57Å; R847-V888 WeakPolarHBondContact O-CA 3.48Å; R847-S889 WeakPolarHBondContact CB-O 3.47Å; R847-S889 PolarHBondContact N-O 2.84Å; R847-S889 PolarHBondContact O-N 2.68Å; R847-K891 HydrophobicContact CG-CB 4.43Å |
| 848 | I | 90 | Very high | 84.5 | Confident | 11 Ų | 11 | 51.9 Ų | 51.9 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 125.7 | 173.8 | -56.5 | 160.2 | 0 | 0 | 0 | 107.2 | V840 L846 V864 S865 V870 | V840-I848 HydrophobicContact CB-CD1 3.77Å; V840-I848 HydrophobicContact CG1-CD1 3.69Å; V840-I848 HydrophobicContact CG1-CG1 4.2Å; V840-I848 HydrophobicContact CG2-CD1 4.49Å; L846-I848 HydrophobicContact CD2-CG1 4.25Å; I848-V864 CarbonylContact O-C 3.6Å; I848-V864 VanDerWaalsContact O-CA 3.25Å; I848-V864 WeakPolarHBondContact O-CA 3.32Å; I848-S865 WeakPolarHBondContact CB-OG 3.38Å; I848-S865 PolarHBondContact N-O 3.28Å; I848-S865 PolarHBondContact O-N 2.76Å; I848-S865 PolarHBondContact O-OG 3.36Å; I848-V870 HydrophobicContact CB-CG2 4.1Å; I848-V870 HydrophobicContact CD1-CB 3.95Å; I848-V870 HydrophobicContact CD1-CG2 3.6Å; I848-V870 HydrophobicContact CG1-CG2 4.47Å; I848-V870 HydrophobicContact CG2-CB 4.12Å; I848-V870 HydrophobicContact CG2-CG1 4.26Å; I848-V870 HydrophobicContact CG2-CG2 3.83Å |
| 849 | I | 87.8 | Confident | 83.8 | Confident | 6 Ų | 6 | 52.5 Ų | 52.5 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 124.4 | -175.4 | -65.9 | 160.9 | 0 | 0 | 0 | 109.2 | Q819 V857 P862 V864 P887 I1573 | Q819-I849 HydrophobicContact CB-CD1 3.64Å; Q819-I849 HydrophobicContact CG-CD1 3.62Å; I849-V857 HydrophobicContact CG2-CG1 3.99Å; I849-P862 HydrophobicContact CD1-CG 4.39Å; I849-P862 HydrophobicContact CG1-CB 4.35Å; I849-P862 HydrophobicContact CG1-CG 4Å; I849-P862 HydrophobicContact CG2-CB 3.74Å; I849-P862 HydrophobicContact CG2-CG 4.32Å; I849-V864 HydrophobicContact CG1-CG1 4.17Å; I849-P887 HydrophobicContact CB-CB 3.9Å; I849-P887 HydrophobicContact CB-CG 4Å; I849-P887 HydrophobicContact CD1-CB 4.26Å; I849-P887 HydrophobicContact CG2-CB 4.4Å; I849-P887 HydrophobicContact CG2-CG 4.42Å; I849-P887 PolarHBondContact N-O 3.42Å; I849-P887 WeakPolarHBondContact O-CG 3.36Å; I849-I1573 HydrophobicContact CG2-CG2 4.23Å |
| 850 | Q | 84.5 | Confident | 83 | Confident | 84 Ų | 84 | 58 Ų | 58 | 39% | 0.393 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -85.4 | 137.1 | 171.6 | -64.7 | -168.6 | -17.9 | 0 | 0 | 109.5 | E863 | Q850-E863 HydrophobicContact CB-CB 4.25Å; Q850-E863 HydrophobicContact CB-CG 4.23Å; Q850-E863 PolarHBondContact N-O 2.88Å |
| 851 | V | 76.8 | Confident | 82.6 | Confident | 31 Ų | 31 | 61.6 Ų | 61.6 | 19% | 0.188 | 33% | 0.327 | C | S | . | . | trans | -106.6 | 122.6 | 176.3 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | V857 C1582 | V851-V857 HydrophobicContact CB-CG2 3.86Å; V851-V857 HydrophobicContact CG1-CG2 3.47Å; V851-V857 VanDerWaalsContact CG1-CG2 3.47Å; V851-V857 HydrophobicContact CG2-CG2 3.77Å; V851-C1582 WeakPolarHBondContact CB-SG 3.44Å; V851-C1582 HydrophobicContact CG1-CB 4.22Å; V851-C1582 WeakPolarHBondContact CG1-SG 3.26Å; V851-C1582 VanDerWaalsContact CG2-SG 3.53Å | ||
| 852 | G | 74.3 | Confident | 82.2 | Confident | 32 Ų | 32 | 59.7 Ų | 59.7 | 33% | 0.33 | 32% | 0.321 | S | S | . | . | trans | -67.9 | 170.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G855 R856 | G852-G855 PolarHBondContact O-N 3.48Å; G852-G855 VanDerWaalsContact O-N 3.12Å; G852-R856 PolarHBondContact N-O 3.17Å | ||
| 853 | L | 72 | Confident | 82 | Confident | 165 Ų | 165 | 62.9 Ų | 62.9 | 86% | 0.864 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -51.9 | 144.9 | 168.9 | -70.2 | 161.1 | 0 | 0 | 0 | 110.2 | G855 | L853-G855 PolarHBondContact O-N 3.24Š|
| 854 | E | 68.4 | Low | 81.9 | Confident | 119 Ų | 119 | 64.6 Ų | 64.6 | 56% | 0.556 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | 65.2 | 8.2 | -173.7 | -49.1 | -178.6 | 159.1 | 0 | 0 | 116.1 | R856 | E854-R856 VanDerWaalsContact C-N 3.34Å; E854-R856 HydrophobicContact CB-CG 4.43Å; E854-R856 IonicContact OE2-CZ 3.71Å; E854-R856 VanDerWaalsContact OE2-CZ 3.28Å; E854-R856 IonicContact OE2-NE 2.8Å; E854-R856 PolarHBondContact OE2-NE 3.44Å; E854-R856 IonicContact OE2-NH2 3.17Å; E854-R856 PolarHBondContact OE2-NH2 3.5Å |
| 855 | G | 69.8 | Low | 81.9 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 9% | 0.093 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | 75.1 | 23.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G852 L853 V857 C1574 | G852-G855 PolarHBondContact O-N 3.48Å; G852-G855 VanDerWaalsContact O-N 3.12Å; L853-G855 PolarHBondContact O-N 3.24Å; G855-V857 PolarHBondContact O-N 2.9Å; G855-C1574 PolarHBondContact O-SG 2.76Å |
| 856 | R | 75.3 | Confident | 81.9 | Confident | 182 Ų | 182 | 62.4 Ų | 62.4 | 69% | 0.687 | 32% | 0.324 | S | S | * | . | trans | -78.7 | 116.5 | 175.7 | -63.1 | -173.7 | -171.1 | -162.4 | 3.1 | 110.1 | G852 E854 | G852-R856 PolarHBondContact N-O 3.17Å; E854-R856 VanDerWaalsContact C-N 3.34Å; E854-R856 HydrophobicContact CB-CG 4.43Å; E854-R856 IonicContact OE2-CZ 3.71Å; E854-R856 VanDerWaalsContact OE2-CZ 3.28Å; E854-R856 IonicContact OE2-NE 2.8Å; E854-R856 PolarHBondContact OE2-NE 3.44Å; E854-R856 IonicContact OE2-NH2 3.17Å; E854-R856 PolarHBondContact OE2-NH2 3.5Å | ||
| 857 | V | 78.4 | Confident | 81.9 | Confident | 18 Ų | 18 | 66.8 Ų | 66.8 | 11% | 0.109 | 35% | 0.347 | C | S | . | . | trans | -138.4 | 139.1 | 174.2 | -173.7 | 0 | 0 | 0 | 0 | 108.7 | I849 V851 G855 P862 N1572 I1573 C1574 | I849-V857 HydrophobicContact CG2-CG1 3.99Å; V851-V857 HydrophobicContact CB-CG2 3.86Å; V851-V857 HydrophobicContact CG1-CG2 3.47Å; V851-V857 VanDerWaalsContact CG1-CG2 3.47Å; V851-V857 HydrophobicContact CG2-CG2 3.77Å; G855-V857 PolarHBondContact O-N 2.9Å; V857-P862 HydrophobicContact CG1-CB 3.76Å; V857-N1572 PolarHBondContact O-ND2 3.08Å; V857-I1573 HydrophobicContact CB-CG2 4.27Å; V857-I1573 HydrophobicContact CG1-CG2 3.96Å; V857-I1573 HydrophobicContact CG2-CG2 4.19Å; V857-C1574 WeakPolarHBondContact CG2-SG 3.33Å | ||
| 858 | S | 82.9 | Confident | 81.8 | Confident | 53 Ų | 53 | 69.5 Ų | 69.5 | 37% | 0.371 | 36% | 0.361 | S | S | . | . | trans | -84.6 | 144.3 | 173.9 | 81.3 | 0 | 0 | 0 | 0 | 110.8 | Q819 A861 P862 | Q819-S858 PolarHBondContact NE2-O 3.38Å; S858-A861 WeakPolarHBondContact OG-CA 3.13Å; S858-A861 PolarHBondContact OG-N 3.17Å; S858-A861 VanDerWaalsContact OG-N 3.15Å; S858-A861 PolarHBondContact OG-O 3.21Å; S858-P862 WeakPolarHBondContact OG-CA 3.45Å; S858-P862 VanDerWaalsContact OG-N 3.1Å | ||
| 859 | A | 78.6 | Confident | 81.7 | Confident | 14 Ų | 14 | 71 Ų | 71 | 12% | 0.116 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -71.3 | -34.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q819 N1540 N1572 | Q819-A859 PolarHBondContact NE2-O 3.36Å; A859-N1540 PolarHBondContact O-ND2 2.84Å; A859-N1572 HydrophobicContact CB-CB 4.45Å |
| 860 | Y | 77.1 | Confident | 81.7 | Confident | 135 Ų | 135 | 72.9 Ų | 72.9 | 53% | 0.529 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -97.8 | -31.7 | -171.8 | -66.6 | -69.2 | 0 | 0 | 0 | 115.4 | Y1569 | Y860-Y1569 HydrophobicContact CE1-CD2 4.43Å; Y860-Y1569 HydrophobicContact CE1-CE1 4.03Å; Y860-Y1569 AromaticContact CE1-CE2 3.55Å; Y860-Y1569 HydrophobicContact CE1-CE2 3.55Å; Y860-Y1569 AromaticContact CE1-CZ 3.3Å; Y860-Y1569 WeakPolarHBondContact CE1-OH 3.03Å; Y860-Y1569 AromaticContact CZ-CE1 3.78Å; Y860-Y1569 AromaticContact CZ-CZ 3.56Å; Y860-Y1569 VanDerWaalsContact OH-CD1 3.24Å; Y860-Y1569 WeakPolarHBondContact OH-CD1 3.47Å; Y860-Y1569 WeakPolarHBondContact OH-CE1 3.25Å; Y860-Y1569 PolarHBondContact OH-OH 2.78Å |
| 861 | A | 83.6 | Confident | 81.9 | Confident | 78 Ų | 78 | 74.1 Ų | 74.1 | 65% | 0.645 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -144.1 | 62.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | S858 | S858-A861 WeakPolarHBondContact OG-CA 3.13Å; S858-A861 PolarHBondContact OG-N 3.17Å; S858-A861 VanDerWaalsContact OG-N 3.15Å; S858-A861 PolarHBondContact OG-O 3.21Å |
| 862 | P | 85.5 | Confident | 82.4 | Confident | 25 Ų | 25 | 73.6 Ų | 73.6 | 16% | 0.162 | 39% | 0.39 | C | S | . | . | trans | -64.5 | 154.5 | 179.5 | 28.8 | -35.8 | 0 | 0 | 0 | 110 | I849 V857 S858 V864 | I849-P862 HydrophobicContact CD1-CG 4.39Å; I849-P862 HydrophobicContact CG1-CB 4.35Å; I849-P862 HydrophobicContact CG1-CG 4Å; I849-P862 HydrophobicContact CG2-CB 3.74Å; I849-P862 HydrophobicContact CG2-CG 4.32Å; V857-P862 HydrophobicContact CG1-CB 3.76Å; S858-P862 WeakPolarHBondContact OG-CA 3.45Å; S858-P862 VanDerWaalsContact OG-N 3.1Å; P862-V864 HydrophobicContact CG-CG1 4.12Å; P862-V864 PolarHBondContact O-N 3.39Å | ||
| 863 | E | 87.7 | Confident | 83.1 | Confident | 131 Ų | 131 | 75.1 Ų | 75.1 | 61% | 0.612 | 39% | 0.391 | S | S | * | . | trans | -64.6 | 132.3 | 166 | -171.7 | 171.4 | -169.3 | 0 | 0 | 108.4 | Q850 | Q850-E863 HydrophobicContact CB-CB 4.25Å; Q850-E863 HydrophobicContact CB-CG 4.23Å; Q850-E863 PolarHBondContact N-O 2.88Å | ||
| 864 | V | 88.9 | Confident | 83.9 | Confident | 51 Ų | 51 | 67.3 Ų | 67.3 | 31% | 0.309 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 142 | -173.9 | -67.9 | 0 | 0 | 0 | 0 | 111.8 | R847 I848 I849 P862 I866 | R847-V864 HydrophobicContact CB-CB 4.16Å; R847-V864 HydrophobicContact CB-CG1 4.09Å; I848-V864 CarbonylContact O-C 3.6Å; I848-V864 VanDerWaalsContact O-CA 3.25Å; I848-V864 WeakPolarHBondContact O-CA 3.32Å; I849-V864 HydrophobicContact CG1-CG1 4.17Å; P862-V864 HydrophobicContact CG-CG1 4.12Å; P862-V864 PolarHBondContact O-N 3.39Å; V864-I866 HydrophobicContact CG2-CD1 4.27Å; V864-I866 HydrophobicContact CG2-CG1 4.16Å |
| 865 | S | 89.5 | Confident | 84.9 | Confident | 5 Ų | 5 | 67.1 Ų | 67.1 | 4% | 0.035 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 124.1 | 165 | 51.4 | 0 | 0 | 0 | 0 | 109.9 | I848 V870 | I848-S865 WeakPolarHBondContact CB-OG 3.38Å; I848-S865 PolarHBondContact N-O 3.28Å; I848-S865 PolarHBondContact O-N 2.76Å; I848-S865 PolarHBondContact O-OG 3.36Å; S865-V870 VanDerWaalsContact OG-CG2 3.24Å; S865-V870 WeakPolarHBondContact OG-CG2 3.45Å |
| 866 | I | 88.8 | Confident | 85.9 | Confident | 74 Ų | 74 | 66.8 Ų | 66.8 | 38% | 0.379 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 134.9 | -179.6 | -54.2 | 176.8 | 0 | 0 | 0 | 108.1 | R847 V864 K868 | R847-I866 HydrophobicContact CG-CD1 4.43Å; R847-I866 HydrophobicContact CG-CG1 4.2Å; V864-I866 HydrophobicContact CG2-CD1 4.27Å; V864-I866 HydrophobicContact CG2-CG1 4.16Å; I866-K868 PolarHBondContact O-N 3.34Å; I866-K868 VanDerWaalsContact O-N 3.07Å |
| 867 | N | 88.7 | Confident | 86.7 | Confident | 96 Ų | 96 | 65 Ų | 65 | 51% | 0.513 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 50.2 | 33.9 | 178.9 | -160.5 | 37.2 | 0 | 0 | 0 | 113.9 | ||
| 868 | K | 88.8 | Confident | 87.3 | Confident | 141 Ų | 141 | 66.3 Ų | 66.3 | 61% | 0.613 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -124 | 141.4 | 175.1 | -70.9 | 179.7 | -179 | -178.8 | 0 | 108 | I866 | I866-K868 PolarHBondContact O-N 3.34Å; I866-K868 VanDerWaalsContact O-N 3.07Å |
| 869 | A | 88.6 | Confident | 87.4 | Confident | 43 Ų | 43 | 66.7 Ų | 66.7 | 36% | 0.355 | 37% | 0.366 | S | S | . | . | trans | -70.7 | 131.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | E839 V840 P842 | E839-A869 HydrophobicContact CG-CB 4.14Å; E839-A869 WeakPolarHBondContact OE1-CB 3.25Å; V840-A869 WeakPolarHBondContact O-CA 3.12Å; P842-A869 HydrophobicContact CG-CB 4.08Å | ||
| 870 | V | 87.4 | Confident | 87.8 | Confident | 44 Ų | 44 | 68.5 Ų | 68.5 | 27% | 0.267 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 122.7 | 173.6 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | E839 V840 I848 S865 | E839-V870 WeakPolarHBondContact CA-O 3.19Å; V840-V870 PolarHBondContact N-O 2.99Å; V840-V870 PolarHBondContact O-N 2.96Å; I848-V870 HydrophobicContact CB-CG2 4.1Å; I848-V870 HydrophobicContact CD1-CB 3.95Å; I848-V870 HydrophobicContact CD1-CG2 3.6Å; I848-V870 HydrophobicContact CG1-CG2 4.47Å; I848-V870 HydrophobicContact CG2-CB 4.12Å; I848-V870 HydrophobicContact CG2-CG1 4.26Å; I848-V870 HydrophobicContact CG2-CG2 3.83Å; S865-V870 VanDerWaalsContact OG-CG2 3.24Å; S865-V870 WeakPolarHBondContact OG-CG2 3.45Å |
| 871 | Q | 89.1 | Confident | 88.4 | Confident | 111 Ų | 111 | 63.5 Ų | 63.5 | 52% | 0.519 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 140.3 | -175.2 | -66.4 | 178.5 | -2.5 | 0 | 0 | 110.1 | L837 V838 E839 | L837-Q871 HydrophobicContact CD1-CB 3.86Å; L837-Q871 HydrophobicContact CD1-CG 4.4Å; V838-Q871 CarbonylContact O-C 3.55Å; V838-Q871 WeakPolarHBondContact O-CA 3.46Å; E839-Q871 HydrophobicContact CB-CG 4.07Å; E839-Q871 HydrophobicContact CG-CG 3.87Å; E839-Q871 PolarHBondContact OE1-NE2 3.17Å |
| 872 | S | 86.7 | Confident | 88.5 | Confident | 19 Ų | 19 | 64.4 Ų | 64.4 | 13% | 0.133 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 122.4 | 177.9 | -68.8 | 0 | 0 | 0 | 0 | 108.9 | V838 | V838-S872 PolarHBondContact N-O 3.47Å; V838-S872 PolarHBondContact O-N 3.14Å |
| 873 | L | 89.4 | Confident | 88.5 | Confident | 65 Ų | 65 | 64.4 Ų | 64.4 | 34% | 0.34 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 132.4 | 178.4 | -165 | 68.4 | 0 | 0 | 0 | 109.5 | E835 A836 L837 Y875 F1580 | E835-L873 HydrophobicContact CG-CD1 3.6Å; E835-L873 HydrophobicContact CG-CG 4.07Å; E835-L873 VanDerWaalsContact OE1-CD2 3.29Å; E835-L873 WeakPolarHBondContact OE1-CD2 3.38Å; A836-L873 CarbonylContact O-C 3.52Å; L837-L873 HydrophobicContact CD1-CD1 4.3Å; L873-Y875 HydrophobicContact CD2-CE2 4.32Å; L873-Y875 WeakPolarHBondContact CD2-OH 3.48Å; L873-F1580 VanDerWaalsContact O-CD1 3.3Å; L873-F1580 WeakPolarHBondContact O-CD1 3.37Å; L873-F1580 WeakPolarHBondContact O-CE1 3.19Å; L873-F1580 VanDerWaalsContact O-CZ 3.28Å; L873-F1580 WeakPolarHBondContact O-CZ 3.31Å |
| 874 | A | 88.2 | Confident | 88.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 130.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L826 A836 I884 | L826-A874 HydrophobicContact CD1-CB 3.92Å; A836-A874 PolarHBondContact N-O 3.16Å; A836-A874 PolarHBondContact O-N 3.36Å; A874-I884 HydrophobicContact CB-CD1 3.48Å; A874-I884 VanDerWaalsContact CB-CD1 3.48Å; A874-I884 HydrophobicContact CB-CG1 4.2Å |
| 875 | Y | 90.3 | Very high | 88.4 | Confident | 115 Ų | 115 | 57.1 Ų | 57.1 | 45% | 0.451 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 127.5 | 171.9 | -60.2 | -78.1 | 0 | 0 | 0 | 109.7 | E835 L873 R882 | E835-Y875 HydrophobicContact CB-CD1 4.28Å; E835-Y875 HydrophobicContact CB-CE1 4.15Å; E835-Y875 HydrophobicContact CG-CD1 4.23Å; E835-Y875 HydrophobicContact CG-CE1 3.77Å; E835-Y875 WeakPolarHBondContact OE1-CE1 3.14Å; E835-Y875 VanDerWaalsContact OE1-CZ 3.22Å; E835-Y875 PolarHBondContact OE1-OH 3.02Å; L873-Y875 HydrophobicContact CD2-CE2 4.32Å; L873-Y875 WeakPolarHBondContact CD2-OH 3.48Å; Y875-R882 PolarHBondContact O-NH1 3.03Å |
| 876 | L | 90.2 | Very high | 88.3 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 122.1 | 179.7 | -69 | 148.8 | 0 | 0 | 0 | 109.7 | F804 L826 N828 W833 I834 A836 R882 | F804-L876 HydrophobicContact CD2-CD1 4.47Å; F804-L876 HydrophobicContact CE2-CD1 3.9Å; L826-L876 HydrophobicContact CB-CD1 3.71Å; L826-L876 HydrophobicContact CB-CD2 3.92Å; L826-L876 HydrophobicContact CB-CG 4.38Å; L826-L876 HydrophobicContact CD1-CD1 3.82Å; L826-L876 HydrophobicContact CG-CD1 4.44Å; N828-L876 HydrophobicContact CB-CB 3.77Å; N828-L876 HydrophobicContact CB-CD1 4.49Å; N828-L876 PolarHBondContact ND2-O 3.46Å; W833-L876 CarbonylContact C-O 3.58Å; W833-L876 VanDerWaalsContact CA-O 3.22Å; W833-L876 WeakPolarHBondContact CA-O 3.44Å; W833-L876 WeakPolarHBondContact CB-O 3.41Å; I834-L876 PolarHBondContact N-O 2.95Å; I834-L876 PolarHBondContact O-N 3.34Å; A836-L876 HydrophobicContact CB-CD1 3.93Å; L876-R882 HydrophobicContact CD2-CB 3.56Å |
| 877 | E | 91.9 | Very high | 88.3 | Confident | 143 Ų | 143 | 54.2 Ų | 54.2 | 67% | 0.668 | 29% | 0.29 | S | S | * | . | trans | -73.1 | 159.9 | 171.2 | -67.1 | 174.2 | -172.5 | 0 | 0 | 110.7 | N828 G879 T880 | N828-E877 PolarHBondContact ND2-O 3.17Å; E877-G879 PolarHBondContact O-N 3.25Å; E877-T880 HydrophobicContact CB-CG2 3.71Å; E877-T880 PolarHBondContact N-OG1 3.25Å; E877-T880 VanDerWaalsContact N-OG1 3.09Å; E877-T880 PolarHBondContact O-N 3.41Å; E877-T880 PolarHBondContact O-OG1 3.16Å | ||
| 878 | A | 90.8 | Very high | 88.4 | Confident | 46 Ų | 46 | 49.6 Ų | 49.6 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 131.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | W830 N831 T880 | W830-A878 WeakPolarHBondContact O-CA 3.35Å; W830-A878 VanDerWaalsContact O-CB 3.28Å; W830-A878 WeakPolarHBondContact O-CB 3.31Å; N831-A878 VanDerWaalsContact C-CB 3.44Å; N831-A878 WeakPolarHBondContact O-CB 3.38Å; A878-T880 PolarHBondContact O-N 2.73Å |
| 879 | G | 85.2 | Confident | 88.5 | Confident | 62 Ų | 62 | 43.4 Ų | 43.4 | 64% | 0.639 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 6.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | N828 E877 | N828-G879 CarbonylContact O-C 3.49Å; N828-G879 WeakPolarHBondContact O-CA 3.27Å; N828-G879 PolarHBondContact O-N 2.85Å; E877-G879 PolarHBondContact O-N 3.25Å |
| 880 | T | 87.3 | Confident | 88.7 | Confident | 51 Ų | 51 | 41.5 Ų | 41.5 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | trans | -103.4 | 159.7 | -177.1 | 70.9 | 0 | 0 | 0 | 0 | 112.7 | N828 E877 A878 | N828-T880 PolarHBondContact N-O 2.9Å; N828-T880 PolarHBondContact O-N 3.11Å; E877-T880 HydrophobicContact CB-CG2 3.71Å; E877-T880 PolarHBondContact N-OG1 3.25Å; E877-T880 VanDerWaalsContact N-OG1 3.09Å; E877-T880 PolarHBondContact O-N 3.41Å; E877-T880 PolarHBondContact O-OG1 3.16Å; A878-T880 PolarHBondContact O-N 2.73Å | ||
| 881 | S | 88.8 | Confident | 88.7 | Confident | 31 Ų | 31 | 43.4 Ų | 43.4 | 22% | 0.217 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 144.8 | 171.7 | 60.7 | 0 | 0 | 0 | 0 | 111 | L826 F827 | L826-S881 CarbonylContact O-C 3.6Å; L826-S881 WeakPolarHBondContact O-CA 3.39Å; L826-S881 WeakPolarHBondContact O-CB 3.49Å; F827-S881 VanDerWaalsContact CD1-CB 3.49Å |
| 882 | R | 86.3 | Confident | 88.6 | Confident | 96 Ų | 96 | 42.2 Ų | 42.2 | 36% | 0.362 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 130.2 | -177.5 | -165.2 | 172.6 | -174.8 | 157.8 | 5.8 | 110.5 | L826 Y875 L876 | L826-R882 PolarHBondContact N-O 3.38Å; L826-R882 PolarHBondContact O-N 2.94Å; Y875-R882 PolarHBondContact O-NH1 3.03Å; L876-R882 HydrophobicContact CD2-CB 3.56Å |
| 883 | Y | 86.4 | Confident | 88.6 | Confident | 25 Ų | 25 | 44.2 Ų | 44.2 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 132.7 | 169.2 | -82.7 | -49.4 | 0 | 0 | 0 | 109 | S259 K261 E809 R823 A824 C825 Y885 | S259-Y883 PolarHBondContact OG-OH 3.29Å; K261-Y883 HydrophobicContact CB-CE2 4.35Å; K261-Y883 HydrophobicContact CD-CD1 4.42Å; K261-Y883 HydrophobicContact CD-CD2 3.51Å; K261-Y883 HydrophobicContact CD-CE1 4.43Å; K261-Y883 HydrophobicContact CD-CE2 3.44Å; K261-Y883 VanDerWaalsContact CD-CE2 3.44Å; K261-Y883 HydrophobicContact CD-CG 3.96Å; K261-Y883 HydrophobicContact CG-CE2 4.27Å; E809-Y883 PolarHBondContact OE2-OH 3.29Å; R823-Y883 HydrophobicContact CB-CD1 4.32Å; R823-Y883 HydrophobicContact CB-CE1 4.32Å; A824-Y883 CarbonylContact O-C 3.55Å; A824-Y883 WeakPolarHBondContact O-CA 3.18Å; C825-Y883 HydrophobicContact CB-CD1 3.56Å; C825-Y883 HydrophobicContact CB-CE1 3.48Å; C825-Y883 VanDerWaalsContact CB-CE1 3.48Å; Y883-Y885 HydrophobicContact CG-CE2 4.45Å |
| 884 | I | 87.4 | Confident | 88.5 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.9 | 165.6 | -60 | 172 | 0 | 0 | 0 | 106.4 | A824 L826 V838 A874 M886 | A824-I884 HydrophobicContact CB-CB 4.42Å; A824-I884 PolarHBondContact N-O 3.45Å; A824-I884 PolarHBondContact O-N 3.22Å; L826-I884 HydrophobicContact CD1-CD1 3.36Å; L826-I884 HydrophobicContact CD1-CG1 4.37Å; L826-I884 HydrophobicContact CG-CD1 3.92Å; V838-I884 HydrophobicContact CB-CD1 4.26Å; V838-I884 HydrophobicContact CG2-CD1 3.47Å; V838-I884 VanDerWaalsContact CG2-CD1 3.47Å; A874-I884 HydrophobicContact CB-CD1 3.48Å; A874-I884 VanDerWaalsContact CB-CD1 3.48Å; A874-I884 HydrophobicContact CB-CG1 4.2Å; I884-M886 HydrophobicContact CB-CE 4.49Å; I884-M886 HydrophobicContact CG2-CE 3.73Å; I884-M886 HydrophobicContact CG2-CG 4.25Å |
| 885 | Y | 86.3 | Confident | 88.6 | Confident | 29 Ų | 29 | 48.2 Ų | 48.2 | 11% | 0.114 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122.1 | -179.4 | -71.6 | -86.5 | 0 | 0 | 0 | 109.4 | V822 R823 Y883 P1537 C1577 G1578 S1579 Y1588 | V822-Y885 CarbonylContact O-C 3.55Å; V822-Y885 WeakPolarHBondContact O-CA 3.44Å; R823-Y885 HydrophobicContact CB-CD1 4.49Å; R823-Y885 HydrophobicContact CB-CE1 4.32Å; R823-Y885 HydrophobicContact CG-CD1 3.78Å; R823-Y885 HydrophobicContact CG-CE1 3.49Å; R823-Y885 VanDerWaalsContact CG-CE1 3.49Å; Y883-Y885 HydrophobicContact CG-CE2 4.45Å; Y885-P1537 HydrophobicContact CD1-CG 4.11Å; Y885-P1537 HydrophobicContact CE1-CG 4.12Å; Y885-C1577 WeakPolarHBondContact CB-SG 3.23Å; Y885-G1578 WeakPolarHBondContact CB-O 3.36Å; Y885-G1578 WeakPolarHBondContact CD2-O 3.38Å; Y885-S1579 PolarHBondContact O-OG 2.88Å; Y885-Y1588 HydrophobicContact CE2-CE1 4.48Å; Y885-Y1588 VanDerWaalsContact CE2-OH 3.26Å; Y885-Y1588 WeakPolarHBondContact CE2-OH 3.39Å; Y885-Y1588 VanDerWaalsContact CZ-OH 3.27Å; Y885-Y1588 PolarHBondContact OH-OH 3.27Å; Y885-Y1588 VanDerWaalsContact OH-OH 3.09Å |
| 886 | M | 87.8 | Confident | 88.5 | Confident | 9 Ų | 9 | 42.9 Ų | 42.9 | 4% | 0.044 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 108.5 | -178.2 | -62.6 | -178.7 | -175.2 | 0 | 0 | 109.3 | V822 A824 V838 V840 I884 V888 I900 | V822-M886 HydrophobicContact CB-CB 4.29Å; V822-M886 PolarHBondContact N-O 3.25Å; V822-M886 PolarHBondContact O-N 3.1Å; A824-M886 HydrophobicContact CB-CE 4.39Å; V838-M886 HydrophobicContact CB-CE 3.53Å; V838-M886 HydrophobicContact CG1-CE 3.17Å; V838-M886 HydrophobicContact CG1-SD 4.46Å; V840-M886 HydrophobicContact CG2-CB 4.48Å; V840-M886 HydrophobicContact CG2-CG 4.45Å; V840-M886 HydrophobicContact CG2-SD 3.37Å; V840-M886 WeakPolarHBondContact CG2-SD 3.21Å; I884-M886 HydrophobicContact CB-CE 4.49Å; I884-M886 HydrophobicContact CG2-CE 3.73Å; I884-M886 HydrophobicContact CG2-CG 4.25Å; M886-V888 PolarHBondContact O-N 3.36Å; M886-I900 HydrophobicContact CE-CG2 4.19Å; M886-I900 HydrophobicContact SD-CD1 4.03Å; M886-I900 HydrophobicContact SD-CG2 3.88Å |
| 887 | P | 89.4 | Confident | 88.6 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 5% | 0.052 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 118.1 | -178 | 35.1 | -37.7 | 0 | 0 | 0 | 110 | I820 I849 I1573 | I820-P887 CarbonylContact O-C 3.6Å; I820-P887 WeakPolarHBondContact O-CA 3.27Å; I849-P887 HydrophobicContact CB-CB 3.9Å; I849-P887 HydrophobicContact CB-CG 4Å; I849-P887 HydrophobicContact CD1-CB 4.26Å; I849-P887 HydrophobicContact CG2-CB 4.4Å; I849-P887 HydrophobicContact CG2-CG 4.42Å; I849-P887 PolarHBondContact N-O 3.42Å; I849-P887 WeakPolarHBondContact O-CG 3.36Å; P887-I1573 HydrophobicContact CB-CB 4.46Å; P887-I1573 HydrophobicContact CB-CD1 4.31Å; P887-I1573 HydrophobicContact CB-CG1 3.46Å; P887-I1573 VanDerWaalsContact CB-CG1 3.46Å; P887-I1573 HydrophobicContact CB-CG2 4.34Å |
| 888 | V | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 154.8 | -178.7 | -49.9 | 0 | 0 | 0 | 0 | 110.3 | I820 V822 L846 R847 M886 | I820-V888 HydrophobicContact CB-CG2 4.08Å; I820-V888 PolarHBondContact N-O 2.8Å; I820-V888 PolarHBondContact O-N 2.72Å; V822-V888 HydrophobicContact CG2-CB 4.43Å; V822-V888 HydrophobicContact CG2-CG1 4.02Å; V822-V888 HydrophobicContact CG2-CG2 3.53Å; L846-V888 HydrophobicContact CD1-CB 3.98Å; L846-V888 HydrophobicContact CD1-CG2 4.11Å; L846-V888 HydrophobicContact CD2-CB 4.07Å; L846-V888 HydrophobicContact CD2-CG1 3.94Å; L846-V888 HydrophobicContact CG-CB 4.13Å; R847-V888 CarbonylContact O-C 3.57Å; R847-V888 WeakPolarHBondContact O-CA 3.48Å; M886-V888 PolarHBondContact O-N 3.36Å |
| 889 | S | 91.2 | Very high | 88.8 | Confident | 11 Ų | 11 | 38.6 Ų | 38.6 | 8% | 0.077 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 117.8 | 174.4 | -174 | 0 | 0 | 0 | 0 | 108.8 | E818 R847 | E818-S889 PolarHBondContact O-OG 3.3Å; R847-S889 WeakPolarHBondContact CB-O 3.47Å; R847-S889 PolarHBondContact N-O 2.84Å; R847-S889 PolarHBondContact O-N 2.68Å |
| 890 | P | 92 | Very high | 89.2 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 140.3 | 176.1 | -22.1 | 33.3 | 0 | 0 | 0 | 112.1 | I820 T896 V917 | I820-P890 HydrophobicContact CD1-CG 4.07Å; P890-T896 HydrophobicContact CB-CG2 4.38Å; P890-V917 HydrophobicContact CB-CB 4.48Å; P890-V917 HydrophobicContact CB-CG1 4.33Å; P890-V917 HydrophobicContact CB-CG2 3.44Å; P890-V917 VanDerWaalsContact CB-CG2 3.44Å; P890-V917 HydrophobicContact CG-CG2 3.67Å |
| 891 | K | 87.5 | Confident | 89.6 | Confident | 83 Ų | 83 | 33.3 Ų | 33.3 | 36% | 0.361 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -87.2 | -43.3 | -176.6 | -175.7 | -178.2 | 174.3 | -169.9 | 0 | 112.7 | W816 P844 D845 R847 | W816-K891 PolarHBondContact NE1-O 3.19Å; W816-K891 VanDerWaalsContact NE1-O 3.14Å; P844-K891 WeakPolarHBondContact O-CD 3.34Å; D845-K891 WeakPolarHBondContact O-CB 3.42Å; D845-K891 PolarHBondContact O-N 2.98Å; R847-K891 HydrophobicContact CG-CB 4.43Å |
| 892 | L | 87.1 | Confident | 89.8 | Confident | 87 Ų | 87 | 31.9 Ų | 31.9 | 46% | 0.455 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -108.9 | 147.9 | -174.8 | -65.2 | 174.6 | 0 | 0 | 0 | 110.6 | T896 | L892-T896 PolarHBondContact O-OG1 3.37Š|
| 893 | P | 87.1 | Confident | 90.2 | Very high | 61 Ų | 61 | 30.7 Ų | 30.7 | 40% | 0.396 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -68.7 | 159.9 | 167.4 | 34.6 | -38.7 | 0 | 0 | 0 | 110.7 | V917 M919 | P893-V917 CarbonylContact C-O 3.55Å; P893-V917 WeakPolarHBondContact CA-O 3.48Å; P893-M919 HydrophobicContact CB-CE 3.83Å; P893-M919 HydrophobicContact CB-CG 4.2Å; P893-M919 HydrophobicContact CG-CE 3.54Å |
| 894 | G | 86.7 | Confident | 90.4 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 22% | 0.216 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 92.7 | -158.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T896 V917 | G894-T896 PolarHBondContact O-N 3.29Å; G894-V917 PolarHBondContact N-O 3.42Å; G894-V917 PolarHBondContact O-N 3.06Å |
| 895 | N | 89.4 | Confident | 90.4 | Very high | 128 Ų | 128 | 37.4 Ų | 37.4 | 68% | 0.684 | 20% | 0.199 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 112.6 | -177 | -72.2 | -20.3 | 0 | 0 | 0 | 110.7 | I915 Y916 | N895-I915 WeakPolarHBondContact CA-O 3.47Å; N895-Y916 VanDerWaalsContact OD1-CD2 3.24Å; N895-Y916 WeakPolarHBondContact OD1-CD2 3.18Å |
| 896 | T | 89.2 | Confident | 90.3 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120 | 173.9 | -61.2 | 0 | 0 | 0 | 0 | 109.7 | D845 L846 P890 L892 G894 T914 I915 | D845-T896 HydrophobicContact CB-CG2 3.9Å; L846-T896 HydrophobicContact CD1-CG2 4.49Å; P890-T896 HydrophobicContact CB-CG2 4.38Å; L892-T896 PolarHBondContact O-OG1 3.37Å; G894-T896 PolarHBondContact O-N 3.29Å; T896-T914 WeakPolarHBondContact O-CA 3.35Å; T896-I915 PolarHBondContact N-O 2.93Å; T896-I915 PolarHBondContact O-N 2.83Å |
| 897 | S | 92.5 | Very high | 90.3 | Very high | 59 Ų | 59 | 37.6 Ų | 37.6 | 41% | 0.413 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 139.3 | 176.7 | 60.7 | 0 | 0 | 0 | 0 | 112.4 | H913 | S897-H913 WeakPolarHBondContact CA-O 3.32Å |
| 898 | F | 92.4 | Very high | 90.3 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 2% | 0.022 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 157 | 171.9 | 61.1 | -85.9 | 0 | 0 | 0 | 111.7 | L810 V822 L846 I900 T912 H913 I915 | L810-F898 HydrophobicContact CD1-CE1 4.43Å; L810-F898 HydrophobicContact CD1-CZ 4.06Å; V822-F898 HydrophobicContact CG2-CE2 4.13Å; V822-F898 HydrophobicContact CG2-CZ 3.95Å; L846-F898 HydrophobicContact CD1-CB 4.5Å; L846-F898 HydrophobicContact CD1-CD1 3.75Å; L846-F898 HydrophobicContact CD1-CE1 4.16Å; L846-F898 HydrophobicContact CD1-CG 4.14Å; L846-F898 HydrophobicContact CD2-CB 3.79Å; L846-F898 HydrophobicContact CD2-CD1 4.25Å; L846-F898 HydrophobicContact CD2-CD2 4.05Å; L846-F898 HydrophobicContact CD2-CG 3.77Å; F898-I900 HydrophobicContact CD2-CD1 4.35Å; F898-I900 HydrophobicContact CD2-CG1 4.05Å; F898-I900 HydrophobicContact CE2-CD1 3.9Å; F898-I900 HydrophobicContact CE2-CG1 4.08Å; F898-T912 WeakPolarHBondContact O-CA 3.25Å; F898-H913 PolarHBondContact N-O 2.88Å; F898-H913 PolarHBondContact O-N 3.48Å; F898-I915 HydrophobicContact CE1-CD1 3.59Å; F898-I915 HydrophobicContact CE1-CG1 3.91Å; F898-I915 HydrophobicContact CZ-CD1 4.04Å |
| 899 | T | 94.7 | Very high | 90.3 | Very high | 38 Ų | 38 | 39.7 Ų | 39.7 | 23% | 0.233 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 132 | -176.2 | -52.9 | 0 | 0 | 0 | 0 | 110.7 | K841 C910 E911 T912 | K841-T899 HydrophobicContact CG-CG2 4.31Å; K841-T899 PolarHBondContact N-O 2.89Å; T899-C910 HydrophobicContact CG2-CB 4.26Å; T899-E911 CarbonylContact C-O 3.49Å; T899-E911 WeakPolarHBondContact CA-O 3.45Å; T899-T912 PolarHBondContact OG1-OG1 3.33Å |
| 900 | I | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128 | 173 | -53.5 | -175.6 | 0 | 0 | 0 | 108.2 | M806 V808 V822 V838 E839 V840 M886 F898 C910 E911 | M806-I900 HydrophobicContact CE-CB 4.24Å; M806-I900 HydrophobicContact CE-CG2 3.78Å; M806-I900 HydrophobicContact SD-CG2 4.23Å; V808-I900 HydrophobicContact CG1-CD1 4.03Å; V822-I900 HydrophobicContact CB-CD1 4.33Å; V822-I900 HydrophobicContact CG1-CD1 3.55Å; V838-I900 HydrophobicContact CG1-CG2 3.7Å; E839-I900 WeakPolarHBondContact O-CA 3.41Å; V840-I900 HydrophobicContact CG2-CG1 4.29Å; M886-I900 HydrophobicContact CE-CG2 4.19Å; M886-I900 HydrophobicContact SD-CD1 4.03Å; M886-I900 HydrophobicContact SD-CG2 3.88Å; F898-I900 HydrophobicContact CD2-CD1 4.35Å; F898-I900 HydrophobicContact CD2-CG1 4.05Å; F898-I900 HydrophobicContact CE2-CD1 3.9Å; F898-I900 HydrophobicContact CE2-CG1 4.08Å; I900-C910 CarbonylContact O-C 3.58Å; I900-C910 WeakPolarHBondContact O-CA 3.21Å; I900-E911 PolarHBondContact N-O 3.07Å; I900-E911 PolarHBondContact O-N 3.29Å |
| 901 | C | 95.1 | Very high | 90.2 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 137.4 | 178.8 | -68.9 | 0 | 0 | 0 | 0 | 110.7 | V838 E839 Y903 N909 C910 | V838-C901 CarbonylContact C-O 3.49Å; V838-C901 VanDerWaalsContact CA-O 3.29Å; V838-C901 WeakPolarHBondContact CA-O 3.31Å; V838-C901 WeakPolarHBondContact CG1-O 3.4Å; E839-C901 PolarHBondContact N-O 3.46Å; E839-C901 PolarHBondContact O-N 3.43Å; C901-Y903 HydrophobicContact CB-CD2 4.36Å; C901-Y903 HydrophobicContact CB-CE2 3.55Å; C901-N909 CarbonylContact C-O 3.53Å; C901-N909 WeakPolarHBondContact CA-O 3.41Å; C901-C910 HydrophobicContact CB-CB 4.15Å; C901-C910 WeakPolarHBondContact CB-SG 3.49Å; C901-C910 WeakPolarHBondContact SG-CB 3.4Å; C901-C910 CovalentContact SG-SG 2.05Å; C901-C910 PolarHBondContact SG-SG 3.15Å |
| 902 | A | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | F804 M806 L826 L837 V838 S908 N909 | F804-A902 HydrophobicContact CE1-CB 4.09Å; F804-A902 HydrophobicContact CZ-CB 3.89Å; M806-A902 HydrophobicContact CB-CB 4.17Å; M806-A902 HydrophobicContact CE-CB 3.96Å; M806-A902 HydrophobicContact SD-CB 3.84Å; L826-A902 HydrophobicContact CD2-CB 3.62Å; L837-A902 CarbonylContact O-C 3.54Å; L837-A902 WeakPolarHBondContact O-CA 3.14Å; V838-A902 HydrophobicContact CG1-CB 4.21Å; V838-A902 HydrophobicContact CG2-CB 4.03Å; A902-S908 CarbonylContact O-C 3.52Å; A902-S908 WeakPolarHBondContact O-CA 3.46Å; A902-N909 PolarHBondContact N-O 2.87Å; A902-N909 PolarHBondContact O-N 3.18Å |
| 903 | Y | 93.4 | Very high | 90.7 | Very high | 72 Ų | 72 | 41.7 Ų | 41.7 | 28% | 0.282 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130 | -179.5 | -59.3 | -80.3 | 0 | 0 | 0 | 109.5 | A836 L837 E839 K841 C901 | A836-Y903 CarbonylContact C-O 3.58Å; A836-Y903 VanDerWaalsContact CA-O 3.27Å; A836-Y903 WeakPolarHBondContact CA-O 3.44Å; L837-Y903 HydrophobicContact CD2-CD2 4.5Å; L837-Y903 PolarHBondContact N-O 3.09Å; L837-Y903 PolarHBondContact O-N 2.81Å; E839-Y903 HydrophobicContact CB-CE2 4.19Å; K841-Y903 WeakPolarHBondContact CE-OH 3.05Å; K841-Y903 PolarHBondContact NZ-OH 3.38Å; C901-Y903 HydrophobicContact CB-CD2 4.36Å; C901-Y903 HydrophobicContact CB-CE2 3.55Å |
| 904 | S | 90.9 | Very high | 91 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 168.7 | 167.1 | 71.9 | 0 | 0 | 0 | 0 | 108.6 | F804 I906 G907 | F804-S904 WeakPolarHBondContact CD1-OG 3.24Å; S904-I906 PolarHBondContact O-N 3.5Å; S904-I906 PolarHBondContact OG-N 3.36Å; S904-G907 PolarHBondContact N-O 3.19Å; S904-G907 PolarHBondContact O-N 3.27Å; S904-G907 VanDerWaalsContact O-O 3.12Å; S904-G907 PolarHBondContact OG-N 2.91Å; S904-G907 PolarHBondContact OG-O 3.08Å |
| 905 | F | 87.3 | Confident | 91.3 | Very high | 147 Ų | 147 | 42.3 Ų | 42.3 | 65% | 0.645 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -66.9 | -15.7 | 175.2 | 72.6 | -90.4 | 0 | 0 | 0 | 114 | W830 I834 | W830-F905 HydrophobicContact CE3-CZ 4.34Å; W830-F905 AromaticContact CH2-CE2 3.65Å; W830-F905 HydrophobicContact CH2-CE2 3.65Å; W830-F905 AromaticContact CH2-CZ 3.84Å; W830-F905 HydrophobicContact CH2-CZ 3.84Å; W830-F905 HydrophobicContact CZ3-CE1 4.17Å; W830-F905 AromaticContact CZ3-CE2 3.49Å; W830-F905 HydrophobicContact CZ3-CE2 3.49Å; W830-F905 VanDerWaalsContact CZ3-CE2 3.49Å; W830-F905 AromaticContact CZ3-CZ 3.26Å; W830-F905 HydrophobicContact CZ3-CZ 3.26Å; I834-F905 HydrophobicContact CG1-CE1 4.43Å; I834-F905 HydrophobicContact CG2-CD1 4.48Å; I834-F905 HydrophobicContact CG2-CE1 4.42Å |
| 906 | I | 85.5 | Confident | 91.4 | Very high | 28 Ų | 28 | 40.4 Ų | 40.4 | 14% | 0.144 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -86.4 | -36.6 | 178.3 | -54.7 | 171.3 | 0 | 0 | 0 | 111.1 | R803 W830 I834 S904 | R803-I906 HydrophobicContact CB-CG2 4.24Å; W830-I906 HydrophobicContact CB-CD1 4.44Å; W830-I906 HydrophobicContact CD2-CD1 3.73Å; W830-I906 HydrophobicContact CE3-CD1 3.04Å; W830-I906 HydrophobicContact CE3-CG1 3.95Å; W830-I906 HydrophobicContact CG-CD1 4.36Å; W830-I906 HydrophobicContact CH2-CD1 4.12Å; W830-I906 HydrophobicContact CH2-CG1 4.17Å; W830-I906 HydrophobicContact CZ3-CD1 3.21Å; W830-I906 HydrophobicContact CZ3-CG1 3.56Å; I834-I906 HydrophobicContact CD1-CD1 3.27Å; I834-I906 HydrophobicContact CD1-CG1 4.45Å; I834-I906 HydrophobicContact CG1-CD1 3.88Å; S904-I906 PolarHBondContact O-N 3.5Å; S904-I906 PolarHBondContact OG-N 3.36Å |
| 907 | G | 85.8 | Confident | 91.6 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 16% | 0.155 | 22% | 0.221 | C | C | . | . | trans | 179.3 | 172.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N574 S904 | N574-G907 WeakPolarHBondContact OD1-CA 3.06Å; S904-G907 PolarHBondContact N-O 3.19Å; S904-G907 PolarHBondContact O-N 3.27Å; S904-G907 VanDerWaalsContact O-O 3.12Å; S904-G907 PolarHBondContact OG-N 2.91Å; S904-G907 PolarHBondContact OG-O 3.08Å | ||
| 908 | S | 90.6 | Very high | 91.4 | Very high | 44 Ų | 44 | 41 Ų | 41 | 31% | 0.308 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 151.5 | 179.8 | 62.3 | 0 | 0 | 0 | 0 | 111.1 | N574 A902 | N574-S908 PolarHBondContact ND2-O 3.08Å; N574-S908 PolarHBondContact OD1-N 3.45Å; A902-S908 CarbonylContact O-C 3.52Å; A902-S908 WeakPolarHBondContact O-CA 3.46Å |
| 909 | N | 90.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 125.3 | 175.5 | 179.7 | -9 | 0 | 0 | 0 | 109 | M806 C901 A902 | M806-N909 PolarHBondContact N-ND2 2.92Å; M806-N909 PolarHBondContact O-ND2 3.04Å; C901-N909 CarbonylContact C-O 3.53Å; C901-N909 WeakPolarHBondContact CA-O 3.41Å; A902-N909 PolarHBondContact N-O 2.87Å; A902-N909 PolarHBondContact O-N 3.18Å |
| 910 | C | 92.3 | Very high | 90.9 | Very high | 61 Ų | 61 | 41.6 Ų | 41.6 | 41% | 0.412 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 133.6 | 176.9 | -66.1 | 0 | 0 | 0 | 0 | 110.4 | T899 I900 C901 | T899-C910 HydrophobicContact CG2-CB 4.26Å; I900-C910 CarbonylContact O-C 3.58Å; I900-C910 WeakPolarHBondContact O-CA 3.21Å; C901-C910 HydrophobicContact CB-CB 4.15Å; C901-C910 WeakPolarHBondContact CB-SG 3.49Å; C901-C910 WeakPolarHBondContact SG-CB 3.4Å; C901-C910 CovalentContact SG-SG 2.05Å; C901-C910 PolarHBondContact SG-SG 3.15Å |
| 911 | E | 89.9 | Confident | 90.5 | Very high | 20 Ų | 20 | 42.1 Ų | 42.1 | 9% | 0.093 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 131.2 | 174.5 | -55 | -154.9 | 145.1 | 0 | 0 | 110.3 | K771 V808 T899 I900 H913 | K771-E911 WeakPolarHBondContact CD-OE1 3.36Å; K771-E911 IonicContact NZ-OE1 3.44Å; K771-E911 PolarHBondContact NZ-OE1 3.2Å; V808-E911 WeakPolarHBondContact CB-OE2 3.37Å; V808-E911 HydrophobicContact CG2-CB 4.24Å; V808-E911 HydrophobicContact CG2-CG 4.37Å; V808-E911 WeakPolarHBondContact CG2-OE2 3.49Å; V808-E911 PolarHBondContact N-OE2 2.93Å; V808-E911 VanDerWaalsContact N-OE2 3.11Å; T899-E911 CarbonylContact C-O 3.49Å; T899-E911 WeakPolarHBondContact CA-O 3.45Å; I900-E911 PolarHBondContact N-O 3.07Å; I900-E911 PolarHBondContact O-N 3.29Å; E911-H913 IonicContact OE2-NE2 3.63Å; E911-H913 PolarHBondContact OE2-NE2 3.45Å; E911-H913 VanDerWaalsContact OE2-NE2 3.17Å |
| 912 | T | 93.3 | Very high | 90.1 | Very high | 92 Ų | 92 | 42.4 Ų | 42.4 | 56% | 0.564 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 125.2 | 172.8 | -59.5 | 0 | 0 | 0 | 0 | 108.7 | F898 T899 | F898-T912 WeakPolarHBondContact O-CA 3.25Å; T899-T912 PolarHBondContact OG1-OG1 3.33Å |
| 913 | H | 91 | Very high | 89.9 | Confident | 54 Ų | 54 | 43.1 Ų | 43.1 | 25% | 0.25 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 144.3 | 179.7 | -76.4 | -89.9 | 0 | 0 | 0 | 111 | L810 S897 F898 E911 | L810-H913 HydrophobicContact CD1-CB 4.09Å; L810-H913 HydrophobicContact CD2-CB 3.73Å; S897-H913 WeakPolarHBondContact CA-O 3.32Å; F898-H913 PolarHBondContact N-O 2.88Å; F898-H913 PolarHBondContact O-N 3.48Å; E911-H913 IonicContact OE2-NE2 3.63Å; E911-H913 PolarHBondContact OE2-NE2 3.45Å; E911-H913 VanDerWaalsContact OE2-NE2 3.17Å |
| 914 | T | 93.1 | Very high | 89.7 | Confident | 94 Ų | 94 | 39.9 Ų | 39.9 | 58% | 0.577 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.3 | 177.8 | 52.6 | 0 | 0 | 0 | 0 | 109.8 | T896 | T896-T914 WeakPolarHBondContact O-CA 3.35Å |
| 915 | I | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 131.2 | 174.2 | -56.5 | -178.9 | 0 | 0 | 0 | 108.7 | L810 A814 I820 N895 T896 F898 V917 | L810-I915 HydrophobicContact CD1-CD1 3.39Å; L810-I915 HydrophobicContact CD1-CG1 3.24Å; A814-I915 HydrophobicContact CB-CG2 3.81Å; I820-I915 HydrophobicContact CD1-CD1 3.83Å; N895-I915 WeakPolarHBondContact CA-O 3.47Å; T896-I915 PolarHBondContact N-O 2.93Å; T896-I915 PolarHBondContact O-N 2.83Å; F898-I915 HydrophobicContact CE1-CD1 3.59Å; F898-I915 HydrophobicContact CE1-CG1 3.91Å; F898-I915 HydrophobicContact CZ-CD1 4.04Å; I915-V917 HydrophobicContact CG2-CG2 4.14Å |
| 916 | Y | 93 | Very high | 89.9 | Confident | 89 Ų | 89 | 36.2 Ų | 36.2 | 35% | 0.349 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 113.3 | 169.3 | -177.9 | -112.7 | 0 | 0 | 0 | 110.5 | E812 E813 A814 N895 R918 | E812-Y916 PolarHBondContact O-N 2.71Å; E813-Y916 CarbonylContact C-O 3.05Å; E813-Y916 VanDerWaalsContact CA-O 3.3Å; E813-Y916 WeakPolarHBondContact CA-O 3.34Å; E813-Y916 HydrophobicContact CG-CD1 4.24Å; A814-Y916 PolarHBondContact N-O 2.81Å; N895-Y916 VanDerWaalsContact OD1-CD2 3.24Å; N895-Y916 WeakPolarHBondContact OD1-CD2 3.18Å; Y916-R918 HydrophobicContact CD1-CG 3.87Å; Y916-R918 HydrophobicContact CE1-CG 3.49Å; Y916-R918 VanDerWaalsContact CE1-CG 3.49Å |
| 917 | V | 91.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 111.6 | -174.5 | -174 | 0 | 0 | 0 | 0 | 109.6 | A814 W816 P890 P893 G894 I915 | A814-V917 CarbonylContact O-C 3.59Å; A814-V917 WeakPolarHBondContact O-CA 3.29Å; W816-V917 HydrophobicContact CB-CG1 4.01Å; P890-V917 HydrophobicContact CB-CB 4.48Å; P890-V917 HydrophobicContact CB-CG1 4.33Å; P890-V917 HydrophobicContact CB-CG2 3.44Å; P890-V917 VanDerWaalsContact CB-CG2 3.44Å; P890-V917 HydrophobicContact CG-CG2 3.67Å; P893-V917 CarbonylContact C-O 3.55Å; P893-V917 WeakPolarHBondContact CA-O 3.48Å; G894-V917 PolarHBondContact N-O 3.42Å; G894-V917 PolarHBondContact O-N 3.06Å; I915-V917 HydrophobicContact CG2-CG2 4.14Å |
| 918 | R | 89.1 | Confident | 90.6 | Very high | 72 Ų | 72 | 35.1 Ų | 35.1 | 27% | 0.272 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 152.9 | 173.7 | -64.2 | -178.1 | -174.3 | -117.9 | 0.8 | 110.3 | E813 A814 V815 W816 Y916 | E813-R918 IonicContact OE1-CZ 3.9Å; E813-R918 IonicContact OE1-NE 3.79Å; E813-R918 IonicContact OE1-NH2 3.84Å; E813-R918 PolarHBondContact OE1-NH2 3.2Å; E813-R918 IonicContact OE2-CZ 3.98Å; E813-R918 IonicContact OE2-NE 3.8Å; E813-R918 PolarHBondContact OE2-NE 3.49Å; E813-R918 IonicContact OE2-NH2 2.92Å; E813-R918 PolarHBondContact OE2-NH2 2.74Å; E813-R918 VanDerWaalsContact OE2-NH2 3.11Å; A814-R918 PolarHBondContact O-N 3.5Å; V815-R918 CarbonylContact C-O 3.54Å; V815-R918 WeakPolarHBondContact CA-O 3.43Å; W816-R918 WeakPolarHBondContact CB-O 3.18Å; W816-R918 PolarHBondContact N-O 3.48Å; Y916-R918 HydrophobicContact CD1-CG 3.87Å; Y916-R918 HydrophobicContact CE1-CG 3.49Å; Y916-R918 VanDerWaalsContact CE1-CG 3.49Å |
| 919 | M | 89.6 | Confident | 90.7 | Very high | 27 Ų | 27 | 33.7 Ų | 33.7 | 13% | 0.133 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 155.4 | 169.1 | -78.1 | -71.9 | -175.4 | 0 | 0 | 111.3 | W816 P893 N1413 | W816-M919 HydrophobicContact CB-SD 4.18Å; W816-M919 HydrophobicContact CD2-SD 4.37Å; W816-M919 HydrophobicContact CG-SD 4.21Å; P893-M919 HydrophobicContact CB-CE 3.83Å; P893-M919 HydrophobicContact CB-CG 4.2Å; P893-M919 HydrophobicContact CG-CE 3.54Å; M919-N1413 PolarHBondContact O-ND2 3.29Å |
| 920 | N | 87.2 | Confident | 90.6 | Very high | 30 Ų | 30 | 34.4 Ų | 34.4 | 16% | 0.16 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -67.6 | 163.9 | -177.5 | -59.2 | 16.6 | 0 | 0 | 0 | 111.2 | V815 W816 V964 N1413 T1542 | V815-N920 HydrophobicContact CG1-CB 4.15Å; V815-N920 WeakPolarHBondContact CG1-OD1 3.42Å; W816-N920 PolarHBondContact N-OD1 3.12Å; W816-N920 VanDerWaalsContact O-CG 3.25Å; W816-N920 PolarHBondContact O-ND2 3.22Å; W816-N920 PolarHBondContact O-OD1 2.98Å; N920-V964 HydrophobicContact CB-CG1 4.17Å; N920-V964 HydrophobicContact CB-CG2 4.47Å; N920-V964 VanDerWaalsContact O-CG2 3.26Å; N920-V964 WeakPolarHBondContact O-CG2 3.37Å; N920-N1413 WeakPolarHBondContact O-CB 3.37Å; N920-N1413 PolarHBondContact O-ND2 3.49Å; N920-T1542 HydrophobicContact CB-CG2 3.89Å |
| 921 | G | 85 | Confident | 90.5 | Very high | 11 Ų | 11 | 31.8 Ų | 31.8 | 11% | 0.113 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 88.1 | 179.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1414 | G921-V1414 WeakPolarHBondContact CA-O 2.98Š|
| 922 | V | 86.8 | Confident | 90.4 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 5% | 0.048 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 131.2 | 178 | 175.8 | 0 | 0 | 0 | 0 | 109.9 | N924 N1413 V1414 R1546 L1562 | V922-N924 PolarHBondContact O-N 2.59Å; V922-N1413 CarbonylContact O-C 3.46Å; V922-N1413 VanDerWaalsContact O-CA 3.3Å; V922-N1413 WeakPolarHBondContact O-CA 3.44Å; V922-V1414 PolarHBondContact N-O 3.47Å; V922-V1414 WeakPolarHBondContact O-CG2 3.48Å; V922-V1414 PolarHBondContact O-N 3.08Å; V922-R1546 HydrophobicContact CG1-CB 4.07Å; V922-R1546 HydrophobicContact CG1-CG 4.1Å; V922-R1546 HydrophobicContact CG2-CB 3.98Å; V922-L1562 HydrophobicContact CB-CD2 4.34Å; V922-L1562 HydrophobicContact CG2-CD2 3.41Å; V922-L1562 VanDerWaalsContact CG2-CD2 3.41Å |
| 923 | T | 89.2 | Confident | 90.2 | Very high | 14 Ų | 14 | 28.6 Ų | 28.6 | 9% | 0.086 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 124.8 | -179.7 | 44.4 | 0 | 0 | 0 | 0 | 110.9 | Y925 N1413 | T923-Y925 PolarHBondContact OG1-OH 3.21Å; T923-N1413 WeakPolarHBondContact CA-OD1 3.25Å; T923-N1413 WeakPolarHBondContact CG2-OD1 3.29Å |
| 924 | N | 90.8 | Very high | 90 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 3% | 0.027 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 128.1 | 162.6 | -77.8 | -23.2 | 0 | 0 | 0 | 108.6 | V922 Y926 E1411 V1412 V1414 M1419 K1421 | V922-N924 PolarHBondContact O-N 2.59Å; N924-Y926 HydrophobicContact CB-CE2 3.85Å; N924-E1411 WeakPolarHBondContact O-CA 3.45Å; N924-V1412 HydrophobicContact CB-CG1 4.24Å; N924-V1412 PolarHBondContact N-O 3.34Å; N924-V1412 PolarHBondContact O-N 3.44Å; N924-V1414 WeakPolarHBondContact ND2-CG1 3.21Å; N924-M1419 PolarHBondContact ND2-O 2.77Å; N924-K1421 PolarHBondContact OD1-N 2.83Å |
| 925 | Y | 90.7 | Very high | 89.5 | Confident | 58 Ų | 58 | 24.5 Ų | 24.5 | 23% | 0.227 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 131.7 | 177.5 | -62.4 | -71.4 | 0 | 0 | 0 | 111.3 | T923 R997 E1411 K1421 | T923-Y925 PolarHBondContact OG1-OH 3.21Å; Y925-R997 VanDerWaalsContact CG-NH1 3.35Å; Y925-E1411 HydrophobicContact CD1-CB 4.09Å; Y925-E1411 HydrophobicContact CE1-CB 4.29Å; Y925-E1411 WeakPolarHBondContact CE1-OE2 3.34Å; Y925-K1421 PolarHBondContact O-NZ 3.48Å |
| 926 | Y | 91.8 | Very high | 89.1 | Confident | 31 Ų | 31 | 29.4 Ų | 29.4 | 12% | 0.122 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134.8 | 175.2 | -59.8 | -74.2 | 0 | 0 | 0 | 109.7 | N924 I948 P1275 A1410 V1412 | N924-Y926 HydrophobicContact CB-CE2 3.85Å; Y926-I948 HydrophobicContact CD1-CD1 4.42Å; Y926-P1275 HydrophobicContact CD1-CG 4.17Å; Y926-P1275 HydrophobicContact CG-CG 4.37Å; Y926-A1410 PolarHBondContact N-O 3.25Å; Y926-A1410 PolarHBondContact O-N 2.84Å; Y926-V1412 HydrophobicContact CD2-CG1 4.47Å; Y926-V1412 HydrophobicContact CE2-CG1 3.85Å |
| 927 | H | 92.5 | Very high | 88.6 | Confident | 10 Ų | 10 | 27.8 Ų | 27.8 | 5% | 0.046 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 135.7 | 179.9 | -169.6 | 80.5 | 0 | 0 | 0 | 110.4 | P1275 R1276 R1320 N1321 L1408 D1409 | H927-P1275 WeakPolarHBondContact O-CA 3.47Å; H927-P1275 WeakPolarHBondContact O-CB 3.42Å; H927-R1276 PolarHBondContact O-N 3.35Å; H927-R1320 PolarHBondContact CD2-O 2.91Å; H927-N1321 VanDerWaalsContact CB-O 3.28Å; H927-N1321 WeakPolarHBondContact CB-O 3.44Å; H927-L1408 WeakPolarHBondContact CA-O 3.37Å; H927-D1409 IonicContact CE1-OD1 2.73Å; H927-D1409 IonicContact CE1-OD2 2.9Å; H927-D1409 IonicContact CG-OD1 3.16Å; H927-D1409 VanDerWaalsContact ND1-CG 3.33Å; H927-D1409 IonicContact ND1-OD1 3.88Å; H927-D1409 PolarHBondContact ND1-OD1 3.47Å; H927-D1409 IonicContact ND1-OD2 3.25Å |
| 928 | T | 92.7 | Very high | 88.1 | Confident | 9 Ų | 9 | 32 Ų | 32 | 6% | 0.055 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 126.1 | 171.6 | -47.5 | 0 | 0 | 0 | 0 | 107.9 | F945 E1273 P1275 Q1407 L1408 | T928-F945 HydrophobicContact CG2-CD1 3.9Å; T928-F945 HydrophobicContact CG2-CE1 3.97Å; T928-F945 HydrophobicContact CG2-CG 4.25Å; T928-F945 HydrophobicContact CG2-CZ 4.36Å; T928-E1273 HydrophobicContact CG2-CB 3.97Å; T928-P1275 WeakPolarHBondContact OG1-CA 3.2Å; T928-P1275 WeakPolarHBondContact OG1-CB 3.24Å; T928-Q1407 CarbonylContact O-C 3.45Å; T928-Q1407 VanDerWaalsContact O-CA 3.3Å; T928-Q1407 WeakPolarHBondContact O-CA 3.47Å; T928-L1408 PolarHBondContact N-O 3.17Å; T928-L1408 PolarHBondContact O-N 2.99Å |
| 929 | A | 91.5 | Very high | 88 | Confident | 15 Ų | 15 | 32 Ų | 32 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 139.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | A1317 L1406 Q1407 | A929-A1317 WeakPolarHBondContact CB-O 3.08Å; A929-L1406 CarbonylContact C-O 3.52Å; A929-L1406 WeakPolarHBondContact CA-O 3.24Å; A929-Q1407 HydrophobicContact CB-CG 3.93Å |
| 930 | S | 89 | Confident | 87.7 | Confident | 22 Ų | 22 | 33 Ų | 33 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 131.9 | 173.4 | -172.6 | 0 | 0 | 0 | 0 | 110.3 | L1406 | S930-L1406 PolarHBondContact N-O 2.83Å; S930-L1406 PolarHBondContact O-N 2.95Å |
| 931 | F | 89.7 | Confident | 87.5 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 2% | 0.022 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 131.5 | 175 | 175.5 | -116.1 | 0 | 0 | 0 | 109.8 | F978 V1313 H1314 A1317 R1403 V1404 L1405 | F931-F978 HydrophobicContact CD2-CB 4.01Å; F931-F978 HydrophobicContact CE2-CB 3.65Å; F931-F978 HydrophobicContact CE2-CD1 4.21Å; F931-F978 HydrophobicContact CE2-CG 4.44Å; F931-F978 HydrophobicContact CZ-CB 4.11Å; F931-F978 HydrophobicContact CZ-CD1 4.11Å; F931-V1313 HydrophobicContact CD1-CG1 4.2Å; F931-V1313 HydrophobicContact CE1-CG1 4.02Å; F931-V1313 HydrophobicContact CZ-CG1 4.47Å; F931-H1314 AromaticContact CD1-CE1 3.35Å; F931-H1314 WeakPolarHBondContact CD1-CE1 3.48Å; F931-H1314 AromaticContact CD1-CG 3.74Å; F931-H1314 AromaticContact CD1-ND1 3.32Å; F931-H1314 VanDerWaalsContact CD1-ND1 3.32Å; F931-H1314 WeakPolarHBondContact CD1-ND1 3.47Å; F931-H1314 AromaticContact CD1-NE2 3.81Å; F931-H1314 AromaticContact CE1-CE1 3.83Å; F931-H1314 AromaticContact CE1-NE2 3.92Å; F931-H1314 PolarHBondContact O-CE1 3.12Å; F931-H1314 PolarHBondContact O-ND1 3.25Å; F931-A1317 HydrophobicContact CB-CB 3.52Å; F931-A1317 HydrophobicContact CG-CB 4.28Å; F931-R1403 HydrophobicContact CE2-CB 3.88Å; F931-R1403 HydrophobicContact CE2-CG 4.43Å; F931-R1403 HydrophobicContact CZ-CB 3.97Å; F931-R1403 HydrophobicContact CZ-CG 4.02Å; F931-V1404 WeakPolarHBondContact CD2-O 3.02Å; F931-L1405 HydrophobicContact CB-CD1 4.19Å |
| 932 | L | 89.3 | Confident | 87.3 | Confident | 21 Ų | 21 | 38.6 Ų | 38.6 | 11% | 0.11 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136.5 | -175.3 | -57.3 | 173.9 | 0 | 0 | 0 | 110.4 | L940 V942 L1398 R1403 V1404 L1406 | L932-L940 HydrophobicContact CD1-CD2 4.11Å; L932-L940 HydrophobicContact CD2-CD2 3.88Å; L932-L940 HydrophobicContact CG-CD2 4.45Å; L932-V942 HydrophobicContact CD1-CB 4.28Å; L932-V942 HydrophobicContact CD1-CG1 3.9Å; L932-V942 HydrophobicContact CD1-CG2 3.45Å; L932-V942 VanDerWaalsContact CD1-CG2 3.45Å; L932-L1398 HydrophobicContact CD1-CD1 3.96Å; L932-L1398 HydrophobicContact CD1-CD2 4.01Å; L932-R1403 WeakPolarHBondContact O-CA 3.24Å; L932-V1404 PolarHBondContact N-O 2.95Å; L932-V1404 PolarHBondContact O-N 3.39Å; L932-L1406 HydrophobicContact CD1-CD1 3.55Å; L932-L1406 HydrophobicContact CD1-CG 4.42Å |
| 933 | D | 87.5 | Confident | 87.3 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 13% | 0.128 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 114.9 | 175.6 | -164.9 | -22.3 | 0 | 0 | 0 | 109.6 | T935 R1403 | D933-T935 VanDerWaalsContact CG-OG1 3.29Å; D933-T935 WeakPolarHBondContact OD1-CB 3.45Å; D933-T935 WeakPolarHBondContact OD1-CG2 3.09Å; D933-T935 PolarHBondContact OD1-N 2.83Å; D933-T935 PolarHBondContact OD1-OG1 2.87Å; D933-T935 PolarHBondContact OD2-OG1 2.84Å; D933-R1403 HydrophobicContact CB-CG 4.38Å; D933-R1403 IonicContact OD1-NE 2.82Å; D933-R1403 IonicContact OD2-CZ 3.9Å; D933-R1403 IonicContact OD2-NE 3.7Å; D933-R1403 PolarHBondContact OD2-NE 2.62Å; D933-R1403 IonicContact OD2-NH2 3.42Å; D933-R1403 PolarHBondContact OD2-NH2 3.36Å |
| 934 | L | 87.4 | Confident | 87.3 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | trans | -96.6 | 5.5 | 176.1 | -68.4 | 102.9 | 0 | 0 | 0 | 112.6 | S936 S937 L940 M1354 L1398 G1402 V1404 | L934-S936 PolarHBondContact O-N 2.8Å; L934-S937 CarbonylContact O-C 3.56Å; L934-S937 PolarHBondContact O-N 3.08Å; L934-L940 HydrophobicContact CD2-CB 4.41Å; L934-M1354 HydrophobicContact CD1-SD 4Å; L934-L1398 HydrophobicContact CD1-CB 4.27Å; L934-L1398 HydrophobicContact CD1-CD2 3.75Å; L934-L1398 HydrophobicContact CD2-CB 3.77Å; L934-G1402 WeakPolarHBondContact CA-O 3.47Å; L934-G1402 WeakPolarHBondContact CB-O 2.74Å; L934-G1402 PolarHBondContact N-O 3.39Å; L934-V1404 HydrophobicContact CD1-CG2 4.23Å | ||
| 935 | T | 83.7 | Confident | 87.4 | Confident | 60 Ų | 60 | 40.5 Ų | 40.5 | 37% | 0.368 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -66.1 | -25.4 | 179.7 | 61.1 | 0 | 0 | 0 | 0 | 112.6 | D933 | D933-T935 VanDerWaalsContact CG-OG1 3.29Å; D933-T935 WeakPolarHBondContact OD1-CB 3.45Å; D933-T935 WeakPolarHBondContact OD1-CG2 3.09Å; D933-T935 PolarHBondContact OD1-N 2.83Å; D933-T935 PolarHBondContact OD1-OG1 2.87Å; D933-T935 PolarHBondContact OD2-OG1 2.84Å |
| 936 | S | 81.8 | Confident | 87.4 | Confident | 104 Ų | 104 | 40.4 Ų | 40.4 | 73% | 0.727 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -94.6 | -14.5 | 175.5 | 60.2 | 0 | 0 | 0 | 0 | 114.4 | L934 | L934-S936 PolarHBondContact O-N 2.8Š|
| 937 | S | 83.1 | Confident | 87.4 | Confident | 54 Ų | 54 | 39.2 Ų | 39.2 | 38% | 0.378 | 23% | 0.228 | S | C | . | . | trans | -148 | 123.6 | -169.7 | -60.9 | 0 | 0 | 0 | 0 | 111.1 | L934 T939 | L934-S937 CarbonylContact O-C 3.56Å; L934-S937 PolarHBondContact O-N 3.08Å; S937-T939 VanDerWaalsContact C-N 3.26Å; S937-T939 PolarHBondContact O-N 2.83Å | ||
| 938 | S | 82.2 | Confident | 87.1 | Confident | 89 Ų | 89 | 41.7 Ų | 41.7 | 62% | 0.622 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -69.6 | -22.1 | -176.7 | 57 | 0 | 0 | 0 | 0 | 114.1 | E1399 G1400 | S938-E1399 CarbonylContact O-C 3.52Å; S938-E1399 WeakPolarHBondContact O-CA 3.04Å; S938-G1400 WeakPolarHBondContact CA-O 3.19Å; S938-G1400 PolarHBondContact O-N 2.87Å |
| 939 | T | 87 | Confident | 86.8 | Confident | 74 Ų | 74 | 41.6 Ų | 41.6 | 45% | 0.454 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 131.8 | 179 | 55.8 | 0 | 0 | 0 | 0 | 109.4 | S937 L1398 E1399 | S937-T939 VanDerWaalsContact C-N 3.26Å; S937-T939 PolarHBondContact O-N 2.83Å; T939-L1398 WeakPolarHBondContact CA-O 3.21Å; T939-E1399 HydrophobicContact CG2-CB 4.25Å; T939-E1399 HydrophobicContact CG2-CG 3.97Å |
| 940 | L | 83.5 | Confident | 86.6 | Confident | 47 Ų | 47 | 43.2 Ų | 43.2 | 25% | 0.246 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 127.8 | -179 | -165 | 138.7 | 0 | 0 | 0 | 109.6 | L932 L934 L1398 | L932-L940 HydrophobicContact CD1-CD2 4.11Å; L932-L940 HydrophobicContact CD2-CD2 3.88Å; L932-L940 HydrophobicContact CG-CD2 4.45Å; L934-L940 HydrophobicContact CD2-CB 4.41Å; L940-L1398 PolarHBondContact N-O 2.04Å; L940-L1398 PolarHBondContact O-N 2.92Å |
| 941 | F | 82.3 | Confident | 86.5 | Confident | 151 Ų | 151 | 47.9 Ų | 47.9 | 66% | 0.662 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 124.7 | 171.3 | -69.2 | -80 | 0 | 0 | 0 | 108.5 | K1397 | F941-K1397 HydrophobicContact CD1-CB 4.21Å; F941-K1397 HydrophobicContact CD1-CG 3.91Å; F941-K1397 HydrophobicContact CE1-CB 4.24Å; F941-K1397 HydrophobicContact CE1-CD 3.81Å; F941-K1397 HydrophobicContact CE1-CG 3.67Å; F941-K1397 HydrophobicContact CZ-CD 4.27Å; F941-K1397 HydrophobicContact CZ-CG 4.35Å |
| 942 | V | 80.6 | Confident | 86.4 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 146.6 | 179.3 | -163.4 | 0 | 0 | 0 | 0 | 109.3 | L932 N944 M1396 L1398 L1406 | L932-V942 HydrophobicContact CD1-CB 4.28Å; L932-V942 HydrophobicContact CD1-CG1 3.9Å; L932-V942 HydrophobicContact CD1-CG2 3.45Å; L932-V942 VanDerWaalsContact CD1-CG2 3.45Å; V942-N944 PolarHBondContact O-N 3.26Å; V942-M1396 HydrophobicContact CB-CB 4.1Å; V942-M1396 HydrophobicContact CB-CE 4.36Å; V942-M1396 HydrophobicContact CG1-CE 4.05Å; V942-M1396 HydrophobicContact CG2-CB 3.83Å; V942-M1396 PolarHBondContact N-O 3Å; V942-M1396 VanDerWaalsContact N-O 3.12Å; V942-L1398 HydrophobicContact CG2-CD1 3.07Å; V942-L1406 HydrophobicContact CB-CD1 4.5Å; V942-L1406 HydrophobicContact CG1-CD1 3.95Å; V942-L1406 HydrophobicContact CG2-CD1 3.84Å |
| 943 | N | 85.9 | Confident | 86.2 | Confident | 60 Ų | 60 | 57 Ų | 57 | 32% | 0.321 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 136.5 | 163.8 | -64 | -14.5 | 0 | 0 | 0 | 109.2 | R1271 E1273 | N943-R1271 CarbonylContact C-O 3.5Å; N943-R1271 WeakPolarHBondContact CA-O 3.44Å; N943-R1271 HydrophobicContact CB-CB 4.35Å; N943-R1271 HydrophobicContact CB-CG 4.48Å; N943-R1271 WeakPolarHBondContact CB-O 3.11Å; N943-R1271 WeakPolarHBondContact ND2-CD 3.33Å; N943-E1273 HydrophobicContact CB-CG 3.87Å; N943-E1273 PolarHBondContact ND2-OE1 2.84Å |
| 944 | N | 90.2 | Very high | 86.2 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.032 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 141.2 | -176 | -62.4 | -8.2 | 0 | 0 | 0 | 109.6 | V942 R1271 I1272 E1273 D1393 I1394 T1395 | V942-N944 PolarHBondContact O-N 3.26Å; N944-R1271 PolarHBondContact N-O 2.93Å; N944-I1272 HydrophobicContact CB-CG1 4.25Å; N944-I1272 HydrophobicContact CB-CG2 4.32Å; N944-I1272 CarbonylContact O-C 3.59Å; N944-I1272 VanDerWaalsContact O-CA 3.25Å; N944-I1272 WeakPolarHBondContact O-CA 3.5Å; N944-I1272 WeakPolarHBondContact O-CG2 3.37Å; N944-E1273 PolarHBondContact O-N 3.17Å; N944-D1393 HydrophobicContact CB-CB 4.2Å; N944-D1393 PolarHBondContact ND2-OD2 3.27Å; N944-I1394 CarbonylContact C-O 3.59Å; N944-I1394 VanDerWaalsContact CA-O 3.28Å; N944-I1394 WeakPolarHBondContact CA-O 3.48Å; N944-T1395 WeakPolarHBondContact ND2-CG2 3.38Å; N944-T1395 WeakPolarHBondContact OD1-CG2 3.4Å |
| 945 | F | 92.3 | Very high | 86 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 123.6 | 174.6 | -71 | -11.7 | 0 | 0 | 0 | 110.5 | T928 L972 E1273 D1393 I1394 M1396 L1406 L1408 | T928-F945 HydrophobicContact CG2-CD1 3.9Å; T928-F945 HydrophobicContact CG2-CE1 3.97Å; T928-F945 HydrophobicContact CG2-CG 4.25Å; T928-F945 HydrophobicContact CG2-CZ 4.36Å; F945-L972 HydrophobicContact CD2-CD1 4.25Å; F945-L972 HydrophobicContact CE2-CD1 4.26Å; F945-E1273 HydrophobicContact CD1-CB 4.19Å; F945-E1273 HydrophobicContact CD1-CG 4.41Å; F945-E1273 HydrophobicContact CE1-CG 4.46Å; F945-D1393 CarbonylContact O-C 3.58Å; F945-D1393 VanDerWaalsContact O-CA 3.26Å; F945-D1393 WeakPolarHBondContact O-CA 3.39Å; F945-I1394 HydrophobicContact CB-CB 4.47Å; F945-I1394 PolarHBondContact N-O 2.77Å; F945-I1394 PolarHBondContact O-N 3.39Å; F945-M1396 HydrophobicContact CD1-CE 4.27Å; F945-M1396 HydrophobicContact CD2-CE 3.54Å; F945-M1396 HydrophobicContact CE1-CE 4.34Å; F945-M1396 HydrophobicContact CE2-CE 3.65Å; F945-M1396 HydrophobicContact CG-CE 3.9Å; F945-M1396 HydrophobicContact CZ-CE 4.07Å; F945-L1406 HydrophobicContact CE2-CB 3.98Å; F945-L1406 HydrophobicContact CZ-CB 4.02Å; F945-L1408 HydrophobicContact CB-CD2 3.73Å; F945-L1408 HydrophobicContact CD2-CB 3.69Å; F945-L1408 HydrophobicContact CD2-CD2 4.39Å; F945-L1408 HydrophobicContact CE2-CB 4.25Å; F945-L1408 HydrophobicContact CG-CB 4.48Å |
| 946 | K | 92.1 | Very high | 85.9 | Confident | 57 Ų | 57 | 61.6 Ų | 61.6 | 25% | 0.248 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 134 | 175.7 | -162.2 | -179.4 | -172.2 | 164 | 0 | 111.3 | E1264 I1272 E1273 N1274 | K946-E1264 WeakPolarHBondContact CD-OE1 3.13Å; K946-E1264 WeakPolarHBondContact CE-OE1 3.37Å; K946-E1264 IonicContact NZ-OE1 3.68Å; K946-E1264 PolarHBondContact NZ-OE1 3.36Å; K946-E1264 IonicContact NZ-OE2 2.85Å; K946-E1264 PolarHBondContact NZ-OE2 2.94Å; K946-I1272 HydrophobicContact CB-CG2 3.68Å; K946-I1272 HydrophobicContact CG-CG2 4.34Å; K946-E1273 WeakPolarHBondContact CB-O 3.37Å; K946-E1273 PolarHBondContact N-O 3.03Å; K946-N1274 WeakPolarHBondContact CD-OD1 3.39Å; K946-N1274 PolarHBondContact NZ-OD1 3.45Å |
| 947 | I | 90.3 | Very high | 86 | Confident | 5 Ų | 5 | 66.5 Ų | 66.5 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 110.4 | 166.6 | -59.1 | 170.2 | 0 | 0 | 0 | 107.4 | V949 I1360 V1390 G1392 I1394 L1408 | I947-V949 HydrophobicContact CG2-CB 3.87Å; I947-V949 HydrophobicContact CG2-CG2 3.77Å; I947-V949 PolarHBondContact O-N 2.88Å; I947-I1360 HydrophobicContact CD1-CD1 3.9Å; I947-I1360 HydrophobicContact CD1-CG1 4.42Å; I947-V1390 HydrophobicContact CD1-CG1 4.39Å; I947-V1390 HydrophobicContact CG2-CG1 3.68Å; I947-G1392 PolarHBondContact N-O 2.84Å; I947-I1394 HydrophobicContact CD1-CD1 4.11Å; I947-I1394 HydrophobicContact CD1-CG1 4Å; I947-I1394 HydrophobicContact CG1-CD1 4.33Å; I947-I1394 HydrophobicContact CG1-CG1 4.38Å; I947-L1408 HydrophobicContact CG1-CD2 4.08Å |
| 948 | I | 86 | Confident | 85.8 | Confident | 62 Ų | 62 | 71.6 Ų | 71.6 | 32% | 0.318 | 36% | 0.36 | S | S | . | . | trans | -76.8 | 53.9 | 174.5 | -51.5 | -174.4 | 0 | 0 | 0 | 110.5 | Y926 P1275 | Y926-I948 HydrophobicContact CD1-CD1 4.42Å; I948-P1275 HydrophobicContact CB-CG 4.38Å; I948-P1275 VanDerWaalsContact CD1-CD 3.44Å; I948-P1275 HydrophobicContact CD1-CG 3.1Å; I948-P1275 VanDerWaalsContact CG1-CD 3.49Å; I948-P1275 HydrophobicContact CG1-CG 3.4Å; I948-P1275 VanDerWaalsContact CG1-CG 3.4Å | ||
| 949 | V | 86.5 | Confident | 85.4 | Confident | 8 Ų | 8 | 79 Ų | 79 | 5% | 0.048 | 37% | 0.374 | C | S | . | . | trans | -119.5 | 116.7 | 168.2 | 179.6 | 0 | 0 | 0 | 0 | 106.4 | I947 F963 Q968 V1390 V1412 | I947-V949 HydrophobicContact CG2-CB 3.87Å; I947-V949 HydrophobicContact CG2-CG2 3.77Å; I947-V949 PolarHBondContact O-N 2.88Å; V949-F963 HydrophobicContact CG1-CE1 4.1Å; V949-F963 HydrophobicContact CG1-CE2 4.3Å; V949-F963 HydrophobicContact CG1-CZ 3.95Å; V949-Q968 HydrophobicContact CG1-CB 3.74Å; V949-Q968 HydrophobicContact CG1-CG 4.25Å; V949-Q968 HydrophobicContact CG2-CB 4.22Å; V949-V1390 WeakPolarHBondContact CB-O 3.49Å; V949-V1390 WeakPolarHBondContact CG1-O 3.42Å; V949-V1390 HydrophobicContact CG2-CG1 4.42Å; V949-V1412 HydrophobicContact CG2-CB 4.25Å | ||
| 950 | P | 87.5 | Confident | 85.1 | Confident | 48 Ų | 48 | 78.1 Ų | 78.1 | 31% | 0.312 | 37% | 0.366 | S | S | . | . | trans | -59.6 | 141.3 | 176.2 | -21.3 | 31.5 | 0 | 0 | 0 | 110.9 | K952 R962 F963 | P950-K952 PolarHBondContact O-N 3.38Å; P950-R962 HydrophobicContact CG-CB 4.48Å; P950-F963 HydrophobicContact CB-CE1 4.19Å; P950-F963 HydrophobicContact CG-CD1 4.4Å; P950-F963 HydrophobicContact CG-CE1 4.37Å; P950-F963 WeakPolarHBondContact O-CE1 3.33Å; P950-F963 WeakPolarHBondContact O-CZ 3.45Å | ||
| 951 | Q | 87.1 | Confident | 85.2 | Confident | 120 Ų | 120 | 78.7 Ų | 78.7 | 56% | 0.561 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -57.4 | -35.2 | 177.2 | -176.2 | -175.8 | 22.6 | 0 | 0 | 113 | W1391 | Q951-W1391 HydrophobicContact CB-CD2 3.97Å; Q951-W1391 HydrophobicContact CB-CE3 4.03Å; Q951-W1391 HydrophobicContact CB-CG 4.18Å; Q951-W1391 HydrophobicContact CG-CD2 3.72Å; Q951-W1391 HydrophobicContact CG-CE3 3.97Å; Q951-W1391 HydrophobicContact CG-CG 4.18Å; Q951-W1391 HydrophobicContact CG-CH2 4.32Å; Q951-W1391 HydrophobicContact CG-CZ2 4.08Å; Q951-W1391 HydrophobicContact CG-CZ3 4.26Å; Q951-W1391 VanDerWaalsContact NE2-CH2 3.34Å |
| 952 | K | 87.4 | Confident | 85.4 | Confident | 137 Ų | 137 | 76.3 Ų | 76.3 | 60% | 0.596 | 35% | 0.354 | S | S | * | . | trans | -112.1 | 129 | 178.2 | -65.8 | -176 | -179.8 | 179.6 | 0 | 110.1 | P950 | P950-K952 PolarHBondContact O-N 3.38Š| ||
| 953 | F | 86.7 | Confident | 85.9 | Confident | 80 Ų | 80 | 76.3 Ų | 76.3 | 35% | 0.351 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -77.2 | -25.3 | 174.3 | 67.5 | -86.2 | 0 | 0 | 0 | 112.5 | H961 R962 F963 P965 | F953-H961 AromaticContact CD2-CD2 3.69Å; F953-H961 AromaticContact CE2-CD2 3.95Å; F953-H961 CarbonylContact O-C 3.55Å; F953-H961 WeakPolarHBondContact O-CA 3.37Å; F953-R962 PolarHBondContact O-N 3.39Å; F953-F963 VanDerWaalsContact CA-CE1 3.46Å; F953-F963 HydrophobicContact CB-CD1 4.12Å; F953-F963 HydrophobicContact CB-CD2 4.17Å; F953-F963 HydrophobicContact CB-CE1 3.71Å; F953-F963 HydrophobicContact CB-CE2 3.77Å; F953-F963 HydrophobicContact CB-CG 4.33Å; F953-F963 HydrophobicContact CB-CZ 3.54Å; F953-P965 HydrophobicContact CD1-CB 4.26Å; F953-P965 HydrophobicContact CD2-CB 4.07Å; F953-P965 HydrophobicContact CD2-CG 4.2Å; F953-P965 HydrophobicContact CE1-CB 4.46Å; F953-P965 HydrophobicContact CE2-CB 4.26Å; F953-P965 HydrophobicContact CE2-CG 4.26Å; F953-P965 HydrophobicContact CG-CB 4.07Å; F953-P965 HydrophobicContact CZ-CB 4.46Å |
| 954 | T | 87.3 | Confident | 86 | Confident | 63 Ų | 63 | 73.7 Ų | 73.7 | 39% | 0.387 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -84 | 142.7 | 177.9 | 54.4 | 0 | 0 | 0 | 0 | 111.9 | ||
| 955 | I | 82.4 | Confident | 85.8 | Confident | 26 Ų | 26 | 75.8 Ų | 75.8 | 13% | 0.133 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -94.6 | 122.1 | 165.1 | -55.2 | 175.8 | 0 | 0 | 0 | 106.7 | E957 R958 L960 R962 M1419 | I955-E957 PolarHBondContact O-N 3Å; I955-R958 HydrophobicContact CB-CB 4.16Å; I955-R958 HydrophobicContact CG2-CB 4.24Å; I955-R958 HydrophobicContact CG2-CG 4.13Å; I955-R958 PolarHBondContact O-N 2.74Å; I955-R958 VanDerWaalsContact O-O 3.04Å; I955-L960 HydrophobicContact CD1-CB 4.33Å; I955-R962 HydrophobicContact CD1-CG 3.98Å; I955-R962 HydrophobicContact CG1-CG 3.5Å; I955-R962 VanDerWaalsContact CG1-CG 3.5Å; I955-M1419 HydrophobicContact CD1-CE 3.89Å |
| 956 | P | 81.6 | Confident | 85.5 | Confident | 95 Ų | 95 | 76.8 Ų | 76.8 | 62% | 0.617 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | 139.8 | 174 | -24.8 | 33.5 | 0 | 0 | 0 | 110.7 | R958 | P956-R958 PolarHBondContact O-N 3.44Š|
| 957 | E | 83.1 | Confident | 85.4 | Confident | 206 Ų | 206 | 74.6 Ų | 74.6 | 96% | 0.963 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | -4.4 | 178.9 | -51.2 | 171.8 | 179.7 | 0 | 0 | 116.5 | I955 | I955-E957 PolarHBondContact O-N 3Š|
| 958 | R | 79.1 | Confident | 85.4 | Confident | 161 Ų | 161 | 75.1 Ų | 75.1 | 61% | 0.608 | 36% | 0.358 | S | S | * | . | trans | -117.9 | 146 | 176.3 | -55.5 | -173 | -176.8 | -177 | -1.9 | 110.9 | I955 P956 L960 | I955-R958 HydrophobicContact CB-CB 4.16Å; I955-R958 HydrophobicContact CG2-CB 4.24Å; I955-R958 HydrophobicContact CG2-CG 4.13Å; I955-R958 PolarHBondContact O-N 2.74Å; I955-R958 VanDerWaalsContact O-O 3.04Å; P956-R958 PolarHBondContact O-N 3.44Å; R958-L960 HydrophobicContact CB-CB 4.38Å; R958-L960 PolarHBondContact O-N 3.22Å | ||
| 959 | R | 74.3 | Confident | 85.6 | Confident | 244 Ų | 244 | 76 Ų | 76 | 92% | 0.921 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -78.4 | 3.6 | 170.3 | -68.6 | -173.9 | 178.3 | 179.8 | -0.2 | 113.5 | ||
| 960 | L | 80 | Confident | 85.9 | Confident | 56 Ų | 56 | 75.7 Ų | 75.7 | 29% | 0.293 | 36% | 0.357 | S | S | . | . | trans | -85.5 | 131.5 | -177.6 | -61 | 171.1 | 0 | 0 | 0 | 109.9 | I955 R958 Y1416 | I955-L960 HydrophobicContact CD1-CB 4.33Å; R958-L960 HydrophobicContact CB-CB 4.38Å; R958-L960 PolarHBondContact O-N 3.22Å; L960-Y1416 HydrophobicContact CB-CE2 4.17Å; L960-Y1416 HydrophobicContact CD2-CD1 3.78Å; L960-Y1416 HydrophobicContact CD2-CD2 4.17Å; L960-Y1416 HydrophobicContact CD2-CE1 3.26Å; L960-Y1416 HydrophobicContact CD2-CE2 3.73Å; L960-Y1416 HydrophobicContact CD2-CG 4.2Å | ||
| 961 | H | 85.6 | Confident | 86.1 | Confident | 60 Ų | 60 | 75.1 Ų | 75.1 | 28% | 0.278 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -85.5 | 137.5 | 168.4 | -51.3 | 124.2 | 0 | 0 | 0 | 110.2 | F953 F963 E1415 | F953-H961 AromaticContact CD2-CD2 3.69Å; F953-H961 AromaticContact CE2-CD2 3.95Å; F953-H961 CarbonylContact O-C 3.55Å; F953-H961 WeakPolarHBondContact O-CA 3.37Å; H961-F963 VanDerWaalsContact C-N 3.25Å; H961-F963 WeakPolarHBondContact CB-O 3.49Å; H961-E1415 IonicContact ND1-OE2 2.79Å |
| 962 | R | 87.5 | Confident | 86.4 | Confident | 101 Ų | 101 | 69.4 Ų | 69.4 | 38% | 0.381 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -64.4 | -36.1 | 169.6 | -65.5 | -174.4 | 174.4 | 179.7 | -4 | 111.1 | P950 F953 I955 | P950-R962 HydrophobicContact CG-CB 4.48Å; F953-R962 PolarHBondContact O-N 3.39Å; I955-R962 HydrophobicContact CD1-CG 3.98Å; I955-R962 HydrophobicContact CG1-CG 3.5Å; I955-R962 VanDerWaalsContact CG1-CG 3.5Å |
| 963 | F | 90.5 | Very high | 86.6 | Confident | 8 Ų | 8 | 62.9 Ų | 62.9 | 4% | 0.035 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -153.4 | 162.4 | 175.4 | 59.2 | -85.8 | 0 | 0 | 0 | 109.9 | V949 P950 F953 H961 Q968 V1412 N1413 | V949-F963 HydrophobicContact CG1-CE1 4.1Å; V949-F963 HydrophobicContact CG1-CE2 4.3Å; V949-F963 HydrophobicContact CG1-CZ 3.95Å; P950-F963 HydrophobicContact CB-CE1 4.19Å; P950-F963 HydrophobicContact CG-CD1 4.4Å; P950-F963 HydrophobicContact CG-CE1 4.37Å; P950-F963 WeakPolarHBondContact O-CE1 3.33Å; P950-F963 WeakPolarHBondContact O-CZ 3.45Å; F953-F963 VanDerWaalsContact CA-CE1 3.46Å; F953-F963 HydrophobicContact CB-CD1 4.12Å; F953-F963 HydrophobicContact CB-CD2 4.17Å; F953-F963 HydrophobicContact CB-CE1 3.71Å; F953-F963 HydrophobicContact CB-CE2 3.77Å; F953-F963 HydrophobicContact CB-CG 4.33Å; F953-F963 HydrophobicContact CB-CZ 3.54Å; H961-F963 VanDerWaalsContact C-N 3.25Å; H961-F963 WeakPolarHBondContact CB-O 3.49Å; F963-Q968 HydrophobicContact CE2-CG 4.49Å; F963-V1412 HydrophobicContact CB-CG2 3.23Å; F963-V1412 HydrophobicContact CD1-CG2 4.47Å; F963-V1412 HydrophobicContact CD2-CG2 3.84Å; F963-V1412 HydrophobicContact CG-CG2 3.63Å; F963-N1413 CarbonylContact C-O 3.59Å; F963-N1413 VanDerWaalsContact CA-O 3.24Å; F963-N1413 WeakPolarHBondContact CA-O 3.47Å; F963-N1413 WeakPolarHBondContact CB-O 3.19Å |
| 964 | V | 88.6 | Confident | 86.9 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.024 | 28% | 0.28 | C | S | . | . | trans | -70.7 | 121.1 | 177.1 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | N920 G966 S967 N1413 E1415 | N920-V964 HydrophobicContact CB-CG1 4.17Å; N920-V964 HydrophobicContact CB-CG2 4.47Å; N920-V964 VanDerWaalsContact O-CG2 3.26Å; N920-V964 WeakPolarHBondContact O-CG2 3.37Å; V964-G966 PolarHBondContact O-N 2.82Å; V964-S967 VanDerWaalsContact O-CB 3.24Å; V964-S967 WeakPolarHBondContact O-CB 3.49Å; V964-S967 PolarHBondContact O-N 2.85Å; V964-S967 PolarHBondContact O-OG 2.82Å; V964-N1413 HydrophobicContact CB-CB 4.16Å; V964-N1413 HydrophobicContact CG2-CB 4.16Å; V964-N1413 PolarHBondContact N-O 3.27Å; V964-E1415 HydrophobicContact CG2-CG 3.49Å; V964-E1415 VanDerWaalsContact CG2-CG 3.49Å | ||
| 965 | P | 86.9 | Confident | 87.1 | Confident | 51 Ų | 51 | 56.1 Ų | 56.1 | 33% | 0.331 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 130.2 | -177.2 | 24.7 | -33.6 | 0 | 0 | 0 | 111.1 | F953 S967 | F953-P965 HydrophobicContact CD1-CB 4.26Å; F953-P965 HydrophobicContact CD2-CB 4.07Å; F953-P965 HydrophobicContact CD2-CG 4.2Å; F953-P965 HydrophobicContact CE1-CB 4.46Å; F953-P965 HydrophobicContact CE2-CB 4.26Å; F953-P965 HydrophobicContact CE2-CG 4.26Å; F953-P965 HydrophobicContact CG-CB 4.07Å; F953-P965 HydrophobicContact CZ-CB 4.46Å; P965-S967 VanDerWaalsContact C-N 3.32Å |
| 966 | G | 85.5 | Confident | 87.3 | Confident | 21 Ų | 21 | 54.9 Ų | 54.9 | 22% | 0.216 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -3.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V964 Q968 | V964-G966 PolarHBondContact O-N 2.82Å; G966-Q968 VanDerWaalsContact C-N 3.33Å; G966-Q968 VanDerWaalsContact CA-OE1 3.26Å |
| 967 | S | 89.8 | Confident | 87.5 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | trans | -80.6 | -14 | 174.7 | 69.5 | 0 | 0 | 0 | 0 | 114.1 | V964 P965 N1413 | V964-S967 VanDerWaalsContact O-CB 3.24Å; V964-S967 WeakPolarHBondContact O-CB 3.49Å; V964-S967 PolarHBondContact O-N 2.85Å; V964-S967 PolarHBondContact O-OG 2.82Å; P965-S967 VanDerWaalsContact C-N 3.32Å; S967-N1413 PolarHBondContact OG-N 3.45Å | ||
| 968 | Q | 90.2 | Very high | 87.6 | Confident | 16 Ų | 16 | 40.6 Ų | 40.6 | 8% | 0.075 | 18% | 0.181 | C | C | . | . | trans | -71.2 | 131.3 | -178 | 67.2 | -78.6 | 6.3 | 0 | 0 | 111.3 | V949 F963 G966 P1387 V1390 E1411 V1412 | V949-Q968 HydrophobicContact CG1-CB 3.74Å; V949-Q968 HydrophobicContact CG1-CG 4.25Å; V949-Q968 HydrophobicContact CG2-CB 4.22Å; F963-Q968 HydrophobicContact CE2-CG 4.49Å; G966-Q968 VanDerWaalsContact C-N 3.33Å; G966-Q968 VanDerWaalsContact CA-OE1 3.26Å; Q968-P1387 VanDerWaalsContact CD-O 3.3Å; Q968-P1387 WeakPolarHBondContact CG-O 3.47Å; Q968-P1387 PolarHBondContact NE2-O 2.86Å; Q968-V1390 HydrophobicContact CB-CB 4.29Å; Q968-V1390 HydrophobicContact CB-CG1 4.5Å; Q968-V1390 HydrophobicContact CG-CB 3.88Å; Q968-V1390 HydrophobicContact CG-CG2 4.46Å; Q968-E1411 WeakPolarHBondContact CA-O 3.49Å; Q968-V1412 HydrophobicContact CB-CG2 4.5Å | ||
| 969 | K | 90.6 | Very high | 87.9 | Confident | 82 Ų | 82 | 33 Ų | 33 | 36% | 0.357 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 134.7 | 178.3 | -173.4 | -162.3 | -168.9 | -173 | 0 | 108.9 | I971 A1410 E1411 | K969-I971 HydrophobicContact CD-CD1 4.39Å; K969-I971 HydrophobicContact CD-CG1 4.5Å; K969-I971 HydrophobicContact CG-CG1 4.45Å; K969-A1410 CarbonylContact O-C 3.55Å; K969-A1410 WeakPolarHBondContact O-CA 3.32Å; K969-E1411 HydrophobicContact CB-CG 3.77Å; K969-E1411 HydrophobicContact CD-CG 4.12Å; K969-E1411 WeakPolarHBondContact CD-OE1 3.24Å; K969-E1411 PolarHBondContact N-O 2.88Å; K969-E1411 IonicContact NZ-OE1 3.03Å; K969-E1411 PolarHBondContact NZ-OE1 2.99Å; K969-E1411 PolarHBondContact O-N 2.9Å |
| 970 | A | 92 | Very high | 88.4 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 135.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | F1385 V1390 L1408 D1409 | A970-F1385 HydrophobicContact CB-CD2 3.83Å; A970-F1385 WeakPolarHBondContact O-CD2 3.43Å; A970-F1385 PolarHBondContact O-N 3.17Å; A970-V1390 HydrophobicContact CB-CG1 3.46Å; A970-V1390 VanDerWaalsContact CB-CG1 3.46Å; A970-V1390 HydrophobicContact CB-CG2 4.43Å; A970-L1408 HydrophobicContact CB-CD1 4.2Å; A970-D1409 CarbonylContact C-O 3.59Å; A970-D1409 VanDerWaalsContact CA-O 3.29Å; A970-D1409 WeakPolarHBondContact CA-O 3.39Å |
| 971 | I | 92.5 | Very high | 88.5 | Confident | 37 Ų | 37 | 19 Ų | 19 | 19% | 0.19 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 115.8 | 178.6 | -47.7 | -177.7 | 0 | 0 | 0 | 107.4 | K969 H1382 T1383 T1384 D1409 | K969-I971 HydrophobicContact CD-CD1 4.39Å; K969-I971 HydrophobicContact CD-CG1 4.5Å; K969-I971 HydrophobicContact CG-CG1 4.45Å; I971-H1382 HydrophobicContact CG2-CB 4.01Å; I971-T1383 WeakPolarHBondContact CA-O 3.48Å; I971-T1384 HydrophobicContact CD1-CG2 4.49Å; I971-T1384 HydrophobicContact CG1-CG2 4.2Å; I971-T1384 HydrophobicContact CG2-CG2 4.31Å; I971-D1409 PolarHBondContact N-O 2.99Å; I971-D1409 PolarHBondContact O-N 3.34Å |
| 972 | L | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 123.3 | 168.4 | 179.9 | 67.3 | 0 | 0 | 0 | 108.3 | F945 V974 E1358 H1382 T1383 F1385 I1394 M1396 Q1407 L1408 | F945-L972 HydrophobicContact CD2-CD1 4.25Å; F945-L972 HydrophobicContact CE2-CD1 4.26Å; L972-V974 HydrophobicContact CD2-CG2 4.48Å; L972-V974 HydrophobicContact CG-CG2 4.22Å; L972-E1358 VanDerWaalsContact CD2-CD 3.49Å; L972-E1358 HydrophobicContact CD2-CG 3.99Å; L972-E1358 VanDerWaalsContact CD2-OE1 3.25Å; L972-E1358 WeakPolarHBondContact CD2-OE1 3.49Å; L972-H1382 CarbonylContact O-C 3.56Å; L972-H1382 WeakPolarHBondContact O-CA 3.39Å; L972-T1383 PolarHBondContact N-O 2.83Å; L972-T1383 PolarHBondContact O-N 2.83Å; L972-F1385 HydrophobicContact CB-CE2 3.83Å; L972-F1385 HydrophobicContact CB-CZ 4.15Å; L972-F1385 HydrophobicContact CD2-CZ 4.48Å; L972-I1394 HydrophobicContact CD2-CG2 4.42Å; L972-M1396 HydrophobicContact CD1-SD 3.95Å; L972-M1396 HydrophobicContact CD2-SD 3.7Å; L972-M1396 HydrophobicContact CG-SD 4.46Å; L972-Q1407 CarbonylContact C-O 3.58Å; L972-Q1407 WeakPolarHBondContact CA-O 3.44Å; L972-L1408 HydrophobicContact CB-CD1 4.46Å |
| 973 | S | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 125.7 | 177.2 | -54.4 | 0 | 0 | 0 | 0 | 108.5 | H1382 Q1407 | S973-H1382 PolarHBondContact OG-CE1 3.42Å; S973-H1382 PolarHBondContact OG-ND1 3.15Å; S973-Q1407 PolarHBondContact N-O 2.94Å; S973-Q1407 PolarHBondContact O-N 3.36Å |
| 974 | V | 92 | Very high | 88.4 | Confident | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 129 | -180 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | L972 I1356 I1370 I1372 T1381 V1404 L1406 | L972-V974 HydrophobicContact CD2-CG2 4.48Å; L972-V974 HydrophobicContact CG-CG2 4.22Å; V974-I1356 HydrophobicContact CG1-CD1 3.34Å; V974-I1370 HydrophobicContact CB-CD1 4.45Å; V974-I1370 HydrophobicContact CG2-CD1 4.07Å; V974-I1372 HydrophobicContact CG1-CD1 3.67Å; V974-T1381 WeakPolarHBondContact CB-OG1 3.44Å; V974-T1381 PolarHBondContact N-O 3.45Å; V974-T1381 PolarHBondContact O-N 2.84Å; V974-T1381 PolarHBondContact O-OG1 2.74Å; V974-V1404 HydrophobicContact CG1-CG1 3.92Å; V974-L1406 HydrophobicContact CB-CD2 4.23Å; V974-L1406 HydrophobicContact CG1-CD2 3.95Å; V974-L1406 HydrophobicContact CG2-CD2 3.68Å |
| 975 | V | 91.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 134.1 | 176.3 | -173.8 | 0 | 0 | 0 | 0 | 109.4 | D977 G980 V1380 V1404 L1405 | V975-D977 HydrophobicContact CG1-CB 4.47Å; V975-D977 PolarHBondContact O-N 3.01Å; V975-D977 VanDerWaalsContact O-N 3.12Å; V975-G980 WeakPolarHBondContact CG1-O 3.35Å; V975-V1380 HydrophobicContact CG2-CB 3.97Å; V975-V1380 HydrophobicContact CG2-CG2 3.9Å; V975-V1404 CarbonylContact O-C 3.58Å; V975-V1404 WeakPolarHBondContact O-CA 3.28Å; V975-V1404 WeakPolarHBondContact O-CG1 3.49Å; V975-L1405 HydrophobicContact CB-CB 4.5Å; V975-L1405 PolarHBondContact N-O 3.16Å; V975-L1405 PolarHBondContact O-N 2.96Å |
| 976 | G | 88 | Confident | 87.9 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -79.7 | 26.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y1352 Y1377 R1403 | G976-Y1352 WeakPolarHBondContact O-CD2 3.19Å; G976-Y1352 WeakPolarHBondContact O-CE2 3.17Å; G976-Y1377 CarbonylContact C-O 3.54Å; G976-Y1377 VanDerWaalsContact CA-O 3.23Å; G976-Y1377 WeakPolarHBondContact CA-O 3.47Å; G976-Y1377 PolarHBondContact N-O 2.95Å; G976-R1403 CarbonylContact C-O 3.57Å; G976-R1403 WeakPolarHBondContact CA-O 3.35Å; G976-R1403 VanDerWaalsContact O-O 3.09Å |
| 977 | D | 85.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -157.4 | 156.3 | 179.1 | -151.9 | -20.1 | 0 | 0 | 0 | 110.6 | V975 I979 Y1019 R1349 Y1377 L1405 | V975-D977 HydrophobicContact CG1-CB 4.47Å; V975-D977 PolarHBondContact O-N 3.01Å; V975-D977 VanDerWaalsContact O-N 3.12Å; D977-I979 HydrophobicContact CB-CG2 4.28Å; D977-Y1019 WeakPolarHBondContact OD2-CE2 3.11Å; D977-Y1019 PolarHBondContact OD2-OH 3.46Å; D977-R1349 VanDerWaalsContact CG-NH2 3.33Å; D977-R1349 IonicContact OD1-NH2 3.36Å; D977-R1349 PolarHBondContact OD1-NH2 3.11Å; D977-R1349 VanDerWaalsContact OD1-NH2 3.14Å; D977-R1349 IonicContact OD2-CZ 3.86Å; D977-R1349 VanDerWaalsContact OD2-CZ 3.25Å; D977-R1349 IonicContact OD2-NE 3.36Å; D977-R1349 IonicContact OD2-NH1 3.07Å; D977-R1349 IonicContact OD2-NH2 2.71Å; D977-R1349 PolarHBondContact OD2-NH2 2.91Å; D977-Y1377 HydrophobicContact CB-CD2 4.23Å; D977-L1405 WeakPolarHBondContact O-CB 3.43Å |
| 978 | F | 84.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -13 | -179.9 | 50.1 | -98.9 | 0 | 0 | 0 | 113.6 | F931 G980 V1313 R1320 L1339 F1342 A1343 | F931-F978 HydrophobicContact CD2-CB 4.01Å; F931-F978 HydrophobicContact CE2-CB 3.65Å; F931-F978 HydrophobicContact CE2-CD1 4.21Å; F931-F978 HydrophobicContact CE2-CG 4.44Å; F931-F978 HydrophobicContact CZ-CB 4.11Å; F931-F978 HydrophobicContact CZ-CD1 4.11Å; F978-G980 PolarHBondContact O-N 2.85Å; F978-V1313 HydrophobicContact CB-CG1 3.93Å; F978-V1313 HydrophobicContact CD2-CG1 4.34Å; F978-V1313 HydrophobicContact CG-CG1 4.04Å; F978-R1320 PolarHBondContact O-NH2 3.46Å; F978-L1339 HydrophobicContact CD2-CB 4.31Å; F978-L1339 HydrophobicContact CD2-CD2 3.92Å; F978-L1339 HydrophobicContact CE2-CB 4.47Å; F978-L1339 HydrophobicContact CE2-CD2 4.46Å; F978-L1339 WeakPolarHBondContact CE2-O 3.37Å; F978-F1342 HydrophobicContact CD1-CD1 4.48Å; F978-F1342 HydrophobicContact CD2-CD1 4.23Å; F978-F1342 AromaticContact CE1-CD1 3.76Å; F978-F1342 HydrophobicContact CE1-CD1 3.76Å; F978-F1342 AromaticContact CE1-CE1 3.89Å; F978-F1342 HydrophobicContact CE1-CE1 3.89Å; F978-F1342 HydrophobicContact CE2-CB 4.11Å; F978-F1342 AromaticContact CE2-CD1 3.46Å; F978-F1342 HydrophobicContact CE2-CD1 3.46Å; F978-F1342 VanDerWaalsContact CE2-CD1 3.46Å; F978-F1342 HydrophobicContact CE2-CE1 4.35Å; F978-F1342 HydrophobicContact CE2-CG 4.24Å; F978-F1342 HydrophobicContact CZ-CB 4.22Å; F978-F1342 AromaticContact CZ-CD1 3.14Å; F978-F1342 HydrophobicContact CZ-CD1 3.14Å; F978-F1342 AromaticContact CZ-CE1 3.77Å; F978-F1342 HydrophobicContact CZ-CE1 3.77Å; F978-F1342 HydrophobicContact CZ-CG 4Å; F978-A1343 HydrophobicContact CE2-CB 3.74Å; F978-A1343 HydrophobicContact CZ-CB 3.85Å |
| 979 | I | 86 | Confident | 87.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19.7 | 175 | -157 | 168.9 | 0 | 0 | 0 | 111.7 | D977 L1016 Y1019 R1320 M1336 R1340 | D977-I979 HydrophobicContact CB-CG2 4.28Å; I979-L1016 HydrophobicContact CD1-CD2 4.21Å; I979-L1016 HydrophobicContact CG1-CD2 4.43Å; I979-Y1019 HydrophobicContact CB-CE2 4.47Å; I979-Y1019 HydrophobicContact CD1-CD1 3.9Å; I979-Y1019 HydrophobicContact CD1-CD2 3.44Å; I979-Y1019 VanDerWaalsContact CD1-CD2 3.44Å; I979-Y1019 HydrophobicContact CD1-CE1 4.42Å; I979-Y1019 HydrophobicContact CD1-CE2 3.95Å; I979-Y1019 HydrophobicContact CD1-CG 3.41Å; I979-Y1019 VanDerWaalsContact CD1-CG 3.41Å; I979-Y1019 HydrophobicContact CG2-CD1 4.48Å; I979-Y1019 HydrophobicContact CG2-CE1 4.01Å; I979-Y1019 HydrophobicContact CG2-CE2 4.08Å; I979-R1320 PolarHBondContact O-NH2 3.06Å; I979-M1336 HydrophobicContact CD1-SD 3.74Å; I979-M1336 HydrophobicContact CG1-CE 4.08Å; I979-M1336 HydrophobicContact CG1-SD 3.43Å; I979-M1336 WeakPolarHBondContact CG1-SD 3.38Å; I979-R1340 HydrophobicContact CD1-CB 4.48Å |
| 980 | G | 83.5 | Confident | 87 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | 84.3 | -164.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112 | V975 F978 A982 | V975-G980 WeakPolarHBondContact CG1-O 3.35Å; F978-G980 PolarHBondContact O-N 2.85Å; G980-A982 PolarHBondContact O-N 3.29Å | ||
| 981 | P | 83.7 | Confident | 86.7 | Confident | 8 Ų | 8 | 31.1 Ų | 31.1 | 5% | 0.052 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -61.9 | 112.2 | -174.4 | 27.4 | -37 | 0 | 0 | 0 | 110.5 | V1323 A1324 V1380 | P981-V1323 HydrophobicContact CB-CG1 4.37Å; P981-V1323 WeakPolarHBondContact CD-O 3.33Å; P981-V1323 HydrophobicContact CG-CB 4.47Å; P981-V1323 HydrophobicContact CG-CG1 3.69Å; P981-A1324 HydrophobicContact CG-CB 3.84Å; P981-V1380 HydrophobicContact CB-CB 3.88Å; P981-V1380 HydrophobicContact CB-CG1 3.97Å; P981-V1380 HydrophobicContact CB-CG2 4.47Å |
| 982 | A | 85.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | trans | -81 | 170.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | G980 Y1019 L1020 S1378 | G980-A982 PolarHBondContact O-N 3.29Å; A982-Y1019 HydrophobicContact CB-CD1 4.35Å; A982-Y1019 HydrophobicContact CB-CE1 3.96Å; A982-L1020 HydrophobicContact CB-CD2 3.96Å; A982-L1020 HydrophobicContact CB-CG 4.44Å; A982-S1378 WeakPolarHBondContact CB-O 3.19Å; A982-S1378 PolarHBondContact N-O 2.87Å; A982-S1378 VanDerWaalsContact N-O 3.15Å | ||
| 983 | L | 88.8 | Confident | 85.7 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | trans | -66.6 | 138.8 | 176.6 | -54.4 | 178.9 | 0 | 0 | 0 | 110.7 | F987 A990 L1016 L1017 L1020 V1030 | L983-F987 WeakPolarHBondContact CA-O 3.4Å; L983-F987 HydrophobicContact CD2-CD1 4.03Å; L983-F987 HydrophobicContact CD2-CE1 4.02Å; L983-A990 HydrophobicContact CD2-CB 4.5Å; L983-L1016 HydrophobicContact CD1-CB 4.15Å; L983-L1016 HydrophobicContact CD2-CD1 3.84Å; L983-L1016 HydrophobicContact CG-CB 4.01Å; L983-L1016 HydrophobicContact CG-CD1 4Å; L983-L1017 HydrophobicContact CD1-CD2 3.77Å; L983-L1017 HydrophobicContact CD1-CG 3.89Å; L983-L1020 HydrophobicContact CB-CD1 3.85Å; L983-L1020 WeakPolarHBondContact O-CD1 3.09Å; L983-V1030 HydrophobicContact CB-CG1 3.59Å | ||
| 984 | S | 87 | Confident | 85.3 | Confident | 20 Ų | 20 | 37.7 Ų | 37.7 | 14% | 0.14 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -146.7 | 176.7 | -178.4 | 68.1 | 0 | 0 | 0 | 0 | 111.1 | K986 F987 H988 V1030 | S984-K986 PolarHBondContact O-N 2.74Å; S984-F987 PolarHBondContact N-O 3.1Å; S984-F987 CarbonylContact O-C 3.57Å; S984-F987 PolarHBondContact O-N 3.4Å; S984-F987 VanDerWaalsContact O-N 3.09Å; S984-F987 VanDerWaalsContact O-O 3.04Å; S984-F987 PolarHBondContact OG-N 2.97Å; S984-H988 PolarHBondContact O-N 3.32Å; S984-V1030 VanDerWaalsContact C-CG2 3.49Å |
| 985 | E | 82.3 | Confident | 85 | Confident | 131 Ų | 131 | 37.7 Ų | 37.7 | 61% | 0.612 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -21.5 | 177.8 | -64.1 | -169.6 | 156.2 | 0 | 0 | 114 | H988 V1030 | E985-H988 PolarHBondContact O-CE1 2.77Å; E985-H988 PolarHBondContact O-NE2 3.24Å; E985-H988 VanDerWaalsContact O-NE2 3.17Å; E985-V1030 HydrophobicContact CG-CG2 4.23Å |
| 986 | K | 81.7 | Confident | 84.8 | Confident | 207 Ų | 207 | 38.5 Ų | 38.5 | 90% | 0.9 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -17.7 | 174.3 | -65.4 | -179.4 | -178.6 | 175.6 | 0 | 112.8 | S984 | S984-K986 PolarHBondContact O-N 2.74Š|
| 987 | F | 82.9 | Confident | 84.7 | Confident | 51 Ų | 51 | 42.3 Ų | 42.3 | 22% | 0.224 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -136.6 | 76.3 | -176.8 | -173.5 | -108.6 | 0 | 0 | 0 | 108.7 | L983 S984 Y989 A990 | L983-F987 WeakPolarHBondContact CA-O 3.4Å; L983-F987 HydrophobicContact CD2-CD1 4.03Å; L983-F987 HydrophobicContact CD2-CE1 4.02Å; S984-F987 PolarHBondContact N-O 3.1Å; S984-F987 CarbonylContact O-C 3.57Å; S984-F987 PolarHBondContact O-N 3.4Å; S984-F987 VanDerWaalsContact O-N 3.09Å; S984-F987 VanDerWaalsContact O-O 3.04Å; S984-F987 PolarHBondContact OG-N 2.97Å; F987-Y989 VanDerWaalsContact C-N 3.32Å; F987-Y989 WeakPolarHBondContact CE2-O 3.17Å; F987-Y989 WeakPolarHBondContact CZ-O 3.45Å; F987-Y989 PolarHBondContact O-N 3.2Å; F987-A990 HydrophobicContact CE1-CB 3.83Å; F987-A990 HydrophobicContact CZ-CB 3.68Å |
| 988 | H | 80.9 | Confident | 84.8 | Confident | 59 Ų | 59 | 43 Ų | 43 | 27% | 0.273 | 20% | 0.198 | S | C | . | . | trans | -67.8 | -30.3 | -171 | -65.4 | -57 | 0 | 0 | 0 | 113.8 | S984 E985 N1033 | S984-H988 PolarHBondContact O-N 3.32Å; E985-H988 PolarHBondContact O-CE1 2.77Å; E985-H988 PolarHBondContact O-NE2 3.24Å; E985-H988 VanDerWaalsContact O-NE2 3.17Å; H988-N1033 HydrophobicContact CB-CB 4.04Å | ||
| 989 | Y | 87 | Confident | 84.8 | Confident | 98 Ų | 98 | 43.3 Ų | 43.3 | 38% | 0.384 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -153.6 | 161.3 | -178.2 | 55.2 | -95.9 | 0 | 0 | 0 | 110 | F987 Y1037 | F987-Y989 VanDerWaalsContact C-N 3.32Å; F987-Y989 WeakPolarHBondContact CE2-O 3.17Å; F987-Y989 WeakPolarHBondContact CZ-O 3.45Å; F987-Y989 PolarHBondContact O-N 3.2Å; Y989-Y1037 HydrophobicContact CD1-CD1 4.34Å; Y989-Y1037 HydrophobicContact CD1-CD2 4.18Å; Y989-Y1037 AromaticContact CD1-CG 3.93Å; Y989-Y1037 HydrophobicContact CD1-CG 3.93Å; Y989-Y1037 AromaticContact CD2-CD1 3.7Å; Y989-Y1037 HydrophobicContact CD2-CD1 3.7Å; Y989-Y1037 AromaticContact CD2-CD2 3.79Å; Y989-Y1037 HydrophobicContact CD2-CD2 3.79Å; Y989-Y1037 AromaticContact CD2-CE1 3.48Å; Y989-Y1037 HydrophobicContact CD2-CE1 3.48Å; Y989-Y1037 VanDerWaalsContact CD2-CE1 3.48Å; Y989-Y1037 AromaticContact CD2-CE2 3.63Å; Y989-Y1037 HydrophobicContact CD2-CE2 3.63Å; Y989-Y1037 AromaticContact CD2-CG 3.82Å; Y989-Y1037 HydrophobicContact CD2-CG 3.82Å; Y989-Y1037 AromaticContact CD2-CZ 3.47Å; Y989-Y1037 VanDerWaalsContact CD2-CZ 3.47Å; Y989-Y1037 HydrophobicContact CE1-CD2 4.28Å; Y989-Y1037 HydrophobicContact CE1-CG 4.48Å; Y989-Y1037 AromaticContact CE2-CD2 3.9Å; Y989-Y1037 HydrophobicContact CE2-CD2 3.9Å; Y989-Y1037 HydrophobicContact CE2-CE1 4.31Å; Y989-Y1037 AromaticContact CE2-CE2 3.63Å; Y989-Y1037 HydrophobicContact CE2-CE2 3.63Å; Y989-Y1037 HydrophobicContact CE2-CG 4.38Å; Y989-Y1037 AromaticContact CE2-CZ 3.85Å; Y989-Y1037 AromaticContact CG-CD1 3.55Å; Y989-Y1037 HydrophobicContact CG-CD1 3.55Å; Y989-Y1037 AromaticContact CG-CD2 3.94Å; Y989-Y1037 HydrophobicContact CG-CD2 3.94Å; Y989-Y1037 AromaticContact CG-CE1 3.83Å; Y989-Y1037 HydrophobicContact CG-CE1 3.83Å; Y989-Y1037 HydrophobicContact CG-CE2 4.26Å; Y989-Y1037 AromaticContact CG-CG 3.58Å; Y989-Y1037 HydrophobicContact CG-CG 3.58Å |
| 990 | A | 85.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -111.4 | 121.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L983 F987 I995 Y1012 N1013 L1016 | L983-A990 HydrophobicContact CD2-CB 4.5Å; F987-A990 HydrophobicContact CE1-CB 3.83Å; F987-A990 HydrophobicContact CZ-CB 3.68Å; A990-I995 HydrophobicContact CB-CD1 3.53Å; A990-I995 HydrophobicContact CB-CG1 3.74Å; A990-Y1012 HydrophobicContact CB-CD1 3.9Å; A990-Y1012 HydrophobicContact CB-CE1 3.83Å; A990-N1013 WeakPolarHBondContact CB-OD1 3.32Å; A990-N1013 PolarHBondContact N-OD1 2.85Å; A990-N1013 PolarHBondContact O-ND2 3.01Å; A990-L1016 HydrophobicContact CB-CD1 4.42Å | ||
| 991 | D | 85.7 | Confident | 84.4 | Confident | 36 Ų | 36 | 44.2 Ų | 44.2 | 19% | 0.193 | 20% | 0.204 | C | C | . | . | trans | -99.5 | 146.4 | 177.2 | -178.8 | -37.1 | 0 | 0 | 0 | 109.4 | Q993 N994 I995 | D991-Q993 PolarHBondContact O-N 2.74Å; D991-Q993 PolarHBondContact OD1-N 2.78Å; D991-N994 HydrophobicContact CB-CB 4.44Å; D991-N994 PolarHBondContact O-N 3.3Å; D991-I995 WeakPolarHBondContact O-CD1 3.37Å; D991-I995 VanDerWaalsContact O-CG1 3.25Å; D991-I995 WeakPolarHBondContact O-CG1 3.22Å; D991-I995 PolarHBondContact O-N 2.81Å | ||
| 992 | T | 84 | Confident | 84.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -49 | -41.4 | 175.5 | -53.7 | 0 | 0 | 0 | 0 | 112.8 | N994 I995 L996 R997 E1009 | T992-N994 VanDerWaalsContact C-N 3.32Å; T992-N994 PolarHBondContact O-N 2.86Å; T992-I995 PolarHBondContact O-N 2.98Å; T992-L996 HydrophobicContact CG2-CD1 4.22Å; T992-L996 PolarHBondContact O-N 3Å; T992-R997 PolarHBondContact O-N 2.64Å; T992-E1009 VanDerWaalsContact CB-OE1 3.29Å; T992-E1009 WeakPolarHBondContact CB-OE1 3.29Å; T992-E1009 PolarHBondContact N-OE1 3.41Å; T992-E1009 VanDerWaalsContact OG1-CD 3.26Å; T992-E1009 WeakPolarHBondContact OG1-CG 3.48Å; T992-E1009 PolarHBondContact OG1-OE1 3.03Å |
| 993 | Q | 82.1 | Confident | 84.8 | Confident | 85 Ų | 85 | 43.8 Ų | 43.8 | 40% | 0.397 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.1 | -36.3 | 179.8 | -65.8 | -171.7 | 6 | 0 | 0 | 112 | D991 R997 | D991-Q993 PolarHBondContact O-N 2.74Å; D991-Q993 PolarHBondContact OD1-N 2.78Å; Q993-R997 VanDerWaalsContact O-CA 3.26Å; Q993-R997 WeakPolarHBondContact O-CA 3.32Å; Q993-R997 PolarHBondContact O-N 2.94Å; Q993-R997 VanDerWaalsContact O-N 3.15Å |
| 994 | N | 83.6 | Confident | 84.8 | Confident | 90 Ų | 90 | 43.9 Ų | 43.9 | 48% | 0.481 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -78.1 | -32.9 | 178.1 | -69.7 | -22 | 0 | 0 | 0 | 112.1 | D991 T992 H1322 | D991-N994 HydrophobicContact CB-CB 4.44Å; D991-N994 PolarHBondContact O-N 3.3Å; T992-N994 VanDerWaalsContact C-N 3.32Å; T992-N994 PolarHBondContact O-N 2.86Å; N994-H1322 PolarHBondContact O-CE1 3.02Å; N994-H1322 PolarHBondContact O-ND1 3.1Å |
| 995 | I | 85.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -80.8 | -54.2 | -177.9 | -59.9 | 158.5 | 0 | 0 | 0 | 110.8 | A990 D991 T992 F1008 Y1012 H1322 A1324 G1325 | A990-I995 HydrophobicContact CB-CD1 3.53Å; A990-I995 HydrophobicContact CB-CG1 3.74Å; D991-I995 WeakPolarHBondContact O-CD1 3.37Å; D991-I995 VanDerWaalsContact O-CG1 3.25Å; D991-I995 WeakPolarHBondContact O-CG1 3.22Å; D991-I995 PolarHBondContact O-N 2.81Å; T992-I995 PolarHBondContact O-N 2.98Å; I995-F1008 HydrophobicContact CD1-CE1 4.25Å; I995-F1008 HydrophobicContact CD1-CZ 4.46Å; I995-F1008 HydrophobicContact CG2-CZ 4.44Å; I995-Y1012 HydrophobicContact CD1-CD1 3.49Å; I995-Y1012 VanDerWaalsContact CD1-CD1 3.49Å; I995-Y1012 HydrophobicContact CD1-CE1 3.59Å; I995-Y1012 HydrophobicContact CD1-CG 4.03Å; I995-Y1012 HydrophobicContact CG1-CD1 4.39Å; I995-Y1012 HydrophobicContact CG1-CE1 3.98Å; I995-Y1012 HydrophobicContact CG2-CE1 4.44Å; I995-Y1012 HydrophobicContact CG2-CE2 4.26Å; I995-H1322 WeakPolarHBondContact O-CB 3.06Å; I995-H1322 PolarHBondContact O-ND1 2.98Å; I995-A1324 HydrophobicContact CB-CB 4.39Å; I995-A1324 HydrophobicContact CG1-CB 4.34Å; I995-A1324 HydrophobicContact CG2-CB 3.99Å; I995-G1325 PolarHBondContact O-N 3.33Å |
| 996 | L | 86.8 | Confident | 85.2 | Confident | 16 Ų | 16 | 36.8 Ų | 36.8 | 8% | 0.084 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -109.5 | -13.4 | -167.5 | -61.4 | 176.1 | 0 | 0 | 0 | 114 | T992 L998 F1008 T1329 S1332 | T992-L996 HydrophobicContact CG2-CD1 4.22Å; T992-L996 PolarHBondContact O-N 3Å; L996-L998 HydrophobicContact CB-CB 4.16Å; L996-L998 HydrophobicContact CB-CD1 4.17Å; L996-L998 HydrophobicContact CB-CG 4.08Å; L996-L998 HydrophobicContact CD1-CD1 4.48Å; L996-L998 PolarHBondContact O-N 3.22Å; L996-F1008 HydrophobicContact CD1-CE1 3.76Å; L996-F1008 HydrophobicContact CD1-CZ 3.82Å; L996-F1008 HydrophobicContact CG-CE1 4.39Å; L996-F1008 HydrophobicContact CG-CZ 4.32Å; L996-T1329 HydrophobicContact CD1-CG2 3.87Å; L996-S1332 WeakPolarHBondContact CD2-OG 3.29Å |
| 997 | R | 86.3 | Confident | 85.8 | Confident | 82 Ų | 82 | 27 Ų | 27 | 31% | 0.309 | 12% | 0.124 | S | C | . | . | S | Bend | trans | 57 | 26.6 | -168.7 | -56.2 | 177 | 176.7 | 158.2 | -3.4 | 113.1 | Y925 T992 Q993 H1322 D1409 | Y925-R997 VanDerWaalsContact CG-NH1 3.35Å; T992-R997 PolarHBondContact O-N 2.64Å; Q993-R997 VanDerWaalsContact O-CA 3.26Å; Q993-R997 WeakPolarHBondContact O-CA 3.32Å; Q993-R997 PolarHBondContact O-N 2.94Å; Q993-R997 VanDerWaalsContact O-N 3.15Å; R997-H1322 PolarHBondContact NE-CD2 2.85Å; R997-H1322 VanDerWaalsContact NE-CD2 3.28Å; R997-H1322 PolarHBondContact NE-NE2 3.43Å; R997-H1322 PolarHBondContact NH2-CD2 3.48Å; R997-H1322 PolarHBondContact NH2-NE2 2.95Å; R997-D1409 IonicContact NH2-OD1 2.94Å; R997-D1409 IonicContact NH2-OD2 2.8Å |
| 998 | L | 86.3 | Confident | 86.2 | Confident | 15 Ų | 15 | 24.7 Ų | 24.7 | 8% | 0.079 | 11% | 0.113 | C | C | . | . | trans | -109.8 | 148.3 | 177.5 | -66.4 | 177.7 | 0 | 0 | 0 | 110.8 | L996 Y1550 Y1552 | L996-L998 HydrophobicContact CB-CB 4.16Å; L996-L998 HydrophobicContact CB-CD1 4.17Å; L996-L998 HydrophobicContact CB-CG 4.08Å; L996-L998 HydrophobicContact CD1-CD1 4.48Å; L996-L998 PolarHBondContact O-N 3.22Å; L998-Y1550 HydrophobicContact CD2-CE2 3.78Å; L998-Y1552 HydrophobicContact CB-CE2 4.14Å; L998-Y1552 HydrophobicContact CD1-CE2 4.32Å | ||
| 999 | P | 86 | Confident | 86.8 | Confident | 7 Ų | 7 | 22 Ų | 22 | 5% | 0.045 | 10% | 0.101 | C | C | . | . | trans | -73.1 | 161.3 | 171.2 | 33.7 | -35.6 | 0 | 0 | 0 | 110.7 | V1476 H1515 F1517 Y1550 Y1552 | P999-V1476 HydrophobicContact CG-CG1 4.21Å; P999-H1515 HydrophobicContact CB-CB 4.45Å; P999-F1517 HydrophobicContact CB-CE2 4.5Å; P999-F1517 HydrophobicContact CB-CZ 3.87Å; P999-F1517 HydrophobicContact CG-CE1 4.43Å; P999-F1517 HydrophobicContact CG-CZ 3.75Å; P999-Y1550 WeakPolarHBondContact CD-OH 3.43Å; P999-Y1550 WeakPolarHBondContact CG-OH 3.44Å; P999-Y1552 WeakPolarHBondContact O-CE2 3.39Å; P999-Y1552 PolarHBondContact O-OH 2.98Å; P999-Y1552 VanDerWaalsContact O-OH 3.11Å | ||
| 1000 | F | 81.8 | Confident | 87.1 | Confident | 19 Ų | 19 | 17.3 Ų | 17.3 | 8% | 0.083 | 8% | 0.083 | C | C | . | . | trans | -118.2 | 149.4 | 174.4 | 65.9 | -98.7 | 0 | 0 | 0 | 111.1 | N1005 K1044 | F1000-N1005 HydrophobicContact CB-CB 3.84Å; F1000-K1044 VanDerWaalsContact CE2-CE 3.48Å | ||
| 1001 | A | 79.5 | Confident | 87.4 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -159.7 | -32.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1005 Y1048 F1059 Y1506 F1517 | A1001-N1005 PolarHBondContact N-ND2 3.05Å; A1001-Y1048 PolarHBondContact O-OH 2.86Å; A1001-F1059 HydrophobicContact CB-CE1 4.37Å; A1001-Y1506 HydrophobicContact CB-CD1 3.26Å; A1001-Y1506 HydrophobicContact CB-CE1 3.66Å; A1001-Y1506 HydrophobicContact CB-CG 3.99Å; A1001-F1517 HydrophobicContact CB-CD1 3.67Å; A1001-F1517 HydrophobicContact CB-CD2 3.61Å; A1001-F1517 HydrophobicContact CB-CE1 3.55Å; A1001-F1517 HydrophobicContact CB-CE2 3.49Å; A1001-F1517 VanDerWaalsContact CB-CE2 3.49Å; A1001-F1517 HydrophobicContact CB-CG 3.69Å; A1001-F1517 HydrophobicContact CB-CZ 3.45Å; A1001-F1517 VanDerWaalsContact CB-CZ 3.45Å | ||
| 1002 | S | 87.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -85.4 | 158.3 | -178.3 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | E1004 N1005 V1006 N1058 | S1002-E1004 PolarHBondContact O-N 3.4Å; S1002-N1005 PolarHBondContact O-N 2.96Å; S1002-N1005 PolarHBondContact OG-N 2.89Å; S1002-N1005 PolarHBondContact OG-ND2 3.01Å; S1002-N1005 PolarHBondContact OG-OD1 3.44Å; S1002-V1006 PolarHBondContact O-N 3.4Å; S1002-N1058 CarbonylContact C-O 3.41Å; S1002-N1058 WeakPolarHBondContact CA-O 3.47Å; S1002-N1058 WeakPolarHBondContact CB-OD1 3.07Å |
| 1003 | A | 89.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -56.5 | -38.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N1005 V1006 F1007 Y1048 A1057 N1058 V1070 | A1003-N1005 VanDerWaalsContact C-N 3.34Å; A1003-N1005 PolarHBondContact O-N 3.44Å; A1003-V1006 WeakPolarHBondContact O-CB 3.46Å; A1003-V1006 PolarHBondContact O-N 2.81Å; A1003-V1006 VanDerWaalsContact O-N 3.17Å; A1003-F1007 HydrophobicContact CB-CD2 4.47Å; A1003-F1007 HydrophobicContact CB-CE2 4.46Å; A1003-F1007 WeakPolarHBondContact O-CD2 3.16Å; A1003-F1007 PolarHBondContact O-N 2.82Å; A1003-Y1048 HydrophobicContact CB-CD1 3.69Å; A1003-Y1048 HydrophobicContact CB-CD2 4.31Å; A1003-Y1048 HydrophobicContact CB-CE1 4.34Å; A1003-Y1048 HydrophobicContact CB-CG 3.7Å; A1003-A1057 VanDerWaalsContact CB-O 3.25Å; A1003-A1057 WeakPolarHBondContact CB-O 3.35Å; A1003-N1058 PolarHBondContact N-O 3.03Å; A1003-V1070 HydrophobicContact CB-CG1 3.68Å |
| 1004 | E | 87.6 | Confident | 88.7 | Confident | 6 Ų | 6 | 11.7 Ų | 11.7 | 3% | 0.028 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -59.7 | -42 | 177.2 | -177.6 | -93.4 | 147.9 | 0 | 0 | 112.1 | S1002 V1006 F1007 F1008 I1073 T1329 Y1553 | S1002-E1004 PolarHBondContact O-N 3.4Å; E1004-V1006 VanDerWaalsContact C-N 3.31Å; E1004-V1006 PolarHBondContact O-N 3.41Å; E1004-F1007 CarbonylContact O-C 3.55Å; E1004-F1007 PolarHBondContact O-N 2.82Å; E1004-F1008 WeakPolarHBondContact O-CB 3.3Å; E1004-F1008 PolarHBondContact O-N 3.22Å; E1004-I1073 HydrophobicContact CG-CD1 4.11Å; E1004-I1073 HydrophobicContact CG-CG2 4.25Å; E1004-T1329 WeakPolarHBondContact OE1-CB 3.22Å; E1004-T1329 PolarHBondContact OE1-OG1 2.82Å; E1004-T1329 PolarHBondContact OE2-OG1 3.28Å; E1004-Y1553 WeakPolarHBondContact OE2-CE1 3.19Å; E1004-Y1553 PolarHBondContact OE2-OH 3Å |
| 1005 | N | 88.3 | Confident | 89.2 | Confident | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -65.2 | -36.1 | 177 | -58.1 | -6 | 0 | 0 | 0 | 111.8 | F1000 A1001 S1002 A1003 F1008 E1009 Y1552 | F1000-N1005 HydrophobicContact CB-CB 3.84Å; A1001-N1005 PolarHBondContact N-ND2 3.05Å; S1002-N1005 PolarHBondContact O-N 2.96Å; S1002-N1005 PolarHBondContact OG-N 2.89Å; S1002-N1005 PolarHBondContact OG-ND2 3.01Å; S1002-N1005 PolarHBondContact OG-OD1 3.44Å; A1003-N1005 VanDerWaalsContact C-N 3.34Å; A1003-N1005 PolarHBondContact O-N 3.44Å; N1005-F1008 WeakPolarHBondContact O-CB 3.37Å; N1005-F1008 PolarHBondContact O-N 2.89Å; N1005-E1009 PolarHBondContact O-N 3.47Å; N1005-E1009 VanDerWaalsContact O-N 3.16Å; N1005-Y1552 PolarHBondContact ND2-OH 2.84Å; N1005-Y1552 WeakPolarHBondContact OD1-CE1 3.44Å; N1005-Y1552 PolarHBondContact OD1-OH 3.13Å |
| 1006 | V | 91.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 7.4 Ų | 7.4 | 1% | 0.006 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -67.4 | -44.3 | 176.4 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | S1002 A1003 E1004 F1008 E1009 L1010 I1041 K1044 Y1048 | S1002-V1006 PolarHBondContact O-N 3.4Å; A1003-V1006 WeakPolarHBondContact O-CB 3.46Å; A1003-V1006 PolarHBondContact O-N 2.81Å; A1003-V1006 VanDerWaalsContact O-N 3.17Å; E1004-V1006 VanDerWaalsContact C-N 3.31Å; E1004-V1006 PolarHBondContact O-N 3.41Å; V1006-F1008 VanDerWaalsContact C-N 3.27Å; V1006-F1008 PolarHBondContact O-N 3.47Å; V1006-E1009 PolarHBondContact O-N 2.82Å; V1006-L1010 PolarHBondContact O-N 3.28Å; V1006-I1041 HydrophobicContact CG1-CG2 3.77Å; V1006-I1041 WeakPolarHBondContact O-CG2 3.49Å; V1006-K1044 HydrophobicContact CG1-CB 3.83Å; V1006-K1044 HydrophobicContact CG1-CD 4.01Å; V1006-K1044 HydrophobicContact CG1-CG 3.95Å; V1006-K1044 HydrophobicContact CG2-CD 3.87Å; V1006-K1044 HydrophobicContact CG2-CG 4.04Å; V1006-Y1048 HydrophobicContact CG2-CE2 3.91Å |
| 1007 | F | 92.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 6.6 Ų | 6.6 | 1% | 0.013 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -71.7 | -21.9 | 175.7 | -72.9 | -64.4 | 0 | 0 | 0 | 113.4 | A1003 E1004 L1010 G1011 F1056 A1074 S1077 L1078 | A1003-F1007 HydrophobicContact CB-CD2 4.47Å; A1003-F1007 HydrophobicContact CB-CE2 4.46Å; A1003-F1007 WeakPolarHBondContact O-CD2 3.16Å; A1003-F1007 PolarHBondContact O-N 2.82Å; E1004-F1007 CarbonylContact O-C 3.55Å; E1004-F1007 PolarHBondContact O-N 2.82Å; F1007-L1010 HydrophobicContact CD1-CD2 4.13Å; F1007-L1010 HydrophobicContact CE1-CD2 4.44Å; F1007-G1011 PolarHBondContact O-N 3.48Å; F1007-F1056 AromaticContact CE2-CD1 3.8Å; F1007-F1056 HydrophobicContact CE2-CD1 3.8Å; F1007-F1056 AromaticContact CE2-CE1 3.9Å; F1007-F1056 HydrophobicContact CE2-CE1 3.9Å; F1007-F1056 HydrophobicContact CE2-CG 4.15Å; F1007-F1056 HydrophobicContact CE2-CZ 4.32Å; F1007-F1056 AromaticContact CZ-CD1 3.88Å; F1007-F1056 HydrophobicContact CZ-CD1 3.88Å; F1007-F1056 AromaticContact CZ-CE1 3.46Å; F1007-F1056 HydrophobicContact CZ-CE1 3.46Å; F1007-F1056 VanDerWaalsContact CZ-CE1 3.46Å; F1007-F1056 HydrophobicContact CZ-CE2 4.22Å; F1007-F1056 HydrophobicContact CZ-CG 4.43Å; F1007-F1056 AromaticContact CZ-CZ 3.66Å; F1007-F1056 HydrophobicContact CZ-CZ 3.66Å; F1007-A1074 HydrophobicContact CD1-CB 4.15Å; F1007-A1074 HydrophobicContact CD2-CB 3.47Å; F1007-A1074 VanDerWaalsContact CD2-CB 3.47Å; F1007-A1074 HydrophobicContact CE1-CB 3.98Å; F1007-A1074 HydrophobicContact CE2-CB 3.28Å; F1007-A1074 HydrophobicContact CG-CB 3.93Å; F1007-A1074 HydrophobicContact CZ-CB 3.56Å; F1007-S1077 PolarHBondContact O-OG 2.98Å; F1007-L1078 HydrophobicContact CE1-CD1 4.42Å; F1007-L1078 HydrophobicContact CE1-CD2 4.1Å; F1007-L1078 HydrophobicContact CE1-CG 4.03Å |
| 1008 | F | 92.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 3.4 Ų | 3.4 | 0% | 0.004 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -63.5 | -49.6 | 167.5 | 165 | -99.7 | 0 | 0 | 0 | 110.9 | I995 L996 E1004 N1005 V1006 L1010 G1011 Y1012 T1329 L1333 | I995-F1008 HydrophobicContact CD1-CE1 4.25Å; I995-F1008 HydrophobicContact CD1-CZ 4.46Å; I995-F1008 HydrophobicContact CG2-CZ 4.44Å; L996-F1008 HydrophobicContact CD1-CE1 3.76Å; L996-F1008 HydrophobicContact CD1-CZ 3.82Å; L996-F1008 HydrophobicContact CG-CE1 4.39Å; L996-F1008 HydrophobicContact CG-CZ 4.32Å; E1004-F1008 WeakPolarHBondContact O-CB 3.3Å; E1004-F1008 PolarHBondContact O-N 3.22Å; N1005-F1008 WeakPolarHBondContact O-CB 3.37Å; N1005-F1008 PolarHBondContact O-N 2.89Å; V1006-F1008 VanDerWaalsContact C-N 3.27Å; V1006-F1008 PolarHBondContact O-N 3.47Å; F1008-L1010 VanDerWaalsContact C-N 3.3Å; F1008-L1010 PolarHBondContact O-N 2.97Å; F1008-G1011 PolarHBondContact O-N 3.27Å; F1008-Y1012 AromaticContact CE2-CD2 3.97Å; F1008-Y1012 HydrophobicContact CE2-CD2 3.97Å; F1008-Y1012 HydrophobicContact CE2-CG 4.47Å; F1008-Y1012 AromaticContact CZ-CD2 3.92Å; F1008-Y1012 HydrophobicContact CZ-CD2 3.92Å; F1008-Y1012 HydrophobicContact CZ-CG 4.26Å; F1008-Y1012 WeakPolarHBondContact O-CB 3.13Å; F1008-Y1012 PolarHBondContact O-N 3.13Å; F1008-T1329 HydrophobicContact CB-CG2 4.17Å; F1008-T1329 HydrophobicContact CD1-CG2 3.86Å; F1008-T1329 HydrophobicContact CD2-CG2 4.35Å; F1008-T1329 WeakPolarHBondContact CD2-O 3.18Å; F1008-T1329 HydrophobicContact CE1-CG2 4.37Å; F1008-T1329 WeakPolarHBondContact CE2-O 3.42Å; F1008-T1329 HydrophobicContact CG-CG2 3.85Å; F1008-L1333 HydrophobicContact CD2-CB 4.02Å; F1008-L1333 HydrophobicContact CE2-CB 4.29Å |
| 1009 | E | 92.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 2.7 Ų | 2.7 | 1% | 0.014 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -59.4 | -42.8 | 177.2 | -68.9 | -175.5 | 166.5 | 0 | 0 | 111.8 | T992 N1005 V1006 N1013 I1041 | T992-E1009 VanDerWaalsContact CB-OE1 3.29Å; T992-E1009 WeakPolarHBondContact CB-OE1 3.29Å; T992-E1009 PolarHBondContact N-OE1 3.41Å; T992-E1009 VanDerWaalsContact OG1-CD 3.26Å; T992-E1009 WeakPolarHBondContact OG1-CG 3.48Å; T992-E1009 PolarHBondContact OG1-OE1 3.03Å; N1005-E1009 PolarHBondContact O-N 3.47Å; N1005-E1009 VanDerWaalsContact O-N 3.16Å; V1006-E1009 PolarHBondContact O-N 2.82Å; E1009-N1013 WeakPolarHBondContact O-CB 3.4Å; E1009-N1013 PolarHBondContact O-N 2.85Å; E1009-N1013 VanDerWaalsContact O-N 3.11Å; E1009-N1013 PolarHBondContact O-ND2 2.93Å; E1009-I1041 HydrophobicContact CB-CD1 3.71Å; E1009-I1041 HydrophobicContact CB-CG1 4.42Å; E1009-I1041 HydrophobicContact CB-CG2 4.25Å |
| 1010 | L | 93.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -61.6 | -52.6 | 175.5 | -176.2 | 64.5 | 0 | 0 | 0 | 110.6 | V1006 F1007 F1008 Y1012 M1014 C1038 I1041 L1078 T1081 I1090 | V1006-L1010 PolarHBondContact O-N 3.28Å; F1007-L1010 HydrophobicContact CD1-CD2 4.13Å; F1007-L1010 HydrophobicContact CE1-CD2 4.44Å; F1008-L1010 VanDerWaalsContact C-N 3.3Å; F1008-L1010 PolarHBondContact O-N 2.97Å; L1010-Y1012 PolarHBondContact O-N 2.73Å; L1010-M1014 HydrophobicContact CD1-CG 4.17Å; L1010-M1014 HydrophobicContact CG-CG 4.39Å; L1010-M1014 VanDerWaalsContact O-CB 3.24Å; L1010-M1014 WeakPolarHBondContact O-CB 3.03Å; L1010-M1014 WeakPolarHBondContact O-CG 3.44Å; L1010-M1014 PolarHBondContact O-N 2.99Å; L1010-C1038 HydrophobicContact CD1-CB 3.83Å; L1010-I1041 HydrophobicContact CB-CG2 3.83Å; L1010-L1078 HydrophobicContact CD2-CD2 4.37Å; L1010-T1081 HydrophobicContact CD1-CG2 4.07Å; L1010-T1081 HydrophobicContact CD2-CG2 4.05Å; L1010-T1081 HydrophobicContact CG-CG2 4.26Å; L1010-I1090 HydrophobicContact CD1-CD1 4.3Å |
| 1011 | G | 92.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -62.5 | -40.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1007 F1008 N1015 | F1007-G1011 PolarHBondContact O-N 3.48Å; F1008-G1011 PolarHBondContact O-N 3.27Å; G1011-N1015 WeakPolarHBondContact O-CB 3.37Å; G1011-N1015 PolarHBondContact O-N 2.81Å; G1011-N1015 PolarHBondContact O-ND2 3.23Å |
| 1012 | Y | 93.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 7.4 Ų | 7.4 | 0% | 0.004 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -66.5 | -50.3 | -179.5 | -169.5 | -88.4 | 0 | 0 | 0 | 111.3 | A990 I995 F1008 L1010 M1014 N1015 L1016 A1324 M1336 | A990-Y1012 HydrophobicContact CB-CD1 3.9Å; A990-Y1012 HydrophobicContact CB-CE1 3.83Å; I995-Y1012 HydrophobicContact CD1-CD1 3.49Å; I995-Y1012 VanDerWaalsContact CD1-CD1 3.49Å; I995-Y1012 HydrophobicContact CD1-CE1 3.59Å; I995-Y1012 HydrophobicContact CD1-CG 4.03Å; I995-Y1012 HydrophobicContact CG1-CD1 4.39Å; I995-Y1012 HydrophobicContact CG1-CE1 3.98Å; I995-Y1012 HydrophobicContact CG2-CE1 4.44Å; I995-Y1012 HydrophobicContact CG2-CE2 4.26Å; F1008-Y1012 AromaticContact CE2-CD2 3.97Å; F1008-Y1012 HydrophobicContact CE2-CD2 3.97Å; F1008-Y1012 HydrophobicContact CE2-CG 4.47Å; F1008-Y1012 AromaticContact CZ-CD2 3.92Å; F1008-Y1012 HydrophobicContact CZ-CD2 3.92Å; F1008-Y1012 HydrophobicContact CZ-CG 4.26Å; F1008-Y1012 WeakPolarHBondContact O-CB 3.13Å; F1008-Y1012 PolarHBondContact O-N 3.13Å; L1010-Y1012 PolarHBondContact O-N 2.73Å; Y1012-M1014 PolarHBondContact O-N 3.16Å; Y1012-N1015 PolarHBondContact O-N 3.09Å; Y1012-L1016 HydrophobicContact CD1-CD1 3.98Å; Y1012-L1016 HydrophobicContact CD1-CG 4.47Å; Y1012-L1016 HydrophobicContact CE1-CD1 3.61Å; Y1012-L1016 HydrophobicContact CE1-CG 4.26Å; Y1012-L1016 PolarHBondContact O-N 2.88Å; Y1012-L1016 VanDerWaalsContact O-N 3.11Å; Y1012-A1324 PolarHBondContact OH-O 3.21Å; Y1012-A1324 VanDerWaalsContact OH-O 3.06Å; Y1012-M1336 HydrophobicContact CD2-CB 4.23Å; Y1012-M1336 HydrophobicContact CD2-CE 4.42Å; Y1012-M1336 HydrophobicContact CD2-CG 4.2Å; Y1012-M1336 HydrophobicContact CE1-CE 4.32Å; Y1012-M1336 HydrophobicContact CE2-CB 4.14Å; Y1012-M1336 HydrophobicContact CE2-CE 3.5Å; Y1012-M1336 HydrophobicContact CE2-CG 4.14Å; Y1012-M1336 VanDerWaalsContact CZ-CE 3.43Å; Y1012-M1336 WeakPolarHBondContact OH-CE 3.45Å |
| 1013 | N | 93.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.2 | -40.9 | 176.7 | -75.1 | -60.8 | 0 | 0 | 0 | 112.1 | A990 E1009 N1015 L1016 L1017 | A990-N1013 WeakPolarHBondContact CB-OD1 3.32Å; A990-N1013 PolarHBondContact N-OD1 2.85Å; A990-N1013 PolarHBondContact O-ND2 3.01Å; E1009-N1013 WeakPolarHBondContact O-CB 3.4Å; E1009-N1013 PolarHBondContact O-N 2.85Å; E1009-N1013 VanDerWaalsContact O-N 3.11Å; E1009-N1013 PolarHBondContact O-ND2 2.93Å; N1013-N1015 VanDerWaalsContact C-N 3.35Å; N1013-N1015 PolarHBondContact O-N 2.73Å; N1013-L1016 PolarHBondContact O-N 3.49Å; N1013-L1017 WeakPolarHBondContact O-CG 3.22Å; N1013-L1017 PolarHBondContact O-N 2.95Å |
| 1014 | M | 92.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.8 | -38.6 | 176.4 | -73 | -61.1 | -59.4 | 0 | 0 | 112.2 | L1010 Y1012 L1017 L1018 L1035 L1080 T1081 W1086 | L1010-M1014 HydrophobicContact CD1-CG 4.17Å; L1010-M1014 HydrophobicContact CG-CG 4.39Å; L1010-M1014 VanDerWaalsContact O-CB 3.24Å; L1010-M1014 WeakPolarHBondContact O-CB 3.03Å; L1010-M1014 WeakPolarHBondContact O-CG 3.44Å; L1010-M1014 PolarHBondContact O-N 2.99Å; Y1012-M1014 PolarHBondContact O-N 3.16Å; M1014-L1017 PolarHBondContact O-N 3.27Å; M1014-L1017 HydrophobicContact SD-CD1 4.32Å; M1014-L1018 VanDerWaalsContact O-CB 3.32Å; M1014-L1018 WeakPolarHBondContact O-CB 3.32Å; M1014-L1018 WeakPolarHBondContact O-CG 3.21Å; M1014-L1018 PolarHBondContact O-N 3.2Å; M1014-L1035 HydrophobicContact SD-CD2 4.34Å; M1014-L1080 HydrophobicContact CB-CB 4.21Å; M1014-L1080 WeakPolarHBondContact CE-O 3.14Å; M1014-T1081 HydrophobicContact CE-CG2 4.34Å; M1014-T1081 HydrophobicContact CG-CG2 4.28Å; M1014-T1081 HydrophobicContact SD-CG2 4.36Å; M1014-W1086 HydrophobicContact CE-CE3 3.92Å; M1014-W1086 HydrophobicContact CE-CZ3 3.57Å; M1014-W1086 HydrophobicContact SD-CZ3 4.34Å |
| 1015 | N | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.3 | -39 | 174.3 | -82.1 | -64.9 | 0 | 0 | 0 | 112.3 | G1011 Y1012 N1013 Y1019 M1336 R1340 | G1011-N1015 WeakPolarHBondContact O-CB 3.37Å; G1011-N1015 PolarHBondContact O-N 2.81Å; G1011-N1015 PolarHBondContact O-ND2 3.23Å; Y1012-N1015 PolarHBondContact O-N 3.09Å; N1013-N1015 VanDerWaalsContact C-N 3.35Å; N1013-N1015 PolarHBondContact O-N 2.73Å; N1015-Y1019 WeakPolarHBondContact O-CB 3.38Å; N1015-Y1019 PolarHBondContact O-N 3.05Å; N1015-M1336 HydrophobicContact CB-CG 3.87Å; N1015-R1340 WeakPolarHBondContact OD1-CD 3.27Å; N1015-R1340 PolarHBondContact OD1-NH1 2.91Å |
| 1016 | L | 92.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.4 | -42.7 | 174.9 | -69.8 | 179.2 | 0 | 0 | 0 | 112.7 | I979 L983 A990 Y1012 N1013 Y1019 L1020 M1336 | I979-L1016 HydrophobicContact CD1-CD2 4.21Å; I979-L1016 HydrophobicContact CG1-CD2 4.43Å; L983-L1016 HydrophobicContact CD1-CB 4.15Å; L983-L1016 HydrophobicContact CD2-CD1 3.84Å; L983-L1016 HydrophobicContact CG-CB 4.01Å; L983-L1016 HydrophobicContact CG-CD1 4Å; A990-L1016 HydrophobicContact CB-CD1 4.42Å; Y1012-L1016 HydrophobicContact CD1-CD1 3.98Å; Y1012-L1016 HydrophobicContact CD1-CG 4.47Å; Y1012-L1016 HydrophobicContact CE1-CD1 3.61Å; Y1012-L1016 HydrophobicContact CE1-CG 4.26Å; Y1012-L1016 PolarHBondContact O-N 2.88Å; Y1012-L1016 VanDerWaalsContact O-N 3.11Å; N1013-L1016 PolarHBondContact O-N 3.49Å; L1016-Y1019 WeakPolarHBondContact O-CB 3.31Å; L1016-Y1019 PolarHBondContact O-N 3.15Å; L1016-L1020 WeakPolarHBondContact O-CG 3.38Å; L1016-L1020 PolarHBondContact O-N 2.81Å; L1016-M1336 HydrophobicContact CD2-CE 3.9Å; L1016-M1336 HydrophobicContact CD2-SD 3.94Å |
| 1017 | L | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 175.4 | -73.1 | 172.8 | 0 | 0 | 0 | 111.5 | L983 N1013 M1014 Y1019 L1020 H1021 L1026 L1035 W1086 | L983-L1017 HydrophobicContact CD1-CD2 3.77Å; L983-L1017 HydrophobicContact CD1-CG 3.89Å; N1013-L1017 WeakPolarHBondContact O-CG 3.22Å; N1013-L1017 PolarHBondContact O-N 2.95Å; M1014-L1017 PolarHBondContact O-N 3.27Å; M1014-L1017 HydrophobicContact SD-CD1 4.32Å; L1017-Y1019 VanDerWaalsContact C-N 3.33Å; L1017-L1020 PolarHBondContact O-N 3.2Å; L1017-H1021 WeakPolarHBondContact O-CB 3.2Å; L1017-H1021 PolarHBondContact O-N 3.33Å; L1017-L1026 HydrophobicContact CD2-CD1 4.08Å; L1017-L1035 HydrophobicContact CD1-CD2 3.79Å; L1017-L1035 HydrophobicContact CD1-CG 4.23Å; L1017-W1086 HydrophobicContact CB-CH2 3.82Å; L1017-W1086 HydrophobicContact CB-CZ3 4.18Å |
| 1018 | L | 92.1 | Very high | 90.6 | Very high | 15 Ų | 15 | 25.9 Ų | 25.9 | 8% | 0.079 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.7 | -34.8 | 175.5 | -71.1 | 173.4 | 0 | 0 | 0 | 112.3 | M1014 G1022 L1080 W1086 | M1014-L1018 VanDerWaalsContact O-CB 3.32Å; M1014-L1018 WeakPolarHBondContact O-CB 3.32Å; M1014-L1018 WeakPolarHBondContact O-CG 3.21Å; M1014-L1018 PolarHBondContact O-N 3.2Å; L1018-G1022 PolarHBondContact O-N 3.22Å; L1018-L1080 HydrophobicContact CD1-CD2 4.16Å; L1018-W1086 HydrophobicContact CD2-CH2 3.88Å; L1018-W1086 HydrophobicContact CD2-CZ3 4.12Å; L1018-W1086 HydrophobicContact CG-CH2 4.35Å; L1018-W1086 HydrophobicContact CG-CZ3 4.49Å |
| 1019 | Y | 91.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.9 | -52.9 | 171.2 | 162 | -98.7 | 0 | 0 | 0 | 111.3 | D977 I979 A982 N1015 L1016 L1017 H1021 G1022 A1023 A1343 R1349 Y1377 | D977-Y1019 WeakPolarHBondContact OD2-CE2 3.11Å; D977-Y1019 PolarHBondContact OD2-OH 3.46Å; I979-Y1019 HydrophobicContact CB-CE2 4.47Å; I979-Y1019 HydrophobicContact CD1-CD1 3.9Å; I979-Y1019 HydrophobicContact CD1-CD2 3.44Å; I979-Y1019 VanDerWaalsContact CD1-CD2 3.44Å; I979-Y1019 HydrophobicContact CD1-CE1 4.42Å; I979-Y1019 HydrophobicContact CD1-CE2 3.95Å; I979-Y1019 HydrophobicContact CD1-CG 3.41Å; I979-Y1019 VanDerWaalsContact CD1-CG 3.41Å; I979-Y1019 HydrophobicContact CG2-CD1 4.48Å; I979-Y1019 HydrophobicContact CG2-CE1 4.01Å; I979-Y1019 HydrophobicContact CG2-CE2 4.08Å; A982-Y1019 HydrophobicContact CB-CD1 4.35Å; A982-Y1019 HydrophobicContact CB-CE1 3.96Å; N1015-Y1019 WeakPolarHBondContact O-CB 3.38Å; N1015-Y1019 PolarHBondContact O-N 3.05Å; L1016-Y1019 WeakPolarHBondContact O-CB 3.31Å; L1016-Y1019 PolarHBondContact O-N 3.15Å; L1017-Y1019 VanDerWaalsContact C-N 3.33Å; Y1019-H1021 VanDerWaalsContact C-N 3.3Å; Y1019-H1021 PolarHBondContact O-N 2.94Å; Y1019-G1022 PolarHBondContact O-N 3.4Å; Y1019-A1023 VanDerWaalsContact O-CB 3.25Å; Y1019-A1023 WeakPolarHBondContact O-CB 3.33Å; Y1019-A1023 PolarHBondContact O-N 3.24Å; Y1019-A1343 HydrophobicContact CD2-CB 3.88Å; Y1019-A1343 HydrophobicContact CE2-CB 3.81Å; Y1019-R1349 VanDerWaalsContact CE2-NH1 3.29Å; Y1019-Y1377 WeakPolarHBondContact OH-CE2 3.1Å |
| 1020 | L | 91.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.7 | -37.8 | -179.4 | -70.9 | 175.3 | 0 | 0 | 0 | 111.8 | A982 L983 L1016 L1017 A1023 G1024 H1025 L1026 | A982-L1020 HydrophobicContact CB-CD2 3.96Å; A982-L1020 HydrophobicContact CB-CG 4.44Å; L983-L1020 HydrophobicContact CB-CD1 3.85Å; L983-L1020 WeakPolarHBondContact O-CD1 3.09Å; L1016-L1020 WeakPolarHBondContact O-CG 3.38Å; L1016-L1020 PolarHBondContact O-N 2.81Å; L1017-L1020 PolarHBondContact O-N 3.2Å; L1020-A1023 PolarHBondContact O-N 3.39Å; L1020-G1024 PolarHBondContact O-N 2.99Å; L1020-H1025 PolarHBondContact O-N 3.37Å; L1020-L1026 HydrophobicContact CB-CB 4.08Å; L1020-L1026 HydrophobicContact CB-CD1 3.86Å; L1020-L1026 HydrophobicContact CB-CG 4.41Å; L1020-L1026 HydrophobicContact CD1-CD1 3.82Å |
| 1021 | H | 91.5 | Very high | 90.4 | Very high | 73 Ų | 73 | 29 Ų | 29 | 34% | 0.338 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64 | -47.3 | 174.4 | -176 | 65 | 0 | 0 | 0 | 111.8 | L1017 Y1019 A1023 G1024 L1026 Q1085 W1086 | L1017-H1021 WeakPolarHBondContact O-CB 3.2Å; L1017-H1021 PolarHBondContact O-N 3.33Å; Y1019-H1021 VanDerWaalsContact C-N 3.3Å; Y1019-H1021 PolarHBondContact O-N 2.94Å; H1021-A1023 VanDerWaalsContact C-N 3.33Å; H1021-A1023 PolarHBondContact O-N 3.44Å; H1021-G1024 PolarHBondContact O-N 2.83Å; H1021-L1026 HydrophobicContact CB-CD2 4.21Å; H1021-Q1085 PolarHBondContact CE1-OE1 3.06Å; H1021-W1086 HydrophobicContact CB-CZ2 4.2Å |
| 1022 | G | 88.7 | Confident | 90.3 | Very high | 49 Ų | 49 | 32.3 Ų | 32.3 | 51% | 0.505 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69.1 | -28.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1018 Y1019 G1024 | L1018-G1022 PolarHBondContact O-N 3.22Å; Y1019-G1022 PolarHBondContact O-N 3.4Å; G1022-G1024 VanDerWaalsContact C-N 3.28Å |
| 1023 | A | 85.9 | Confident | 90.2 | Very high | 33 Ų | 33 | 35.3 Ų | 35.3 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -11 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1019 L1020 H1021 H1025 | Y1019-A1023 VanDerWaalsContact O-CB 3.25Å; Y1019-A1023 WeakPolarHBondContact O-CB 3.33Å; Y1019-A1023 PolarHBondContact O-N 3.24Å; L1020-A1023 PolarHBondContact O-N 3.39Å; H1021-A1023 VanDerWaalsContact C-N 3.33Å; H1021-A1023 PolarHBondContact O-N 3.44Å; A1023-H1025 VanDerWaalsContact C-N 3.32Å; A1023-H1025 PolarHBondContact O-N 3.13Å |
| 1024 | G | 84.4 | Confident | 90.1 | Very high | 72 Ų | 72 | 35.3 Ų | 35.3 | 74% | 0.742 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 7.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1020 H1021 G1022 | L1020-G1024 PolarHBondContact O-N 2.99Å; H1021-G1024 PolarHBondContact O-N 2.83Å; G1022-G1024 VanDerWaalsContact C-N 3.28Å |
| 1025 | H | 81 | Confident | 90.1 | Very high | 71 Ų | 71 | 35.3 Ų | 35.3 | 33% | 0.329 | 21% | 0.21 | S | C | . | . | trans | -124.6 | 78.4 | -178.8 | -170 | 76.6 | 0 | 0 | 0 | 111 | L1020 A1023 | L1020-H1025 PolarHBondContact O-N 3.37Å; A1023-H1025 VanDerWaalsContact C-N 3.32Å; A1023-H1025 PolarHBondContact O-N 3.13Å | ||
| 1026 | L | 86.1 | Confident | 90 | Very high | 38 Ų | 38 | 37.9 Ų | 37.9 | 20% | 0.199 | 22% | 0.223 | C | C | . | . | trans | -125.6 | 102.2 | 176.5 | -179 | 56.5 | 0 | 0 | 0 | 110.5 | L1017 L1020 H1021 V1030 L1031 W1086 | L1017-L1026 HydrophobicContact CD2-CD1 4.08Å; L1020-L1026 HydrophobicContact CB-CB 4.08Å; L1020-L1026 HydrophobicContact CB-CD1 3.86Å; L1020-L1026 HydrophobicContact CB-CG 4.41Å; L1020-L1026 HydrophobicContact CD1-CD1 3.82Å; H1021-L1026 HydrophobicContact CB-CD2 4.21Å; L1026-V1030 HydrophobicContact CD1-CB 4.47Å; L1026-V1030 HydrophobicContact CD1-CG1 4.32Å; L1026-L1031 HydrophobicContact CD1-CB 4.34Å; L1026-L1031 HydrophobicContact CD2-CB 4.15Å; L1026-L1031 HydrophobicContact CD2-CD1 3.78Å; L1026-L1031 HydrophobicContact CD2-CG 4.4Å; L1026-L1031 HydrophobicContact CG-CB 4.09Å; L1026-W1086 HydrophobicContact CD2-CZ2 4.46Å | ||
| 1027 | P | 89.1 | Confident | 90 | Very high | 39 Ų | 39 | 39.5 Ų | 39.5 | 25% | 0.253 | 23% | 0.229 | S | C | . | . | trans | -60 | 139.8 | 174.4 | -21.8 | 32.5 | 0 | 0 | 0 | 111.5 | S1029 V1030 L1031 | P1027-S1029 VanDerWaalsContact C-N 3.29Å; P1027-S1029 PolarHBondContact O-N 3.25Å; P1027-V1030 HydrophobicContact CB-CB 4.35Å; P1027-V1030 HydrophobicContact CB-CG2 4.03Å; P1027-V1030 HydrophobicContact CG-CG2 4.16Å; P1027-V1030 PolarHBondContact O-N 2.86Å; P1027-V1030 VanDerWaalsContact O-N 3.17Å; P1027-L1031 PolarHBondContact O-N 2.93Å | ||
| 1028 | Y | 90.2 | Very high | 89.9 | Confident | 146 Ų | 146 | 39.5 Ų | 39.5 | 57% | 0.573 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -60.8 | -37.5 | -179.2 | -178.5 | -93 | 0 | 0 | 0 | 112.5 | V1030 L1031 E1032 | Y1028-V1030 VanDerWaalsContact C-N 3.33Å; Y1028-V1030 PolarHBondContact O-N 3.42Å; Y1028-L1031 WeakPolarHBondContact O-CB 3.43Å; Y1028-L1031 PolarHBondContact O-N 3.33Å; Y1028-E1032 HydrophobicContact CE1-CB 4.3Å; Y1028-E1032 WeakPolarHBondContact CE1-OE2 3.4Å; Y1028-E1032 WeakPolarHBondContact O-CB 3.49Å; Y1028-E1032 PolarHBondContact O-N 2.81Å |
| 1029 | S | 90.5 | Very high | 89.9 | Confident | 41 Ų | 41 | 39 Ų | 39 | 29% | 0.287 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.7 | -41.3 | 176.2 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | P1027 N1033 | P1027-S1029 VanDerWaalsContact C-N 3.29Å; P1027-S1029 PolarHBondContact O-N 3.25Å; S1029-N1033 WeakPolarHBondContact O-CB 3.46Å; S1029-N1033 PolarHBondContact O-N 3.11Å; S1029-N1033 PolarHBondContact O-ND2 3.38Å |
| 1030 | V | 91.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.1 | -39.9 | 177.6 | -180 | 0 | 0 | 0 | 0 | 110.8 | L983 S984 E985 L1026 P1027 Y1028 G1034 | L983-V1030 HydrophobicContact CB-CG1 3.59Å; S984-V1030 VanDerWaalsContact C-CG2 3.49Å; E985-V1030 HydrophobicContact CG-CG2 4.23Å; L1026-V1030 HydrophobicContact CD1-CB 4.47Å; L1026-V1030 HydrophobicContact CD1-CG1 4.32Å; P1027-V1030 HydrophobicContact CB-CB 4.35Å; P1027-V1030 HydrophobicContact CB-CG2 4.03Å; P1027-V1030 HydrophobicContact CG-CG2 4.16Å; P1027-V1030 PolarHBondContact O-N 2.86Å; P1027-V1030 VanDerWaalsContact O-N 3.17Å; Y1028-V1030 VanDerWaalsContact C-N 3.33Å; Y1028-V1030 PolarHBondContact O-N 3.42Å; V1030-G1034 WeakPolarHBondContact O-CA 3.27Å; V1030-G1034 PolarHBondContact O-N 3.2Å |
| 1031 | L | 92.4 | Very high | 89.8 | Confident | 27 Ų | 27 | 40.4 Ų | 40.4 | 14% | 0.141 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -49.4 | 173.8 | 175.3 | 68.1 | 0 | 0 | 0 | 111.5 | L1026 P1027 Y1028 L1035 W1086 | L1026-L1031 HydrophobicContact CD1-CB 4.34Å; L1026-L1031 HydrophobicContact CD2-CB 4.15Å; L1026-L1031 HydrophobicContact CD2-CD1 3.78Å; L1026-L1031 HydrophobicContact CD2-CG 4.4Å; L1026-L1031 HydrophobicContact CG-CB 4.09Å; P1027-L1031 PolarHBondContact O-N 2.93Å; Y1028-L1031 WeakPolarHBondContact O-CB 3.43Å; Y1028-L1031 PolarHBondContact O-N 3.33Å; L1031-L1035 HydrophobicContact CD1-CD1 3.48Å; L1031-L1035 VanDerWaalsContact CD1-CD1 3.48Å; L1031-L1035 HydrophobicContact CD1-CG 3.94Å; L1031-L1035 HydrophobicContact CG-CD1 3.98Å; L1031-L1035 VanDerWaalsContact O-CB 3.26Å; L1031-L1035 WeakPolarHBondContact O-CB 3.25Å; L1031-L1035 VanDerWaalsContact O-CG 3.24Å; L1031-L1035 WeakPolarHBondContact O-CG 3.36Å; L1031-L1035 PolarHBondContact O-N 3.5Å; L1031-W1086 HydrophobicContact CD1-CD2 4.33Å; L1031-W1086 HydrophobicContact CD1-CZ2 4.03Å |
| 1032 | E | 90.9 | Very high | 89.8 | Confident | 71 Ų | 71 | 37.1 Ų | 37.1 | 33% | 0.332 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.6 | -53.7 | -178.7 | -178.6 | 170.6 | -152.2 | 0 | 0 | 111.3 | Y1028 G1034 L1035 I1036 | Y1028-E1032 HydrophobicContact CE1-CB 4.3Å; Y1028-E1032 WeakPolarHBondContact CE1-OE2 3.4Å; Y1028-E1032 WeakPolarHBondContact O-CB 3.49Å; Y1028-E1032 PolarHBondContact O-N 2.81Å; E1032-G1034 PolarHBondContact O-N 2.97Å; E1032-L1035 PolarHBondContact O-N 3.48Å; E1032-I1036 HydrophobicContact CG-CD1 3.77Å; E1032-I1036 WeakPolarHBondContact O-CB 3.35Å; E1032-I1036 WeakPolarHBondContact O-CG1 3.36Å; E1032-I1036 PolarHBondContact O-N 3.3Å |
| 1033 | N | 91.6 | Very high | 89.8 | Confident | 63 Ų | 63 | 35.2 Ų | 35.2 | 34% | 0.337 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 179.4 | -71.3 | -18.9 | 0 | 0 | 0 | 112.2 | H988 S1029 Y1037 | H988-N1033 HydrophobicContact CB-CB 4.04Å; S1029-N1033 WeakPolarHBondContact O-CB 3.46Å; S1029-N1033 PolarHBondContact O-N 3.11Å; S1029-N1033 PolarHBondContact O-ND2 3.38Å; N1033-Y1037 WeakPolarHBondContact O-CB 3.49Å; N1033-Y1037 PolarHBondContact O-N 3.4Å |
| 1034 | G | 92.6 | Very high | 90 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1030 E1032 Y1037 C1038 | V1030-G1034 WeakPolarHBondContact O-CA 3.27Å; V1030-G1034 PolarHBondContact O-N 3.2Å; E1032-G1034 PolarHBondContact O-N 2.97Å; G1034-Y1037 PolarHBondContact O-N 3.46Å; G1034-C1038 PolarHBondContact O-N 3.01Å; G1034-C1038 PolarHBondContact O-SG 3.28Å |
| 1035 | L | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -73.7 | -35.7 | 176.9 | -71.3 | 179.3 | 0 | 0 | 0 | 113 | M1014 L1017 L1031 E1032 Y1037 C1038 S1039 W1086 L1089 I1090 | M1014-L1035 HydrophobicContact SD-CD2 4.34Å; L1017-L1035 HydrophobicContact CD1-CD2 3.79Å; L1017-L1035 HydrophobicContact CD1-CG 4.23Å; L1031-L1035 HydrophobicContact CD1-CD1 3.48Å; L1031-L1035 VanDerWaalsContact CD1-CD1 3.48Å; L1031-L1035 HydrophobicContact CD1-CG 3.94Å; L1031-L1035 HydrophobicContact CG-CD1 3.98Å; L1031-L1035 VanDerWaalsContact O-CB 3.26Å; L1031-L1035 WeakPolarHBondContact O-CB 3.25Å; L1031-L1035 VanDerWaalsContact O-CG 3.24Å; L1031-L1035 WeakPolarHBondContact O-CG 3.36Å; L1031-L1035 PolarHBondContact O-N 3.5Å; E1032-L1035 PolarHBondContact O-N 3.48Å; L1035-Y1037 VanDerWaalsContact C-N 3.32Å; L1035-C1038 PolarHBondContact O-N 3.34Å; L1035-S1039 PolarHBondContact O-N 3.4Å; L1035-W1086 HydrophobicContact CD1-CB 3.83Å; L1035-W1086 HydrophobicContact CD1-CD2 4.05Å; L1035-W1086 HydrophobicContact CD1-CE3 4.49Å; L1035-W1086 HydrophobicContact CD1-CG 3.74Å; L1035-W1086 HydrophobicContact CD2-CD2 4.25Å; L1035-W1086 HydrophobicContact CD2-CE3 3.86Å; L1035-W1086 HydrophobicContact CD2-CZ3 4.42Å; L1035-L1089 HydrophobicContact CB-CB 4.01Å; L1035-L1089 HydrophobicContact CB-CD1 4.13Å; L1035-L1089 HydrophobicContact CD1-CB 4.08Å; L1035-L1089 HydrophobicContact CD1-CD1 3.72Å; L1035-I1090 HydrophobicContact CD2-CG2 4.01Å |
| 1036 | I | 90.2 | Very high | 90.7 | Very high | 54 Ų | 54 | 27.7 Ų | 27.7 | 28% | 0.277 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -60 | -46.1 | 171.6 | -71.7 | 168.3 | 0 | 0 | 0 | 109.4 | P197 E1032 S1039 V1040 | P197-I1036 HydrophobicContact CG-CG2 4.21Å; E1032-I1036 HydrophobicContact CG-CD1 3.77Å; E1032-I1036 WeakPolarHBondContact O-CB 3.35Å; E1032-I1036 WeakPolarHBondContact O-CG1 3.36Å; E1032-I1036 PolarHBondContact O-N 3.3Å; I1036-S1039 WeakPolarHBondContact O-CB 3.18Å; I1036-S1039 PolarHBondContact O-N 3.03Å; I1036-S1039 VanDerWaalsContact O-N 3.15Å; I1036-S1039 PolarHBondContact O-OG 2.86Å; I1036-V1040 PolarHBondContact O-N 3.34Å; I1036-V1040 VanDerWaalsContact O-N 3.13Å |
| 1037 | Y | 91.8 | Very high | 90.8 | Very high | 34 Ų | 34 | 26 Ų | 26 | 13% | 0.133 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 174.8 | -178.9 | -108.5 | 0 | 0 | 0 | 112.2 | Y989 N1033 G1034 L1035 S1039 V1040 I1041 | Y989-Y1037 HydrophobicContact CD1-CD1 4.34Å; Y989-Y1037 HydrophobicContact CD1-CD2 4.18Å; Y989-Y1037 AromaticContact CD1-CG 3.93Å; Y989-Y1037 HydrophobicContact CD1-CG 3.93Å; Y989-Y1037 AromaticContact CD2-CD1 3.7Å; Y989-Y1037 HydrophobicContact CD2-CD1 3.7Å; Y989-Y1037 AromaticContact CD2-CD2 3.79Å; Y989-Y1037 HydrophobicContact CD2-CD2 3.79Å; Y989-Y1037 AromaticContact CD2-CE1 3.48Å; Y989-Y1037 HydrophobicContact CD2-CE1 3.48Å; Y989-Y1037 VanDerWaalsContact CD2-CE1 3.48Å; Y989-Y1037 AromaticContact CD2-CE2 3.63Å; Y989-Y1037 HydrophobicContact CD2-CE2 3.63Å; Y989-Y1037 AromaticContact CD2-CG 3.82Å; Y989-Y1037 HydrophobicContact CD2-CG 3.82Å; Y989-Y1037 AromaticContact CD2-CZ 3.47Å; Y989-Y1037 VanDerWaalsContact CD2-CZ 3.47Å; Y989-Y1037 HydrophobicContact CE1-CD2 4.28Å; Y989-Y1037 HydrophobicContact CE1-CG 4.48Å; Y989-Y1037 AromaticContact CE2-CD2 3.9Å; Y989-Y1037 HydrophobicContact CE2-CD2 3.9Å; Y989-Y1037 HydrophobicContact CE2-CE1 4.31Å; Y989-Y1037 AromaticContact CE2-CE2 3.63Å; Y989-Y1037 HydrophobicContact CE2-CE2 3.63Å; Y989-Y1037 HydrophobicContact CE2-CG 4.38Å; Y989-Y1037 AromaticContact CE2-CZ 3.85Å; Y989-Y1037 AromaticContact CG-CD1 3.55Å; Y989-Y1037 HydrophobicContact CG-CD1 3.55Å; Y989-Y1037 AromaticContact CG-CD2 3.94Å; Y989-Y1037 HydrophobicContact CG-CD2 3.94Å; Y989-Y1037 AromaticContact CG-CE1 3.83Å; Y989-Y1037 HydrophobicContact CG-CE1 3.83Å; Y989-Y1037 HydrophobicContact CG-CE2 4.26Å; Y989-Y1037 AromaticContact CG-CG 3.58Å; Y989-Y1037 HydrophobicContact CG-CG 3.58Å; N1033-Y1037 WeakPolarHBondContact O-CB 3.49Å; N1033-Y1037 PolarHBondContact O-N 3.4Å; G1034-Y1037 PolarHBondContact O-N 3.46Å; L1035-Y1037 VanDerWaalsContact C-N 3.32Å; Y1037-S1039 VanDerWaalsContact C-N 3.26Å; Y1037-S1039 PolarHBondContact O-N 2.79Å; Y1037-V1040 WeakPolarHBondContact O-CB 3.44Å; Y1037-V1040 PolarHBondContact O-N 3.36Å; Y1037-V1040 VanDerWaalsContact O-N 3.08Å; Y1037-I1041 HydrophobicContact CD1-CD1 3.5Å; Y1037-I1041 VanDerWaalsContact CD1-CD1 3.5Å; Y1037-I1041 HydrophobicContact CD1-CG1 4.33Å; Y1037-I1041 HydrophobicContact CE1-CD1 3.16Å; Y1037-I1041 HydrophobicContact CE1-CG1 4.05Å; Y1037-I1041 HydrophobicContact CE2-CD1 4.45Å; Y1037-I1041 HydrophobicContact CG-CD1 4.31Å; Y1037-I1041 WeakPolarHBondContact O-CG1 3.17Å; Y1037-I1041 PolarHBondContact O-N 3.44Å |
| 1038 | C | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.3 | -34 | 173.7 | -67.8 | 0 | 0 | 0 | 0 | 112.6 | L1010 G1034 L1035 I1041 L1042 I1090 | L1010-C1038 HydrophobicContact CD1-CB 3.83Å; G1034-C1038 PolarHBondContact O-N 3.01Å; G1034-C1038 PolarHBondContact O-SG 3.28Å; L1035-C1038 PolarHBondContact O-N 3.34Å; C1038-I1041 PolarHBondContact O-N 2.85Å; C1038-L1042 VanDerWaalsContact O-CB 3.25Å; C1038-L1042 WeakPolarHBondContact O-CB 3.43Å; C1038-L1042 PolarHBondContact O-N 3.4Å; C1038-I1090 HydrophobicContact CB-CD1 3.83Å |
| 1039 | S | 90.5 | Very high | 90.9 | Very high | 5 Ų | 5 | 17.4 Ų | 17.4 | 4% | 0.035 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.8 | -37.6 | 174.7 | 80.3 | 0 | 0 | 0 | 0 | 112 | L1035 I1036 Y1037 L1042 Q1043 | L1035-S1039 PolarHBondContact O-N 3.4Å; I1036-S1039 WeakPolarHBondContact O-CB 3.18Å; I1036-S1039 PolarHBondContact O-N 3.03Å; I1036-S1039 VanDerWaalsContact O-N 3.15Å; I1036-S1039 PolarHBondContact O-OG 2.86Å; Y1037-S1039 VanDerWaalsContact C-N 3.26Å; Y1037-S1039 PolarHBondContact O-N 2.79Å; S1039-L1042 PolarHBondContact O-N 3.17Å; S1039-Q1043 PolarHBondContact O-N 3.22Å |
| 1040 | V | 89.9 | Confident | 90.8 | Very high | 28 Ų | 28 | 16 Ų | 16 | 17% | 0.17 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -67.3 | -42.4 | 174.6 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | P197 S199 I1036 Y1037 L1042 Q1043 K1044 | P197-V1040 HydrophobicContact CB-CG2 4.1Å; P197-V1040 HydrophobicContact CG-CG2 3.54Å; S199-V1040 WeakPolarHBondContact CB-O 3.25Å; S199-V1040 PolarHBondContact OG-O 3.24Å; I1036-V1040 PolarHBondContact O-N 3.34Å; I1036-V1040 VanDerWaalsContact O-N 3.13Å; Y1037-V1040 WeakPolarHBondContact O-CB 3.44Å; Y1037-V1040 PolarHBondContact O-N 3.36Å; Y1037-V1040 VanDerWaalsContact O-N 3.08Å; V1040-L1042 VanDerWaalsContact C-N 3.33Å; V1040-Q1043 WeakPolarHBondContact O-CB 3.44Å; V1040-Q1043 PolarHBondContact O-N 3.36Å; V1040-K1044 PolarHBondContact O-N 2.94Å |
| 1041 | I | 91.8 | Very high | 90.4 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 174.7 | -64.3 | 165.7 | 0 | 0 | 0 | 110.7 | V1006 E1009 L1010 Y1037 C1038 Q1043 K1044 G1045 | V1006-I1041 HydrophobicContact CG1-CG2 3.77Å; V1006-I1041 WeakPolarHBondContact O-CG2 3.49Å; E1009-I1041 HydrophobicContact CB-CD1 3.71Å; E1009-I1041 HydrophobicContact CB-CG1 4.42Å; E1009-I1041 HydrophobicContact CB-CG2 4.25Å; L1010-I1041 HydrophobicContact CB-CG2 3.83Å; Y1037-I1041 HydrophobicContact CD1-CD1 3.5Å; Y1037-I1041 VanDerWaalsContact CD1-CD1 3.5Å; Y1037-I1041 HydrophobicContact CD1-CG1 4.33Å; Y1037-I1041 HydrophobicContact CE1-CD1 3.16Å; Y1037-I1041 HydrophobicContact CE1-CG1 4.05Å; Y1037-I1041 HydrophobicContact CE2-CD1 4.45Å; Y1037-I1041 HydrophobicContact CG-CD1 4.31Å; Y1037-I1041 WeakPolarHBondContact O-CG1 3.17Å; Y1037-I1041 PolarHBondContact O-N 3.44Å; C1038-I1041 PolarHBondContact O-N 2.85Å; I1041-Q1043 VanDerWaalsContact C-N 3.34Å; I1041-Q1043 PolarHBondContact O-N 3.42Å; I1041-K1044 CarbonylContact O-C 3.54Å; I1041-K1044 WeakPolarHBondContact O-CA 3.46Å; I1041-K1044 WeakPolarHBondContact O-CB 3.41Å; I1041-K1044 PolarHBondContact O-N 3.44Å; I1041-K1044 VanDerWaalsContact O-N 3.13Å; I1041-G1045 PolarHBondContact O-N 2.99Å |
| 1042 | L | 90.8 | Very high | 90.1 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.7 | -42.8 | 176.4 | 172.5 | 153.5 | 0 | 0 | 0 | 111.1 | F178 C1038 S1039 V1040 K1044 G1045 F1046 I1090 V1092 | F178-L1042 HydrophobicContact CD2-CD2 4.35Å; C1038-L1042 VanDerWaalsContact O-CB 3.25Å; C1038-L1042 WeakPolarHBondContact O-CB 3.43Å; C1038-L1042 PolarHBondContact O-N 3.4Å; S1039-L1042 PolarHBondContact O-N 3.17Å; V1040-L1042 VanDerWaalsContact C-N 3.33Å; L1042-K1044 VanDerWaalsContact C-N 3.3Å; L1042-K1044 PolarHBondContact O-N 3.27Å; L1042-G1045 PolarHBondContact O-N 3.11Å; L1042-G1045 VanDerWaalsContact O-N 3.17Å; L1042-F1046 HydrophobicContact CD1-CE2 4.36Å; L1042-F1046 HydrophobicContact CD2-CD2 3.6Å; L1042-F1046 HydrophobicContact CD2-CE2 3.5Å; L1042-F1046 VanDerWaalsContact CD2-CE2 3.5Å; L1042-F1046 HydrophobicContact CG-CD2 3.95Å; L1042-F1046 HydrophobicContact CG-CE2 3.66Å; L1042-F1046 WeakPolarHBondContact O-CD2 3.02Å; L1042-F1046 PolarHBondContact O-N 3.13Å; L1042-I1090 HydrophobicContact CD1-CD1 4.03Å; L1042-I1090 HydrophobicContact CD1-CG1 3.86Å; L1042-V1092 HydrophobicContact CD1-CG2 3.47Å; L1042-V1092 VanDerWaalsContact CD1-CG2 3.47Å |
| 1043 | Q | 89.8 | Confident | 89.9 | Confident | 9 Ų | 9 | 26.8 Ų | 26.8 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.5 | -43.2 | 172 | -168.3 | -175.2 | 7.3 | 0 | 0 | 111.7 | F178 P197 L198 V202 W207 S1039 V1040 I1041 G1045 F1046 S1047 | F178-Q1043 HydrophobicContact CD2-CB 3.96Å; F178-Q1043 HydrophobicContact CD2-CG 4.07Å; F178-Q1043 HydrophobicContact CE2-CB 3.62Å; F178-Q1043 HydrophobicContact CE2-CG 4.01Å; F178-Q1043 HydrophobicContact CZ-CB 4.42Å; P197-Q1043 PolarHBondContact O-OE1 3.46Å; L198-Q1043 VanDerWaalsContact CD2-NE2 3.27Å; V202-Q1043 HydrophobicContact CG1-CG 4.44Å; W207-Q1043 HydrophobicContact CH2-CG 4.25Å; S1039-Q1043 PolarHBondContact O-N 3.22Å; V1040-Q1043 WeakPolarHBondContact O-CB 3.44Å; V1040-Q1043 PolarHBondContact O-N 3.36Å; I1041-Q1043 VanDerWaalsContact C-N 3.34Å; I1041-Q1043 PolarHBondContact O-N 3.42Å; Q1043-G1045 VanDerWaalsContact C-N 3.35Å; Q1043-F1046 PolarHBondContact O-N 2.94Å; Q1043-S1047 PolarHBondContact O-N 3.34Å |
| 1044 | K | 89.7 | Confident | 89.7 | Confident | 8 Ų | 8 | 23.9 Ų | 23.9 | 4% | 0.035 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.1 | -45.9 | 174.5 | -161.7 | 176 | 179.6 | 155.4 | 0 | 111.3 | S199 D200 Q201 F1000 V1006 V1040 I1041 L1042 F1046 S1047 Y1048 | S199-K1044 VanDerWaalsContact OG-CB 3.28Å; S199-K1044 WeakPolarHBondContact OG-CB 3.28Å; D200-K1044 WeakPolarHBondContact OD1-CD 3.46Å; D200-K1044 WeakPolarHBondContact OD1-CE 3.4Å; D200-K1044 IonicContact OD1-NZ 3.92Å; D200-K1044 PolarHBondContact OD1-NZ 3.47Å; D200-K1044 IonicContact OD2-NZ 3.38Å; D200-K1044 PolarHBondContact OD2-NZ 3.16Å; Q201-K1044 HydrophobicContact CB-CG 4.07Å; Q201-K1044 HydrophobicContact CG-CG 4.48Å; F1000-K1044 VanDerWaalsContact CE2-CE 3.48Å; V1006-K1044 HydrophobicContact CG1-CB 3.83Å; V1006-K1044 HydrophobicContact CG1-CD 4.01Å; V1006-K1044 HydrophobicContact CG1-CG 3.95Å; V1006-K1044 HydrophobicContact CG2-CD 3.87Å; V1006-K1044 HydrophobicContact CG2-CG 4.04Å; V1040-K1044 PolarHBondContact O-N 2.94Å; I1041-K1044 CarbonylContact O-C 3.54Å; I1041-K1044 WeakPolarHBondContact O-CA 3.46Å; I1041-K1044 WeakPolarHBondContact O-CB 3.41Å; I1041-K1044 PolarHBondContact O-N 3.44Å; I1041-K1044 VanDerWaalsContact O-N 3.13Å; L1042-K1044 VanDerWaalsContact C-N 3.3Å; L1042-K1044 PolarHBondContact O-N 3.27Å; K1044-F1046 VanDerWaalsContact C-N 3.33Å; K1044-F1046 PolarHBondContact O-N 3.24Å; K1044-S1047 VanDerWaalsContact O-CB 3.27Å; K1044-S1047 WeakPolarHBondContact O-CB 3.37Å; K1044-S1047 PolarHBondContact O-N 3.34Å; K1044-S1047 VanDerWaalsContact O-N 3.07Å; K1044-S1047 PolarHBondContact O-OG 2.92Å; K1044-Y1048 WeakPolarHBondContact O-CD2 3.27Å; K1044-Y1048 WeakPolarHBondContact O-CE2 3.39Å |
| 1045 | G | 90.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.8 | -40.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1041 L1042 Q1043 S1047 Y1048 F1056 | I1041-G1045 PolarHBondContact O-N 2.99Å; L1042-G1045 PolarHBondContact O-N 3.11Å; L1042-G1045 VanDerWaalsContact O-N 3.17Å; Q1043-G1045 VanDerWaalsContact C-N 3.35Å; G1045-S1047 PolarHBondContact O-N 2.98Å; G1045-Y1048 WeakPolarHBondContact O-CB 3.47Å; G1045-Y1048 PolarHBondContact O-N 2.84Å; G1045-F1056 WeakPolarHBondContact O-CE1 3.42Å |
| 1046 | F | 89.5 | Confident | 89.6 | Confident | 11 Ų | 11 | 23.8 Ų | 23.8 | 5% | 0.048 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65 | -22.9 | 174.5 | -79.5 | -61.3 | 0 | 0 | 0 | 113.8 | H203 L1042 Q1043 K1044 Y1048 F1049 F1056 V1092 T1096 | H203-F1046 PolarHBondContact CD2-O 3.29Å; H203-F1046 PolarHBondContact NE2-O 2.91Å; L1042-F1046 HydrophobicContact CD1-CE2 4.36Å; L1042-F1046 HydrophobicContact CD2-CD2 3.6Å; L1042-F1046 HydrophobicContact CD2-CE2 3.5Å; L1042-F1046 VanDerWaalsContact CD2-CE2 3.5Å; L1042-F1046 HydrophobicContact CG-CD2 3.95Å; L1042-F1046 HydrophobicContact CG-CE2 3.66Å; L1042-F1046 WeakPolarHBondContact O-CD2 3.02Å; L1042-F1046 PolarHBondContact O-N 3.13Å; Q1043-F1046 PolarHBondContact O-N 2.94Å; K1044-F1046 VanDerWaalsContact C-N 3.33Å; K1044-F1046 PolarHBondContact O-N 3.24Å; F1046-Y1048 PolarHBondContact O-N 3.27Å; F1046-Y1048 VanDerWaalsContact O-N 3.15Å; F1046-F1049 HydrophobicContact CD1-CB 3.93Å; F1046-F1049 HydrophobicContact CD1-CD1 4.3Å; F1046-F1049 HydrophobicContact CD1-CG 4.1Å; F1046-F1049 WeakPolarHBondContact O-CB 3.18Å; F1046-F1049 PolarHBondContact O-N 3.41Å; F1046-F1056 HydrophobicContact CD1-CE1 4.36Å; F1046-F1056 HydrophobicContact CD1-CZ 4.4Å; F1046-F1056 HydrophobicContact CE1-CZ 4.18Å; F1046-V1092 HydrophobicContact CZ-CG1 4.23Å; F1046-T1096 HydrophobicContact CE1-CG2 3.61Å; F1046-T1096 HydrophobicContact CZ-CG2 3.95Å |
| 1047 | S | 89.1 | Confident | 89.6 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.007 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19.6 | 171 | 81.1 | 0 | 0 | 0 | 0 | 113.6 | H203 Q1043 K1044 G1045 L1063 | H203-S1047 PolarHBondContact CE1-O 3.22Å; H203-S1047 WeakPolarHBondContact NE2-CA 3.23Å; Q1043-S1047 PolarHBondContact O-N 3.34Å; K1044-S1047 VanDerWaalsContact O-CB 3.27Å; K1044-S1047 WeakPolarHBondContact O-CB 3.37Å; K1044-S1047 PolarHBondContact O-N 3.34Å; K1044-S1047 VanDerWaalsContact O-N 3.07Å; K1044-S1047 PolarHBondContact O-OG 2.92Å; G1045-S1047 PolarHBondContact O-N 2.98Å; S1047-L1063 WeakPolarHBondContact O-CD2 3.45Å |
| 1048 | Y | 90.2 | Very high | 89.4 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -3.1 | 174.1 | -59.4 | -99.2 | 0 | 0 | 0 | 112.9 | Q201 A1001 A1003 V1006 K1044 G1045 F1046 F1056 A1057 R1060 | Q201-Y1048 PolarHBondContact NE2-OH 3.44Å; Q201-Y1048 PolarHBondContact OE1-OH 2.93Å; A1001-Y1048 PolarHBondContact O-OH 2.86Å; A1003-Y1048 HydrophobicContact CB-CD1 3.69Å; A1003-Y1048 HydrophobicContact CB-CD2 4.31Å; A1003-Y1048 HydrophobicContact CB-CE1 4.34Å; A1003-Y1048 HydrophobicContact CB-CG 3.7Å; V1006-Y1048 HydrophobicContact CG2-CE2 3.91Å; K1044-Y1048 WeakPolarHBondContact O-CD2 3.27Å; K1044-Y1048 WeakPolarHBondContact O-CE2 3.39Å; G1045-Y1048 WeakPolarHBondContact O-CB 3.47Å; G1045-Y1048 PolarHBondContact O-N 2.84Å; F1046-Y1048 PolarHBondContact O-N 3.27Å; F1046-Y1048 VanDerWaalsContact O-N 3.15Å; Y1048-F1056 WeakPolarHBondContact O-CA 3.46Å; Y1048-A1057 PolarHBondContact O-N 3.19Å; Y1048-R1060 HydrophobicContact CD1-CB 4.06Å; Y1048-R1060 HydrophobicContact CE1-CB 3.9Å |
| 1049 | F | 90 | Very high | 89.2 | Confident | 5 Ų | 5 | 20.6 Ų | 20.6 | 2% | 0.022 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 128.5 | -179.2 | -172.9 | -109.6 | 0 | 0 | 0 | 110.7 | H203 F1046 P1051 A1055 F1056 T1096 I1100 | H203-F1049 PolarHBondContact NE2-O 2.84Å; F1046-F1049 HydrophobicContact CD1-CB 3.93Å; F1046-F1049 HydrophobicContact CD1-CD1 4.3Å; F1046-F1049 HydrophobicContact CD1-CG 4.1Å; F1046-F1049 WeakPolarHBondContact O-CB 3.18Å; F1046-F1049 PolarHBondContact O-N 3.41Å; F1049-P1051 HydrophobicContact CE1-CB 4.43Å; F1049-P1051 WeakPolarHBondContact O-CD 3.21Å; F1049-A1055 WeakPolarHBondContact CD2-O 3.41Å; F1049-F1056 HydrophobicContact CB-CD1 3.87Å; F1049-F1056 HydrophobicContact CB-CE1 3.59Å; F1049-F1056 HydrophobicContact CB-CZ 4.3Å; F1049-F1056 HydrophobicContact CD2-CD1 4.06Å; F1049-F1056 HydrophobicContact CD2-CD2 4.19Å; F1049-F1056 AromaticContact CD2-CE1 3.76Å; F1049-F1056 HydrophobicContact CD2-CE1 3.76Å; F1049-F1056 AromaticContact CD2-CE2 3.91Å; F1049-F1056 HydrophobicContact CD2-CE2 3.91Å; F1049-F1056 HydrophobicContact CD2-CG 4.27Å; F1049-F1056 AromaticContact CD2-CZ 3.67Å; F1049-F1056 HydrophobicContact CD2-CZ 3.67Å; F1049-F1056 HydrophobicContact CE2-CE2 4.4Å; F1049-F1056 HydrophobicContact CE2-CZ 4.43Å; F1049-F1056 HydrophobicContact CG-CD1 4.48Å; F1049-F1056 HydrophobicContact CG-CE1 4.09Å; F1049-F1056 HydrophobicContact CG-CZ 4.33Å; F1049-T1096 HydrophobicContact CE2-CG2 4.43Å; F1049-T1096 HydrophobicContact CZ-CG2 4.17Å; F1049-I1100 HydrophobicContact CE2-CD1 4.44Å; F1049-I1100 HydrophobicContact CE2-CG1 4.01Å |
| 1050 | N | 89.6 | Confident | 88.8 | Confident | 11 Ų | 11 | 21.6 Ų | 21.6 | 6% | 0.059 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 108.6 | 170.4 | -171.7 | -28.5 | 0 | 0 | 0 | 109.4 | K1052 I1053 G1054 A1055 L1063 T1066 | N1050-K1052 VanDerWaalsContact C-N 3.26Å; N1050-K1052 PolarHBondContact O-N 3.21Å; N1050-K1052 WeakPolarHBondContact OD1-CB 3.42Å; N1050-K1052 PolarHBondContact OD1-N 3.29Å; N1050-K1052 VanDerWaalsContact OD1-N 3.07Å; N1050-I1053 HydrophobicContact CB-CB 4.47Å; N1050-I1053 WeakPolarHBondContact ND2-CD1 3.4Å; N1050-I1053 PolarHBondContact O-N 3.02Å; N1050-G1054 WeakPolarHBondContact O-CA 3.31Å; N1050-G1054 PolarHBondContact O-N 2.89Å; N1050-A1055 PolarHBondContact N-O 3.11Å; N1050-L1063 HydrophobicContact CB-CB 4.4Å; N1050-L1063 PolarHBondContact ND2-O 3.24Å; N1050-T1066 HydrophobicContact CB-CG2 4.28Å |
| 1051 | P | 82.7 | Confident | 88.3 | Confident | 57 Ų | 57 | 22.5 Ų | 22.5 | 37% | 0.37 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -26.1 | -176.1 | 30.2 | -39.3 | 0 | 0 | 0 | 113.1 | F1049 | F1049-P1051 HydrophobicContact CE1-CB 4.43Å; F1049-P1051 WeakPolarHBondContact O-CD 3.21Å |
| 1052 | K | 86 | Confident | 87.8 | Confident | 200 Ų | 200 | 25 Ų | 25 | 87% | 0.87 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -36.5 | -179.4 | -64.5 | -179 | -179.6 | 175.8 | 0 | 112.1 | N1050 | N1050-K1052 VanDerWaalsContact C-N 3.26Å; N1050-K1052 PolarHBondContact O-N 3.21Å; N1050-K1052 WeakPolarHBondContact OD1-CB 3.42Å; N1050-K1052 PolarHBondContact OD1-N 3.29Å; N1050-K1052 VanDerWaalsContact OD1-N 3.07Å |
| 1053 | I | 86.4 | Confident | 87.5 | Confident | 67 Ų | 67 | 27 Ų | 27 | 34% | 0.344 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -31.8 | -178.3 | -58.3 | 171.6 | 0 | 0 | 0 | 110.9 | N1050 A1055 T1066 Y1103 | N1050-I1053 HydrophobicContact CB-CB 4.47Å; N1050-I1053 WeakPolarHBondContact ND2-CD1 3.4Å; N1050-I1053 PolarHBondContact O-N 3.02Å; I1053-A1055 HydrophobicContact CG2-CB 4.11Å; I1053-T1066 HydrophobicContact CD1-CG2 4.02Å; I1053-T1066 HydrophobicContact CG2-CG2 4.49Å; I1053-Y1103 HydrophobicContact CG2-CD2 3.47Å; I1053-Y1103 VanDerWaalsContact CG2-CD2 3.47Å; I1053-Y1103 HydrophobicContact CG2-CE2 3.65Å |
| 1054 | G | 87.3 | Confident | 87.1 | Confident | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 29.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N1050 S1099 I1100 | N1050-G1054 WeakPolarHBondContact O-CA 3.31Å; N1050-G1054 PolarHBondContact O-N 2.89Å; G1054-S1099 CarbonylContact O-C 3.59Å; G1054-I1100 VanDerWaalsContact O-CA 3.3Å; G1054-I1100 WeakPolarHBondContact O-CA 3.5Å; G1054-I1100 PolarHBondContact O-N 2.89Å |
| 1055 | A | 91.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 165.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1049 N1050 I1053 T1066 T1071 Y1103 | F1049-A1055 WeakPolarHBondContact CD2-O 3.41Å; N1050-A1055 PolarHBondContact N-O 3.11Å; I1053-A1055 HydrophobicContact CG2-CB 4.11Å; A1055-T1066 HydrophobicContact CB-CG2 3.89Å; A1055-T1071 HydrophobicContact CB-CG2 4.43Å; A1055-Y1103 HydrophobicContact CB-CD1 3.44Å; A1055-Y1103 VanDerWaalsContact CB-CD1 3.44Å; A1055-Y1103 HydrophobicContact CB-CD2 3.68Å; A1055-Y1103 HydrophobicContact CB-CE1 3.5Å; A1055-Y1103 HydrophobicContact CB-CE2 3.74Å; A1055-Y1103 HydrophobicContact CB-CG 3.51Å |
| 1056 | F | 91.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 134.2 | 177 | -66.4 | -82.9 | 0 | 0 | 0 | 111.2 | F1007 G1045 F1046 Y1048 F1049 D1067 V1070 T1071 A1074 L1078 I1100 | F1007-F1056 AromaticContact CE2-CD1 3.8Å; F1007-F1056 HydrophobicContact CE2-CD1 3.8Å; F1007-F1056 AromaticContact CE2-CE1 3.9Å; F1007-F1056 HydrophobicContact CE2-CE1 3.9Å; F1007-F1056 HydrophobicContact CE2-CG 4.15Å; F1007-F1056 HydrophobicContact CE2-CZ 4.32Å; F1007-F1056 AromaticContact CZ-CD1 3.88Å; F1007-F1056 HydrophobicContact CZ-CD1 3.88Å; F1007-F1056 AromaticContact CZ-CE1 3.46Å; F1007-F1056 HydrophobicContact CZ-CE1 3.46Å; F1007-F1056 VanDerWaalsContact CZ-CE1 3.46Å; F1007-F1056 HydrophobicContact CZ-CE2 4.22Å; F1007-F1056 HydrophobicContact CZ-CG 4.43Å; F1007-F1056 AromaticContact CZ-CZ 3.66Å; F1007-F1056 HydrophobicContact CZ-CZ 3.66Å; G1045-F1056 WeakPolarHBondContact O-CE1 3.42Å; F1046-F1056 HydrophobicContact CD1-CE1 4.36Å; F1046-F1056 HydrophobicContact CD1-CZ 4.4Å; F1046-F1056 HydrophobicContact CE1-CZ 4.18Å; Y1048-F1056 WeakPolarHBondContact O-CA 3.46Å; F1049-F1056 HydrophobicContact CB-CD1 3.87Å; F1049-F1056 HydrophobicContact CB-CE1 3.59Å; F1049-F1056 HydrophobicContact CB-CZ 4.3Å; F1049-F1056 HydrophobicContact CD2-CD1 4.06Å; F1049-F1056 HydrophobicContact CD2-CD2 4.19Å; F1049-F1056 AromaticContact CD2-CE1 3.76Å; F1049-F1056 HydrophobicContact CD2-CE1 3.76Å; F1049-F1056 AromaticContact CD2-CE2 3.91Å; F1049-F1056 HydrophobicContact CD2-CE2 3.91Å; F1049-F1056 HydrophobicContact CD2-CG 4.27Å; F1049-F1056 AromaticContact CD2-CZ 3.67Å; F1049-F1056 HydrophobicContact CD2-CZ 3.67Å; F1049-F1056 HydrophobicContact CE2-CE2 4.4Å; F1049-F1056 HydrophobicContact CE2-CZ 4.43Å; F1049-F1056 HydrophobicContact CG-CD1 4.48Å; F1049-F1056 HydrophobicContact CG-CE1 4.09Å; F1049-F1056 HydrophobicContact CG-CZ 4.33Å; F1056-D1067 PolarHBondContact O-N 3.42Å; F1056-V1070 HydrophobicContact CB-CG1 4.21Å; F1056-T1071 HydrophobicContact CD2-CG2 4.35Å; F1056-T1071 PolarHBondContact N-OG1 2.91Å; F1056-T1071 VanDerWaalsContact N-OG1 3.09Å; F1056-T1071 PolarHBondContact O-OG1 3.02Å; F1056-A1074 HydrophobicContact CD2-CB 3.38Å; F1056-A1074 HydrophobicContact CE2-CB 3.58Å; F1056-A1074 HydrophobicContact CG-CB 3.94Å; F1056-A1074 HydrophobicContact CZ-CB 4.29Å; F1056-L1078 HydrophobicContact CE2-CD1 3.93Å; F1056-L1078 HydrophobicContact CZ-CD1 3.91Å; F1056-I1100 HydrophobicContact CE2-CD1 3.7Å; F1056-I1100 HydrophobicContact CE2-CG1 4.28Å; F1056-I1100 HydrophobicContact CZ-CD1 4.43Å |
| 1057 | A | 90.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -88.8 | 155.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A1003 Y1048 R1062 | A1003-A1057 VanDerWaalsContact CB-O 3.25Å; A1003-A1057 WeakPolarHBondContact CB-O 3.35Å; Y1048-A1057 PolarHBondContact O-N 3.19Å; A1057-R1062 WeakPolarHBondContact CB-O 3.39Å |
| 1058 | N | 87.9 | Confident | 86.6 | Confident | 11 Ų | 11 | 37.6 Ų | 37.6 | 6% | 0.059 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -72.2 | -34.8 | 179.1 | -163.2 | 33.5 | 0 | 0 | 0 | 112.5 | S1002 A1003 V1070 I1140 | S1002-N1058 CarbonylContact C-O 3.41Å; S1002-N1058 WeakPolarHBondContact CA-O 3.47Å; S1002-N1058 WeakPolarHBondContact CB-OD1 3.07Å; A1003-N1058 PolarHBondContact N-O 3.03Å; N1058-V1070 HydrophobicContact CB-CG2 4.12Å; N1058-I1140 HydrophobicContact CB-CD1 4.11Å |
| 1059 | F | 87.6 | Confident | 86.6 | Confident | 10 Ų | 10 | 38.1 Ų | 38.1 | 4% | 0.044 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -124.5 | 138.1 | 179.1 | -65.2 | -77 | 0 | 0 | 0 | 111.1 | A1001 D1061 R1062 M1474 R1505 F1517 D1519 | A1001-F1059 HydrophobicContact CB-CE1 4.37Å; F1059-D1061 PolarHBondContact O-N 3.34Å; F1059-R1062 CarbonylContact O-C 3.52Å; F1059-R1062 PolarHBondContact O-N 2.93Å; F1059-M1474 HydrophobicContact CZ-SD 4.14Å; F1059-R1505 HydrophobicContact CD1-CB 4.08Å; F1059-R1505 HydrophobicContact CD2-CB 3.49Å; F1059-R1505 VanDerWaalsContact CD2-CB 3.49Å; F1059-R1505 HydrophobicContact CD2-CG 3.78Å; F1059-R1505 HydrophobicContact CE1-CB 4.02Å; F1059-R1505 HydrophobicContact CE2-CB 3.42Å; F1059-R1505 VanDerWaalsContact CE2-CB 3.42Å; F1059-R1505 HydrophobicContact CE2-CG 3.59Å; F1059-R1505 HydrophobicContact CG-CB 3.83Å; F1059-R1505 HydrophobicContact CZ-CB 3.7Å; F1059-R1505 HydrophobicContact CZ-CG 4.24Å; F1059-F1517 HydrophobicContact CE1-CB 4.36Å; F1059-D1519 WeakPolarHBondContact CE2-OD1 3.48Å |
| 1060 | R | 82.2 | Confident | 86.6 | Confident | 26 Ų | 26 | 38 Ų | 38 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -62.3 | -36.4 | -173.9 | 174.6 | 174.8 | 169 | -129.6 | -8 | 114.2 | V202 E204 E226 Y1048 R1062 L1063 | V202-R1060 VanDerWaalsContact O-CZ 3.3Å; V202-R1060 PolarHBondContact O-NH2 3.25Å; E204-R1060 IonicContact OE1-NH2 2.87Å; E204-R1060 PolarHBondContact OE1-NH2 3.28Å; E226-R1060 IonicContact OE2-CZ 2.69Å; E226-R1060 IonicContact OE2-NH1 3.03Å; E226-R1060 PolarHBondContact OE2-NH1 3.02Å; E226-R1060 IonicContact OE2-NH2 3.54Å; E226-R1060 PolarHBondContact OE2-NH2 3.18Å; Y1048-R1060 HydrophobicContact CD1-CB 4.06Å; Y1048-R1060 HydrophobicContact CE1-CB 3.9Å; R1060-R1062 PolarHBondContact O-N 2.93Å; R1060-L1063 WeakPolarHBondContact O-CD2 3.31Å; R1060-L1063 VanDerWaalsContact O-CG 3.3Å; R1060-L1063 WeakPolarHBondContact O-CG 3.4Å |
| 1061 | D | 79.9 | Confident | 86.8 | Confident | 47 Ų | 47 | 37.4 Ų | 37.4 | 25% | 0.251 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -75.2 | -6.4 | -178.6 | -67.5 | -47.9 | 0 | 0 | 0 | 113.1 | F1059 R1493 | F1059-D1061 PolarHBondContact O-N 3.34Å; D1061-R1493 IonicContact OD1-CZ 3.2Å; D1061-R1493 VanDerWaalsContact OD1-CZ 3.29Å; D1061-R1493 IonicContact OD1-NE 3.42Å; D1061-R1493 PolarHBondContact OD1-NE 2.87Å; D1061-R1493 IonicContact OD1-NH2 2.89Å; D1061-R1493 PolarHBondContact OD1-NH2 3.27Å; D1061-R1493 IonicContact OD2-NE 2.62Å |
| 1062 | R | 81.6 | Confident | 87.2 | Confident | 57 Ų | 57 | 34.7 Ų | 34.7 | 22% | 0.215 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -128.1 | 60.2 | 177.7 | -61.2 | -159 | -174.4 | -176.7 | 6.9 | 112.1 | A1057 F1059 R1060 D1064 E1065 | A1057-R1062 WeakPolarHBondContact CB-O 3.39Å; F1059-R1062 CarbonylContact O-C 3.52Å; F1059-R1062 PolarHBondContact O-N 2.93Å; R1060-R1062 PolarHBondContact O-N 2.93Å; R1062-D1064 PolarHBondContact O-N 3.42Å; R1062-E1065 HydrophobicContact CB-CB 4.32Å; R1062-E1065 HydrophobicContact CB-CG 4.33Å; R1062-E1065 VanDerWaalsContact CD-CD 3.46Å; R1062-E1065 VanDerWaalsContact CD-OE1 3.23Å; R1062-E1065 WeakPolarHBondContact CD-OE1 3.47Å; R1062-E1065 IonicContact CZ-OE1 3.78Å; R1062-E1065 IonicContact NE-OE1 2.62Å; R1062-E1065 IonicContact NH1-OE1 3.61Å; R1062-E1065 PolarHBondContact NH1-OE1 3.17Å; R1062-E1065 IonicContact NH1-OE2 3.27Å; R1062-E1065 PolarHBondContact O-N 2.79Å |
| 1063 | L | 83.4 | Confident | 87.5 | Confident | 43 Ų | 43 | 25.6 Ų | 25.6 | 23% | 0.225 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -17.1 | 178.4 | -60.8 | 178.9 | 0 | 0 | 0 | 114.1 | S1047 N1050 R1060 | S1047-L1063 WeakPolarHBondContact O-CD2 3.45Å; N1050-L1063 HydrophobicContact CB-CB 4.4Å; N1050-L1063 PolarHBondContact ND2-O 3.24Å; R1060-L1063 WeakPolarHBondContact O-CD2 3.31Å; R1060-L1063 VanDerWaalsContact O-CG 3.3Å; R1060-L1063 WeakPolarHBondContact O-CG 3.4Å |
| 1064 | D | 82.9 | Confident | 87.8 | Confident | 137 Ų | 137 | 22.4 Ų | 22.4 | 73% | 0.733 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -23.7 | 176.4 | -59.4 | -35.8 | 0 | 0 | 0 | 112.4 | R1062 T1066 | R1062-D1064 PolarHBondContact O-N 3.42Å; D1064-T1066 VanDerWaalsContact C-N 3.3Å; D1064-T1066 PolarHBondContact O-N 3.17Å; D1064-T1066 VanDerWaalsContact O-N 3.09Å |
| 1065 | E | 84.4 | Confident | 88.1 | Confident | 71 Ų | 71 | 22.3 Ų | 22.3 | 33% | 0.332 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -87.5 | 64.2 | 178.9 | -67.3 | -179.5 | -167.1 | 0 | 0 | 111.1 | R1062 | R1062-E1065 HydrophobicContact CB-CB 4.32Å; R1062-E1065 HydrophobicContact CB-CG 4.33Å; R1062-E1065 VanDerWaalsContact CD-CD 3.46Å; R1062-E1065 VanDerWaalsContact CD-OE1 3.23Å; R1062-E1065 WeakPolarHBondContact CD-OE1 3.47Å; R1062-E1065 IonicContact CZ-OE1 3.78Å; R1062-E1065 IonicContact NE-OE1 2.62Å; R1062-E1065 IonicContact NH1-OE1 3.61Å; R1062-E1065 PolarHBondContact NH1-OE1 3.17Å; R1062-E1065 IonicContact NH1-OE2 3.27Å; R1062-E1065 PolarHBondContact O-N 2.79Å |
| 1066 | T | 86.8 | Confident | 88.1 | Confident | 25 Ų | 25 | 22.4 Ų | 22.4 | 15% | 0.153 | 11% | 0.112 | C | C | . | . | B | Isolated β-bridge | trans | -72.1 | 141.9 | 177.3 | 58.5 | 0 | 0 | 0 | 0 | 112.2 | N1050 I1053 A1055 D1064 Y1103 | N1050-T1066 HydrophobicContact CB-CG2 4.28Å; I1053-T1066 HydrophobicContact CD1-CG2 4.02Å; I1053-T1066 HydrophobicContact CG2-CG2 4.49Å; A1055-T1066 HydrophobicContact CB-CG2 3.89Å; D1064-T1066 VanDerWaalsContact C-N 3.3Å; D1064-T1066 PolarHBondContact O-N 3.17Å; D1064-T1066 VanDerWaalsContact O-N 3.09Å; T1066-Y1103 PolarHBondContact OG1-OH 3.49Å |
| 1067 | D | 86.9 | Confident | 88.2 | Confident | 6 Ų | 6 | 22.4 Ų | 22.4 | 3% | 0.032 | 11% | 0.112 | C | C | . | . | trans | -125.5 | 123.4 | -178.8 | -173.6 | -15.2 | 0 | 0 | 0 | 110.4 | F1056 L1069 V1070 T1071 I1140 | F1056-D1067 PolarHBondContact O-N 3.42Å; D1067-L1069 PolarHBondContact O-N 2.98Å; D1067-L1069 WeakPolarHBondContact OD1-CB 3.35Å; D1067-L1069 PolarHBondContact OD1-N 3.13Å; D1067-V1070 HydrophobicContact CB-CB 4.21Å; D1067-V1070 HydrophobicContact CB-CG2 3.98Å; D1067-V1070 PolarHBondContact O-N 2.85Å; D1067-T1071 VanDerWaalsContact O-CB 3.31Å; D1067-T1071 WeakPolarHBondContact O-CB 3.31Å; D1067-T1071 PolarHBondContact O-N 2.7Å; D1067-T1071 PolarHBondContact O-OG1 3.38Å; D1067-I1140 VanDerWaalsContact OD2-CD1 3.31Å; D1067-I1140 WeakPolarHBondContact OD2-CD1 3.47Å | ||
| 1068 | P | 89.9 | Confident | 88.3 | Confident | 14 Ų | 14 | 22.4 Ų | 22.4 | 9% | 0.091 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -54 | -34.7 | 172.9 | -24.9 | 34.4 | 0 | 0 | 0 | 114.2 | A1072 Y1103 L1104 W1134 | P1068-A1072 WeakPolarHBondContact O-CB 3.33Å; P1068-A1072 PolarHBondContact O-N 3.47Å; P1068-Y1103 HydrophobicContact CB-CE1 4.5Å; P1068-Y1103 HydrophobicContact CG-CE1 4.26Å; P1068-L1104 HydrophobicContact CB-CD2 4.23Å; P1068-W1134 HydrophobicContact CB-CB 4.33Å; P1068-W1134 HydrophobicContact CB-CG 4.14Å |
| 1069 | L | 89.4 | Confident | 88.5 | Confident | 12 Ų | 12 | 21.9 Ų | 21.9 | 6% | 0.063 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.1 | -52 | -179.6 | 175.9 | 61.4 | 0 | 0 | 0 | 111.4 | D1067 T1071 A1072 I1073 F1144 M1170 | D1067-L1069 PolarHBondContact O-N 2.98Å; D1067-L1069 WeakPolarHBondContact OD1-CB 3.35Å; D1067-L1069 PolarHBondContact OD1-N 3.13Å; L1069-T1071 PolarHBondContact O-N 2.9Å; L1069-A1072 WeakPolarHBondContact O-CB 3.46Å; L1069-A1072 PolarHBondContact O-N 3.33Å; L1069-A1072 VanDerWaalsContact O-N 3.13Å; L1069-I1073 HydrophobicContact CD1-CD1 4.2Å; L1069-I1073 HydrophobicContact CG-CD1 4.14Å; L1069-I1073 WeakPolarHBondContact O-CG1 3.35Å; L1069-I1073 PolarHBondContact O-N 3.37Å; L1069-F1144 HydrophobicContact CD1-CD1 3.59Å; L1069-F1144 HydrophobicContact CD1-CE1 3.43Å; L1069-F1144 VanDerWaalsContact CD1-CE1 3.43Å; L1069-F1144 HydrophobicContact CD1-CG 4.26Å; L1069-F1144 HydrophobicContact CD1-CZ 3.94Å; L1069-F1144 HydrophobicContact CD2-CB 3.9Å; L1069-F1144 HydrophobicContact CD2-CD1 3.77Å; L1069-F1144 HydrophobicContact CD2-CD2 4.01Å; L1069-F1144 HydrophobicContact CD2-CE1 4.3Å; L1069-F1144 HydrophobicContact CD2-CE2 4.48Å; L1069-F1144 HydrophobicContact CD2-CG 3.61Å; L1069-F1144 HydrophobicContact CG-CD1 4.35Å; L1069-F1144 HydrophobicContact CG-CE1 4.5Å; L1069-M1170 HydrophobicContact CD1-CB 4.07Å; L1069-M1170 HydrophobicContact CD1-CG 4Å |
| 1070 | V | 90.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.5 | -41.1 | 176.3 | 178.5 | 0 | 0 | 0 | 0 | 110.3 | A1003 F1056 N1058 D1067 A1072 I1073 A1074 I1140 | A1003-V1070 HydrophobicContact CB-CG1 3.68Å; F1056-V1070 HydrophobicContact CB-CG1 4.21Å; N1058-V1070 HydrophobicContact CB-CG2 4.12Å; D1067-V1070 HydrophobicContact CB-CB 4.21Å; D1067-V1070 HydrophobicContact CB-CG2 3.98Å; D1067-V1070 PolarHBondContact O-N 2.85Å; V1070-A1072 VanDerWaalsContact C-N 3.33Å; V1070-A1072 PolarHBondContact O-N 3.46Å; V1070-I1073 PolarHBondContact O-N 2.67Å; V1070-A1074 WeakPolarHBondContact O-CB 3.33Å; V1070-A1074 PolarHBondContact O-N 3.42Å; V1070-I1140 HydrophobicContact CG2-CD1 3.26Å |
| 1071 | T | 93.1 | Very high | 89 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.3 | -37.5 | 177.2 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | A1055 F1056 D1067 L1069 L1075 I1100 Y1103 L1104 | A1055-T1071 HydrophobicContact CB-CG2 4.43Å; F1056-T1071 HydrophobicContact CD2-CG2 4.35Å; F1056-T1071 PolarHBondContact N-OG1 2.91Å; F1056-T1071 VanDerWaalsContact N-OG1 3.09Å; F1056-T1071 PolarHBondContact O-OG1 3.02Å; D1067-T1071 VanDerWaalsContact O-CB 3.31Å; D1067-T1071 WeakPolarHBondContact O-CB 3.31Å; D1067-T1071 PolarHBondContact O-N 2.7Å; D1067-T1071 PolarHBondContact O-OG1 3.38Å; L1069-T1071 PolarHBondContact O-N 2.9Å; T1071-L1075 VanDerWaalsContact O-CB 3.31Å; T1071-L1075 WeakPolarHBondContact O-CB 3.26Å; T1071-L1075 PolarHBondContact O-N 3.41Å; T1071-I1100 HydrophobicContact CG2-CG2 3.65Å; T1071-Y1103 HydrophobicContact CG2-CD1 4.04Å; T1071-Y1103 HydrophobicContact CG2-CE1 4.34Å; T1071-L1104 HydrophobicContact CG2-CD2 4.31Å; T1071-L1104 HydrophobicContact CG2-CG 4.43Å |
| 1072 | A | 92 | Very high | 89.3 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.9 | -42.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1068 L1069 V1070 L1075 W1076 M1170 V1171 A1174 | P1068-A1072 WeakPolarHBondContact O-CB 3.33Å; P1068-A1072 PolarHBondContact O-N 3.47Å; L1069-A1072 WeakPolarHBondContact O-CB 3.46Å; L1069-A1072 PolarHBondContact O-N 3.33Å; L1069-A1072 VanDerWaalsContact O-N 3.13Å; V1070-A1072 VanDerWaalsContact C-N 3.33Å; V1070-A1072 PolarHBondContact O-N 3.46Å; A1072-L1075 PolarHBondContact O-N 3.47Å; A1072-W1076 PolarHBondContact O-N 2.94Å; A1072-M1170 HydrophobicContact CB-CG 4.34Å; A1072-V1171 HydrophobicContact CB-CB 4.46Å; A1072-V1171 HydrophobicContact CB-CG2 3.82Å; A1072-A1174 HydrophobicContact CB-CB 4.33Å; A1072-A1174 WeakPolarHBondContact O-CB 3.42Å |
| 1073 | I | 91.2 | Very high | 89.5 | Confident | 8 Ų | 8 | 19 Ų | 19 | 4% | 0.041 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63 | -44.1 | 175.8 | -63.7 | 165.4 | 0 | 0 | 0 | 110.4 | E1004 L1069 V1070 W1076 S1077 M1170 F1330 | E1004-I1073 HydrophobicContact CG-CD1 4.11Å; E1004-I1073 HydrophobicContact CG-CG2 4.25Å; L1069-I1073 HydrophobicContact CD1-CD1 4.2Å; L1069-I1073 HydrophobicContact CG-CD1 4.14Å; L1069-I1073 WeakPolarHBondContact O-CG1 3.35Å; L1069-I1073 PolarHBondContact O-N 3.37Å; V1070-I1073 PolarHBondContact O-N 2.67Å; I1073-W1076 WeakPolarHBondContact O-CB 3.33Å; I1073-W1076 PolarHBondContact O-N 2.95Å; I1073-S1077 PolarHBondContact O-N 3.32Å; I1073-S1077 VanDerWaalsContact O-N 3.12Å; I1073-M1170 HydrophobicContact CB-CE 4.42Å; I1073-M1170 HydrophobicContact CG1-CE 3.85Å; I1073-M1170 HydrophobicContact CG1-CG 4.21Å; I1073-F1330 HydrophobicContact CD1-CE2 4.2Å; I1073-F1330 HydrophobicContact CG1-CE2 4.24Å |
| 1074 | A | 93 | Very high | 89.5 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.2 | -47.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1007 F1056 V1070 W1076 S1077 L1078 | F1007-A1074 HydrophobicContact CD1-CB 4.15Å; F1007-A1074 HydrophobicContact CD2-CB 3.47Å; F1007-A1074 VanDerWaalsContact CD2-CB 3.47Å; F1007-A1074 HydrophobicContact CE1-CB 3.98Å; F1007-A1074 HydrophobicContact CE2-CB 3.28Å; F1007-A1074 HydrophobicContact CG-CB 3.93Å; F1007-A1074 HydrophobicContact CZ-CB 3.56Å; F1056-A1074 HydrophobicContact CD2-CB 3.38Å; F1056-A1074 HydrophobicContact CE2-CB 3.58Å; F1056-A1074 HydrophobicContact CG-CB 3.94Å; F1056-A1074 HydrophobicContact CZ-CB 4.29Å; V1070-A1074 WeakPolarHBondContact O-CB 3.33Å; V1070-A1074 PolarHBondContact O-N 3.42Å; A1074-W1076 VanDerWaalsContact C-N 3.27Å; A1074-W1076 PolarHBondContact O-N 2.94Å; A1074-S1077 PolarHBondContact O-N 2.81Å; A1074-L1078 WeakPolarHBondContact O-CB 3.11Å; A1074-L1078 WeakPolarHBondContact O-CG 3.41Å; A1074-L1078 PolarHBondContact O-N 2.97Å |
| 1075 | L | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58 | -40.9 | 176.8 | -179.7 | 61.6 | 0 | 0 | 0 | 111.8 | T1071 A1072 L1078 L1079 F1097 I1100 L1104 L1175 | T1071-L1075 VanDerWaalsContact O-CB 3.31Å; T1071-L1075 WeakPolarHBondContact O-CB 3.26Å; T1071-L1075 PolarHBondContact O-N 3.41Å; A1072-L1075 PolarHBondContact O-N 3.47Å; L1075-L1078 PolarHBondContact O-N 3.49Å; L1075-L1079 HydrophobicContact CD1-CD1 4.12Å; L1075-L1079 HydrophobicContact CD1-CG 4.13Å; L1075-L1079 HydrophobicContact CG-CD1 4.06Å; L1075-L1079 HydrophobicContact CG-CG 4.48Å; L1075-L1079 WeakPolarHBondContact O-CB 3.27Å; L1075-L1079 WeakPolarHBondContact O-CG 3.31Å; L1075-L1079 PolarHBondContact O-N 3.31Å; L1075-F1097 HydrophobicContact CD1-CD1 3.73Å; L1075-F1097 HydrophobicContact CD1-CE1 4.16Å; L1075-I1100 HydrophobicContact CB-CG2 4.2Å; L1075-I1100 HydrophobicContact CD1-CG2 4.14Å; L1075-I1100 HydrophobicContact CD2-CG2 4.14Å; L1075-I1100 HydrophobicContact CG-CG2 4.4Å; L1075-L1104 HydrophobicContact CD2-CD1 3.93Å; L1075-L1175 HydrophobicContact CD2-CD2 3.65Å; L1075-L1175 HydrophobicContact CD2-CG 4.18Å |
| 1076 | W | 93 | Very high | 89.8 | Confident | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.008 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.7 | -49.4 | 177.2 | -174.6 | 40.6 | 0 | 0 | 0 | 111.8 | A1072 I1073 A1074 L1079 M1170 A1174 S1177 T1178 L1333 F1334 | A1072-W1076 PolarHBondContact O-N 2.94Å; I1073-W1076 WeakPolarHBondContact O-CB 3.33Å; I1073-W1076 PolarHBondContact O-N 2.95Å; A1074-W1076 VanDerWaalsContact C-N 3.27Å; A1074-W1076 PolarHBondContact O-N 2.94Å; W1076-L1079 PolarHBondContact O-N 2.82Å; W1076-M1170 HydrophobicContact CB-CE 4.08Å; W1076-M1170 HydrophobicContact CD2-CE 3.96Å; W1076-M1170 HydrophobicContact CE3-CE 3.55Å; W1076-M1170 HydrophobicContact CG-CE 4.2Å; W1076-M1170 HydrophobicContact CZ3-CE 4.23Å; W1076-A1174 HydrophobicContact CB-CB 3.89Å; W1076-S1177 PolarHBondContact NE1-OG 2.76Å; W1076-T1178 VanDerWaalsContact CD1-CG2 3.41Å; W1076-L1333 HydrophobicContact CE3-CD2 3.91Å; W1076-L1333 HydrophobicContact CH2-CD2 4.16Å; W1076-L1333 HydrophobicContact CH2-CG 4.02Å; W1076-L1333 HydrophobicContact CZ3-CD2 3.42Å; W1076-L1333 VanDerWaalsContact CZ3-CD2 3.42Å; W1076-L1333 HydrophobicContact CZ3-CG 3.78Å; W1076-F1334 HydrophobicContact CE3-CE2 4.47Å; W1076-F1334 HydrophobicContact CH2-CD1 4.42Å; W1076-F1334 AromaticContact CH2-CD2 3.78Å; W1076-F1334 HydrophobicContact CH2-CD2 3.78Å; W1076-F1334 HydrophobicContact CH2-CE1 4.2Å; W1076-F1334 AromaticContact CH2-CE2 3.46Å; W1076-F1334 HydrophobicContact CH2-CE2 3.46Å; W1076-F1334 VanDerWaalsContact CH2-CE2 3.46Å; W1076-F1334 HydrophobicContact CH2-CG 4.24Å; W1076-F1334 AromaticContact CH2-CZ 3.72Å; W1076-F1334 HydrophobicContact CH2-CZ 3.72Å; W1076-F1334 HydrophobicContact CZ2-CE2 4.5Å; W1076-F1334 HydrophobicContact CZ2-CZ 4.36Å; W1076-F1334 AromaticContact CZ3-CD2 3.95Å; W1076-F1334 HydrophobicContact CZ3-CD2 3.95Å; W1076-F1334 AromaticContact CZ3-CE2 3.43Å; W1076-F1334 HydrophobicContact CZ3-CE2 3.43Å; W1076-F1334 VanDerWaalsContact CZ3-CE2 3.43Å; W1076-F1334 AromaticContact CZ3-CZ 3.98Å; W1076-F1334 HydrophobicContact CZ3-CZ 3.98Å |
| 1077 | S | 93.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.3 | -39 | 177.3 | -68.2 | 0 | 0 | 0 | 0 | 112.8 | F1007 I1073 A1074 L1080 | F1007-S1077 PolarHBondContact O-OG 2.98Å; I1073-S1077 PolarHBondContact O-N 3.32Å; I1073-S1077 VanDerWaalsContact O-N 3.12Å; A1074-S1077 PolarHBondContact O-N 2.81Å; S1077-L1080 WeakPolarHBondContact O-CB 3.45Å; S1077-L1080 PolarHBondContact O-N 3.17Å |
| 1078 | L | 92.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.5 | -37.3 | 177.6 | -71.1 | 171 | 0 | 0 | 0 | 112.2 | F1007 L1010 F1056 A1074 L1075 L1080 T1081 V1092 F1097 I1100 | F1007-L1078 HydrophobicContact CE1-CD1 4.42Å; F1007-L1078 HydrophobicContact CE1-CD2 4.1Å; F1007-L1078 HydrophobicContact CE1-CG 4.03Å; L1010-L1078 HydrophobicContact CD2-CD2 4.37Å; F1056-L1078 HydrophobicContact CE2-CD1 3.93Å; F1056-L1078 HydrophobicContact CZ-CD1 3.91Å; A1074-L1078 WeakPolarHBondContact O-CB 3.11Å; A1074-L1078 WeakPolarHBondContact O-CG 3.41Å; A1074-L1078 PolarHBondContact O-N 2.97Å; L1075-L1078 PolarHBondContact O-N 3.49Å; L1078-L1080 PolarHBondContact O-N 3.41Å; L1078-T1081 PolarHBondContact O-N 2.9Å; L1078-T1081 VanDerWaalsContact O-N 3.11Å; L1078-T1081 PolarHBondContact O-OG1 3.19Å; L1078-V1092 HydrophobicContact CD2-CG2 3.96Å; L1078-F1097 HydrophobicContact CB-CE1 3.79Å; L1078-F1097 HydrophobicContact CB-CZ 4.17Å; L1078-I1100 HydrophobicContact CD1-CD1 4.02Å |
| 1079 | L | 91.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.2 | -28.3 | 176.9 | -76 | 169.5 | 0 | 0 | 0 | 112.1 | L1075 W1076 T1081 R1082 F1097 A1174 T1178 R1180 L1182 | L1075-L1079 HydrophobicContact CD1-CD1 4.12Å; L1075-L1079 HydrophobicContact CD1-CG 4.13Å; L1075-L1079 HydrophobicContact CG-CD1 4.06Å; L1075-L1079 HydrophobicContact CG-CG 4.48Å; L1075-L1079 WeakPolarHBondContact O-CB 3.27Å; L1075-L1079 WeakPolarHBondContact O-CG 3.31Å; L1075-L1079 PolarHBondContact O-N 3.31Å; W1076-L1079 PolarHBondContact O-N 2.82Å; L1079-T1081 PolarHBondContact O-N 3.35Å; L1079-R1082 WeakPolarHBondContact O-CB 3.4Å; L1079-R1082 PolarHBondContact O-N 2.81Å; L1079-F1097 HydrophobicContact CD2-CD1 4.21Å; L1079-F1097 HydrophobicContact CD2-CE1 3.86Å; L1079-F1097 HydrophobicContact CD2-CZ 4.48Å; L1079-F1097 HydrophobicContact CG-CE1 4.13Å; L1079-A1174 WeakPolarHBondContact CD1-O 3.45Å; L1079-T1178 HydrophobicContact CB-CG2 4.03Å; L1079-R1180 WeakPolarHBondContact O-CG 3.4Å; L1079-L1182 HydrophobicContact CD1-CD2 4.22Å; L1079-L1182 HydrophobicContact CD2-CD2 4.22Å |
| 1080 | L | 90.6 | Very high | 89 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.8 | -27.8 | 174.4 | -65.4 | 170.2 | 0 | 0 | 0 | 112.5 | M1014 L1018 S1077 L1078 R1082 T1178 | M1014-L1080 HydrophobicContact CB-CB 4.21Å; M1014-L1080 WeakPolarHBondContact CE-O 3.14Å; L1018-L1080 HydrophobicContact CD1-CD2 4.16Å; S1077-L1080 WeakPolarHBondContact O-CB 3.45Å; S1077-L1080 PolarHBondContact O-N 3.17Å; L1078-L1080 PolarHBondContact O-N 3.41Å; L1080-R1082 PolarHBondContact O-N 2.89Å; L1080-T1178 HydrophobicContact CD2-CG2 4.02Å; L1080-T1178 HydrophobicContact CG-CG2 4.22Å |
| 1081 | T | 89.4 | Confident | 88.8 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -12.2 | 178.8 | 75.2 | 0 | 0 | 0 | 0 | 113.2 | L1010 M1014 L1078 L1079 Q1083 I1090 | L1010-T1081 HydrophobicContact CD1-CG2 4.07Å; L1010-T1081 HydrophobicContact CD2-CG2 4.05Å; L1010-T1081 HydrophobicContact CG-CG2 4.26Å; M1014-T1081 HydrophobicContact CE-CG2 4.34Å; M1014-T1081 HydrophobicContact CG-CG2 4.28Å; M1014-T1081 HydrophobicContact SD-CG2 4.36Å; L1078-T1081 PolarHBondContact O-N 2.9Å; L1078-T1081 VanDerWaalsContact O-N 3.11Å; L1078-T1081 PolarHBondContact O-OG1 3.19Å; L1079-T1081 PolarHBondContact O-N 3.35Å; T1081-Q1083 PolarHBondContact O-N 3.05Å; T1081-I1090 HydrophobicContact CG2-CD1 3.72Å |
| 1082 | R | 87.4 | Confident | 88.5 | Confident | 54 Ų | 54 | 33.5 Ų | 33.5 | 20% | 0.204 | 16% | 0.156 | C | C | . | . | trans | -77.7 | 63.9 | -179.5 | -160.8 | -177.9 | 177.8 | 91.3 | -0.1 | 111.7 | L1079 L1080 D1094 T1181 | L1079-R1082 WeakPolarHBondContact O-CB 3.4Å; L1079-R1082 PolarHBondContact O-N 2.81Å; L1080-R1082 PolarHBondContact O-N 2.89Å; R1082-D1094 IonicContact CZ-OD1 3.45Å; R1082-D1094 IonicContact NH1-OD1 3.56Å; R1082-D1094 PolarHBondContact NH1-OD1 2.85Å; R1082-D1094 IonicContact NH2-OD1 3.86Å; R1082-D1094 PolarHBondContact NH2-OD1 2.89Å; R1082-D1094 IonicContact NH2-OD2 2.69Å; R1082-T1181 WeakPolarHBondContact CD-O 3.42Å; R1082-T1181 PolarHBondContact NE-O 2.97Å; R1082-T1181 PolarHBondContact NE-OG1 3.1Å | ||
| 1083 | Q | 85 | Confident | 88.2 | Confident | 21 Ų | 21 | 35.1 Ų | 35.1 | 10% | 0.098 | 16% | 0.164 | C | C | . | . | trans | -108.6 | 114.5 | 170.2 | 178.7 | 67.2 | -7.1 | 0 | 0 | 109 | T1081 Q1085 W1086 N1087 | T1081-Q1083 PolarHBondContact O-N 3.05Å; Q1083-Q1085 HydrophobicContact CG-CB 4.38Å; Q1083-Q1085 PolarHBondContact O-N 3.08Å; Q1083-W1086 HydrophobicContact CB-CB 4.44Å; Q1083-W1086 HydrophobicContact CB-CD2 3.98Å; Q1083-W1086 HydrophobicContact CB-CE3 3.84Å; Q1083-W1086 HydrophobicContact CB-CG 4.26Å; Q1083-W1086 HydrophobicContact CB-CZ3 4.44Å; Q1083-W1086 HydrophobicContact CG-CD2 3.75Å; Q1083-W1086 HydrophobicContact CG-CE3 4.05Å; Q1083-W1086 HydrophobicContact CG-CG 3.99Å; Q1083-W1086 PolarHBondContact O-N 3.38Å; Q1083-N1087 PolarHBondContact O-OD1 2.93Å | ||
| 1084 | T | 83.7 | Confident | 88 | Confident | 113 Ų | 113 | 37.4 Ų | 37.4 | 69% | 0.693 | 18% | 0.176 | S | C | * | . | G | 310 helix | trans | -56.1 | -32.4 | -172.6 | 53.5 | 0 | 0 | 0 | 0 | 113.8 | W1086 | T1084-W1086 VanDerWaalsContact C-N 3.27Å; T1084-W1086 PolarHBondContact O-N 2.84Å |
| 1085 | Q | 85.5 | Confident | 87.7 | Confident | 130 Ų | 130 | 42.6 Ų | 42.6 | 61% | 0.607 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -68.8 | -21.5 | 178 | -63.6 | 177.1 | -5.2 | 0 | 0 | 113.6 | H1021 Q1083 | H1021-Q1085 PolarHBondContact CE1-OE1 3.06Å; Q1083-Q1085 HydrophobicContact CG-CB 4.38Å; Q1083-Q1085 PolarHBondContact O-N 3.08Å |
| 1086 | W | 88.7 | Confident | 87.4 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 3% | 0.034 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -105.2 | -0.9 | -172.8 | -58.7 | -14.8 | 0 | 0 | 0 | 113.6 | M1014 L1017 L1018 H1021 L1026 L1031 L1035 Q1083 T1084 R1088 L1089 I1090 | M1014-W1086 HydrophobicContact CE-CE3 3.92Å; M1014-W1086 HydrophobicContact CE-CZ3 3.57Å; M1014-W1086 HydrophobicContact SD-CZ3 4.34Å; L1017-W1086 HydrophobicContact CB-CH2 3.82Å; L1017-W1086 HydrophobicContact CB-CZ3 4.18Å; L1018-W1086 HydrophobicContact CD2-CH2 3.88Å; L1018-W1086 HydrophobicContact CD2-CZ3 4.12Å; L1018-W1086 HydrophobicContact CG-CH2 4.35Å; L1018-W1086 HydrophobicContact CG-CZ3 4.49Å; H1021-W1086 HydrophobicContact CB-CZ2 4.2Å; L1026-W1086 HydrophobicContact CD2-CZ2 4.46Å; L1031-W1086 HydrophobicContact CD1-CD2 4.33Å; L1031-W1086 HydrophobicContact CD1-CZ2 4.03Å; L1035-W1086 HydrophobicContact CD1-CB 3.83Å; L1035-W1086 HydrophobicContact CD1-CD2 4.05Å; L1035-W1086 HydrophobicContact CD1-CE3 4.49Å; L1035-W1086 HydrophobicContact CD1-CG 3.74Å; L1035-W1086 HydrophobicContact CD2-CD2 4.25Å; L1035-W1086 HydrophobicContact CD2-CE3 3.86Å; L1035-W1086 HydrophobicContact CD2-CZ3 4.42Å; Q1083-W1086 HydrophobicContact CB-CB 4.44Å; Q1083-W1086 HydrophobicContact CB-CD2 3.98Å; Q1083-W1086 HydrophobicContact CB-CE3 3.84Å; Q1083-W1086 HydrophobicContact CB-CG 4.26Å; Q1083-W1086 HydrophobicContact CB-CZ3 4.44Å; Q1083-W1086 HydrophobicContact CG-CD2 3.75Å; Q1083-W1086 HydrophobicContact CG-CE3 4.05Å; Q1083-W1086 HydrophobicContact CG-CG 3.99Å; Q1083-W1086 PolarHBondContact O-N 3.38Å; T1084-W1086 VanDerWaalsContact C-N 3.27Å; T1084-W1086 PolarHBondContact O-N 2.84Å; W1086-R1088 PolarHBondContact O-N 2.94Å; W1086-L1089 PolarHBondContact O-N 2.95Å; W1086-I1090 HydrophobicContact CB-CG2 4.17Å; W1086-I1090 PolarHBondContact O-N 3.15Å |
| 1087 | N | 83.9 | Confident | 87.2 | Confident | 63 Ų | 63 | 43.1 Ų | 43.1 | 34% | 0.337 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -21.5 | -178.6 | -74.5 | -1.2 | 0 | 0 | 0 | 114.5 | Q1083 I1090 | Q1083-N1087 PolarHBondContact O-OD1 2.93Å; N1087-I1090 WeakPolarHBondContact CA-O 3.27Å |
| 1088 | R | 79.7 | Confident | 87 | Confident | 194 Ų | 194 | 44.8 Ų | 44.8 | 73% | 0.732 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -28.3 | 175.7 | -177.2 | 177.8 | 175.1 | -173.8 | -1.4 | 113 | W1086 | W1086-R1088 PolarHBondContact O-N 2.94Š|
| 1089 | L | 84.3 | Confident | 86.9 | Confident | 40 Ų | 40 | 47 Ų | 47 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -37.8 | -174.5 | -66.4 | 173.4 | 0 | 0 | 0 | 112.2 | L1035 W1086 | L1035-L1089 HydrophobicContact CB-CB 4.01Å; L1035-L1089 HydrophobicContact CB-CD1 4.13Å; L1035-L1089 HydrophobicContact CD1-CB 4.08Å; L1035-L1089 HydrophobicContact CD1-CD1 3.72Å; W1086-L1089 PolarHBondContact O-N 2.95Å |
| 1090 | I | 88.3 | Confident | 86.9 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | trans | -130.3 | 127.2 | 176.8 | -168 | 167.1 | 0 | 0 | 0 | 109.8 | L1010 L1035 C1038 L1042 T1081 W1086 N1087 | L1010-I1090 HydrophobicContact CD1-CD1 4.3Å; L1035-I1090 HydrophobicContact CD2-CG2 4.01Å; C1038-I1090 HydrophobicContact CB-CD1 3.83Å; L1042-I1090 HydrophobicContact CD1-CD1 4.03Å; L1042-I1090 HydrophobicContact CD1-CG1 3.86Å; T1081-I1090 HydrophobicContact CG2-CD1 3.72Å; W1086-I1090 HydrophobicContact CB-CG2 4.17Å; W1086-I1090 PolarHBondContact O-N 3.15Å; N1087-I1090 WeakPolarHBondContact CA-O 3.27Å | ||
| 1091 | Y | 85.5 | Confident | 87 | Confident | 52 Ų | 52 | 46.9 Ų | 46.9 | 20% | 0.204 | 23% | 0.233 | C | C | . | . | trans | -141.9 | 139.1 | -178.6 | 179 | -97.7 | 0 | 0 | 0 | 109.9 | L177 D1093 | L177-Y1091 HydrophobicContact CD2-CD1 4.13Å; L177-Y1091 HydrophobicContact CD2-CE1 3.66Å; L177-Y1091 HydrophobicContact CG-CE1 4.48Å; Y1091-D1093 HydrophobicContact CE1-CB 4.19Å; Y1091-D1093 PolarHBondContact OH-OD1 3.14Å | ||
| 1092 | V | 86.7 | Confident | 87.1 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | trans | -125.6 | 129.2 | 172.6 | 178.2 | 0 | 0 | 0 | 0 | 106.7 | L1042 F1046 L1078 T1096 F1097 | L1042-V1092 HydrophobicContact CD1-CG2 3.47Å; L1042-V1092 VanDerWaalsContact CD1-CG2 3.47Å; F1046-V1092 HydrophobicContact CZ-CG1 4.23Å; L1078-V1092 HydrophobicContact CD2-CG2 3.96Å; V1092-T1096 HydrophobicContact CG1-CG2 4.49Å; V1092-F1097 HydrophobicContact CB-CE2 3.68Å; V1092-F1097 HydrophobicContact CB-CZ 3.93Å; V1092-F1097 HydrophobicContact CG1-CD2 4.01Å; V1092-F1097 HydrophobicContact CG1-CE1 4.45Å; V1092-F1097 HydrophobicContact CG1-CE2 3.41Å; V1092-F1097 VanDerWaalsContact CG1-CE2 3.41Å; V1092-F1097 HydrophobicContact CG1-CZ 3.67Å | ||
| 1093 | D | 85 | Confident | 87.3 | Confident | 34 Ų | 34 | 46.8 Ų | 46.8 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | trans | -67.2 | 141.9 | -178.4 | -169.3 | 42.5 | 0 | 0 | 0 | 112.7 | Y1091 N1095 T1096 F1097 | Y1091-D1093 HydrophobicContact CE1-CB 4.19Å; Y1091-D1093 PolarHBondContact OH-OD1 3.14Å; D1093-N1095 VanDerWaalsContact C-N 3.25Å; D1093-N1095 PolarHBondContact O-N 2.88Å; D1093-N1095 VanDerWaalsContact OD2-CB 3.24Å; D1093-N1095 WeakPolarHBondContact OD2-CB 3.26Å; D1093-N1095 PolarHBondContact OD2-N 2.77Å; D1093-N1095 PolarHBondContact OD2-ND2 3.31Å; D1093-T1096 VanDerWaalsContact O-CB 3.31Å; D1093-T1096 WeakPolarHBondContact O-CB 3.25Å; D1093-T1096 PolarHBondContact O-N 3.37Å; D1093-T1096 VanDerWaalsContact O-N 3.12Å; D1093-F1097 WeakPolarHBondContact O-CD2 3.04Å; D1093-F1097 PolarHBondContact O-N 3.01Å | ||
| 1094 | D | 87 | Confident | 87.6 | Confident | 56 Ų | 56 | 45.8 Ų | 45.8 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.5 | -32.1 | -179.8 | -83.1 | -16.2 | 0 | 0 | 0 | 111.6 | R1082 T1096 F1097 V1098 P1183 | R1082-D1094 IonicContact CZ-OD1 3.45Å; R1082-D1094 IonicContact NH1-OD1 3.56Å; R1082-D1094 PolarHBondContact NH1-OD1 2.85Å; R1082-D1094 IonicContact NH2-OD1 3.86Å; R1082-D1094 PolarHBondContact NH2-OD1 2.89Å; R1082-D1094 IonicContact NH2-OD2 2.69Å; D1094-T1096 VanDerWaalsContact C-N 3.26Å; D1094-T1096 PolarHBondContact O-N 3.22Å; D1094-F1097 PolarHBondContact O-N 3.08Å; D1094-V1098 WeakPolarHBondContact O-CG2 3.45Å; D1094-V1098 PolarHBondContact O-N 2.75Å; D1094-P1183 HydrophobicContact CB-CB 4.44Å |
| 1095 | N | 86.6 | Confident | 87.9 | Confident | 109 Ų | 109 | 43.2 Ų | 43.2 | 58% | 0.583 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -63.7 | -33.6 | 176 | -59.8 | -54.2 | 0 | 0 | 0 | 111.9 | D1093 V1098 S1099 | D1093-N1095 VanDerWaalsContact C-N 3.25Å; D1093-N1095 PolarHBondContact O-N 2.88Å; D1093-N1095 VanDerWaalsContact OD2-CB 3.24Å; D1093-N1095 WeakPolarHBondContact OD2-CB 3.26Å; D1093-N1095 PolarHBondContact OD2-N 2.77Å; D1093-N1095 PolarHBondContact OD2-ND2 3.31Å; N1095-V1098 PolarHBondContact O-N 3.31Å; N1095-S1099 WeakPolarHBondContact O-CB 3.35Å; N1095-S1099 PolarHBondContact O-N 2.99Å; N1095-S1099 PolarHBondContact O-OG 2.9Å; N1095-S1099 VanDerWaalsContact O-OG 3.06Å |
| 1096 | T | 87.3 | Confident | 88.1 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 176 | -56.2 | 0 | 0 | 0 | 0 | 111 | F1046 F1049 V1092 D1093 D1094 V1098 S1099 I1100 | F1046-T1096 HydrophobicContact CE1-CG2 3.61Å; F1046-T1096 HydrophobicContact CZ-CG2 3.95Å; F1049-T1096 HydrophobicContact CE2-CG2 4.43Å; F1049-T1096 HydrophobicContact CZ-CG2 4.17Å; V1092-T1096 HydrophobicContact CG1-CG2 4.49Å; D1093-T1096 VanDerWaalsContact O-CB 3.31Å; D1093-T1096 WeakPolarHBondContact O-CB 3.25Å; D1093-T1096 PolarHBondContact O-N 3.37Å; D1093-T1096 VanDerWaalsContact O-N 3.12Å; D1094-T1096 VanDerWaalsContact C-N 3.26Å; D1094-T1096 PolarHBondContact O-N 3.22Å; T1096-V1098 VanDerWaalsContact C-N 3.32Å; T1096-V1098 PolarHBondContact O-N 2.84Å; T1096-S1099 PolarHBondContact O-N 3.42Å; T1096-I1100 HydrophobicContact CG2-CD1 4.06Å; T1096-I1100 VanDerWaalsContact O-CG1 3.31Å; T1096-I1100 WeakPolarHBondContact O-CG1 3.17Å; T1096-I1100 PolarHBondContact O-N 3.37Å |
| 1097 | F | 89.3 | Confident | 88.1 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 174.7 | -70.6 | -71.8 | 0 | 0 | 0 | 111.6 | L1075 L1078 L1079 V1092 D1093 D1094 S1099 I1100 I1101 P1183 | L1075-F1097 HydrophobicContact CD1-CD1 3.73Å; L1075-F1097 HydrophobicContact CD1-CE1 4.16Å; L1078-F1097 HydrophobicContact CB-CE1 3.79Å; L1078-F1097 HydrophobicContact CB-CZ 4.17Å; L1079-F1097 HydrophobicContact CD2-CD1 4.21Å; L1079-F1097 HydrophobicContact CD2-CE1 3.86Å; L1079-F1097 HydrophobicContact CD2-CZ 4.48Å; L1079-F1097 HydrophobicContact CG-CE1 4.13Å; V1092-F1097 HydrophobicContact CB-CE2 3.68Å; V1092-F1097 HydrophobicContact CB-CZ 3.93Å; V1092-F1097 HydrophobicContact CG1-CD2 4.01Å; V1092-F1097 HydrophobicContact CG1-CE1 4.45Å; V1092-F1097 HydrophobicContact CG1-CE2 3.41Å; V1092-F1097 VanDerWaalsContact CG1-CE2 3.41Å; V1092-F1097 HydrophobicContact CG1-CZ 3.67Å; D1093-F1097 WeakPolarHBondContact O-CD2 3.04Å; D1093-F1097 PolarHBondContact O-N 3.01Å; D1094-F1097 PolarHBondContact O-N 3.08Å; F1097-S1099 PolarHBondContact O-N 3.32Å; F1097-I1100 PolarHBondContact O-N 2.58Å; F1097-I1101 WeakPolarHBondContact O-CB 3.31Å; F1097-I1101 WeakPolarHBondContact O-CD1 3.23Å; F1097-I1101 WeakPolarHBondContact O-CG1 3.41Å; F1097-I1101 PolarHBondContact O-N 3.1Å; F1097-P1183 HydrophobicContact CB-CB 4.49Å; F1097-P1183 HydrophobicContact CB-CG 3.81Å |
| 1098 | V | 89.8 | Confident | 88.4 | Confident | 35 Ų | 35 | 43.2 Ų | 43.2 | 21% | 0.212 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 177.3 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | D1094 N1095 T1096 I1101 N1102 P1183 | D1094-V1098 WeakPolarHBondContact O-CG2 3.45Å; D1094-V1098 PolarHBondContact O-N 2.75Å; N1095-V1098 PolarHBondContact O-N 3.31Å; T1096-V1098 VanDerWaalsContact C-N 3.32Å; T1096-V1098 PolarHBondContact O-N 2.84Å; V1098-I1101 PolarHBondContact O-N 3.06Å; V1098-N1102 WeakPolarHBondContact O-CB 3.48Å; V1098-N1102 PolarHBondContact O-N 3.43Å; V1098-N1102 PolarHBondContact O-ND2 2.79Å; V1098-N1102 VanDerWaalsContact O-ND2 3.16Å; V1098-P1183 HydrophobicContact CG2-CB 4.45Å; V1098-P1183 HydrophobicContact CG2-CG 4.37Å |
| 1099 | S | 89.4 | Confident | 88.7 | Confident | 46 Ų | 46 | 35.9 Ų | 35.9 | 32% | 0.322 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 176.5 | -66.8 | 0 | 0 | 0 | 0 | 112.1 | G1054 N1095 T1096 F1097 I1101 N1102 Y1103 | G1054-S1099 CarbonylContact O-C 3.59Å; N1095-S1099 WeakPolarHBondContact O-CB 3.35Å; N1095-S1099 PolarHBondContact O-N 2.99Å; N1095-S1099 PolarHBondContact O-OG 2.9Å; N1095-S1099 VanDerWaalsContact O-OG 3.06Å; T1096-S1099 PolarHBondContact O-N 3.42Å; F1097-S1099 PolarHBondContact O-N 3.32Å; S1099-I1101 PolarHBondContact O-N 2.83Å; S1099-N1102 WeakPolarHBondContact O-CB 3.21Å; S1099-N1102 PolarHBondContact O-N 3.05Å; S1099-Y1103 PolarHBondContact O-N 2.99Å |
| 1100 | I | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.6 | -46.9 | 174.8 | -68.4 | 163.1 | 0 | 0 | 0 | 111.1 | F1049 G1054 F1056 T1071 L1075 L1078 T1096 F1097 N1102 Y1103 L1104 | F1049-I1100 HydrophobicContact CE2-CD1 4.44Å; F1049-I1100 HydrophobicContact CE2-CG1 4.01Å; G1054-I1100 VanDerWaalsContact O-CA 3.3Å; G1054-I1100 WeakPolarHBondContact O-CA 3.5Å; G1054-I1100 PolarHBondContact O-N 2.89Å; F1056-I1100 HydrophobicContact CE2-CD1 3.7Å; F1056-I1100 HydrophobicContact CE2-CG1 4.28Å; F1056-I1100 HydrophobicContact CZ-CD1 4.43Å; T1071-I1100 HydrophobicContact CG2-CG2 3.65Å; L1075-I1100 HydrophobicContact CB-CG2 4.2Å; L1075-I1100 HydrophobicContact CD1-CG2 4.14Å; L1075-I1100 HydrophobicContact CD2-CG2 4.14Å; L1075-I1100 HydrophobicContact CG-CG2 4.4Å; L1078-I1100 HydrophobicContact CD1-CD1 4.02Å; T1096-I1100 HydrophobicContact CG2-CD1 4.06Å; T1096-I1100 VanDerWaalsContact O-CG1 3.31Å; T1096-I1100 WeakPolarHBondContact O-CG1 3.17Å; T1096-I1100 PolarHBondContact O-N 3.37Å; F1097-I1100 PolarHBondContact O-N 2.58Å; I1100-N1102 VanDerWaalsContact C-N 3.31Å; I1100-N1102 PolarHBondContact O-N 2.78Å; I1100-Y1103 PolarHBondContact O-N 2.85Å; I1100-L1104 HydrophobicContact CG2-CD1 4.27Å; I1100-L1104 WeakPolarHBondContact O-CG 3.06Å; I1100-L1104 PolarHBondContact O-N 3.47Å |
| 1101 | I | 92 | Very high | 87.5 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -38.1 | 178.1 | -67.4 | 164.5 | 0 | 0 | 0 | 110.7 | F1097 V1098 S1099 L1104 K1105 L1175 P1183 K1190 A1191 I1194 | F1097-I1101 WeakPolarHBondContact O-CB 3.31Å; F1097-I1101 WeakPolarHBondContact O-CD1 3.23Å; F1097-I1101 WeakPolarHBondContact O-CG1 3.41Å; F1097-I1101 PolarHBondContact O-N 3.1Å; V1098-I1101 PolarHBondContact O-N 3.06Å; S1099-I1101 PolarHBondContact O-N 2.83Å; I1101-L1104 PolarHBondContact O-N 3.11Å; I1101-K1105 WeakPolarHBondContact O-CB 3.42Å; I1101-K1105 PolarHBondContact O-N 3.21Å; I1101-L1175 HydrophobicContact CG1-CD2 4.43Å; I1101-P1183 HydrophobicContact CD1-CG 4.06Å; I1101-K1190 HydrophobicContact CG2-CB 3.91Å; I1101-A1191 HydrophobicContact CD1-CB 4.32Å; I1101-A1191 HydrophobicContact CG2-CB 4.15Å; I1101-I1194 HydrophobicContact CG2-CD1 3.77Å; I1101-I1194 WeakPolarHBondContact O-CD1 3.1Å |
| 1102 | N | 91.8 | Very high | 86.4 | Confident | 40 Ų | 40 | 40.3 Ų | 40.3 | 21% | 0.214 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 175 | -72.3 | -30.4 | 0 | 0 | 0 | 111.7 | V1098 S1099 I1100 K1105 Q1106 K1190 | V1098-N1102 WeakPolarHBondContact O-CB 3.48Å; V1098-N1102 PolarHBondContact O-N 3.43Å; V1098-N1102 PolarHBondContact O-ND2 2.79Å; V1098-N1102 VanDerWaalsContact O-ND2 3.16Å; S1099-N1102 WeakPolarHBondContact O-CB 3.21Å; S1099-N1102 PolarHBondContact O-N 3.05Å; I1100-N1102 VanDerWaalsContact C-N 3.31Å; I1100-N1102 PolarHBondContact O-N 2.78Å; N1102-K1105 WeakPolarHBondContact O-CB 3.39Å; N1102-K1105 PolarHBondContact O-N 2.83Å; N1102-Q1106 WeakPolarHBondContact O-CB 3.23Å; N1102-Q1106 VanDerWaalsContact O-CG 3.31Å; N1102-Q1106 WeakPolarHBondContact O-CG 3.36Å; N1102-Q1106 PolarHBondContact O-N 3.3Å; N1102-K1190 WeakPolarHBondContact OD1-CD 3.28Å; N1102-K1190 WeakPolarHBondContact OD1-CE 3.44Å; N1102-K1190 PolarHBondContact OD1-NZ 3.29Å |
| 1103 | Y | 92.2 | Very high | 84.9 | Confident | 14 Ų | 14 | 48.5 Ų | 48.5 | 6% | 0.055 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 176.5 | 170.3 | -101.2 | 0 | 0 | 0 | 111.8 | I1053 A1055 T1066 P1068 T1071 S1099 I1100 K1105 Q1106 T1107 | I1053-Y1103 HydrophobicContact CG2-CD2 3.47Å; I1053-Y1103 VanDerWaalsContact CG2-CD2 3.47Å; I1053-Y1103 HydrophobicContact CG2-CE2 3.65Å; A1055-Y1103 HydrophobicContact CB-CD1 3.44Å; A1055-Y1103 VanDerWaalsContact CB-CD1 3.44Å; A1055-Y1103 HydrophobicContact CB-CD2 3.68Å; A1055-Y1103 HydrophobicContact CB-CE1 3.5Å; A1055-Y1103 HydrophobicContact CB-CE2 3.74Å; A1055-Y1103 HydrophobicContact CB-CG 3.51Å; T1066-Y1103 PolarHBondContact OG1-OH 3.49Å; P1068-Y1103 HydrophobicContact CB-CE1 4.5Å; P1068-Y1103 HydrophobicContact CG-CE1 4.26Å; T1071-Y1103 HydrophobicContact CG2-CD1 4.04Å; T1071-Y1103 HydrophobicContact CG2-CE1 4.34Å; S1099-Y1103 PolarHBondContact O-N 2.99Å; I1100-Y1103 PolarHBondContact O-N 2.85Å; Y1103-K1105 PolarHBondContact O-N 3.05Å; Y1103-Q1106 PolarHBondContact O-N 2.74Å; Y1103-Q1106 VanDerWaalsContact O-N 3.15Å; Y1103-T1107 HydrophobicContact CD2-CG2 3.93Å; Y1103-T1107 HydrophobicContact CE1-CG2 4.19Å; Y1103-T1107 HydrophobicContact CE2-CG2 3.48Å; Y1103-T1107 VanDerWaalsContact CE2-CG2 3.48Å; Y1103-T1107 HydrophobicContact CG-CG2 4.46Å; Y1103-T1107 WeakPolarHBondContact O-CG2 3.41Å; Y1103-T1107 PolarHBondContact O-N 3.48Å; Y1103-T1107 PolarHBondContact O-OG1 2.84Å |
| 1104 | L | 91.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.4 | -36.6 | 177.1 | -69.8 | 176.2 | 0 | 0 | 0 | 111.6 | P1068 T1071 L1075 I1100 I1101 T1107 Q1108 W1134 V1171 I1194 | P1068-L1104 HydrophobicContact CB-CD2 4.23Å; T1071-L1104 HydrophobicContact CG2-CD2 4.31Å; T1071-L1104 HydrophobicContact CG2-CG 4.43Å; L1075-L1104 HydrophobicContact CD2-CD1 3.93Å; I1100-L1104 HydrophobicContact CG2-CD1 4.27Å; I1100-L1104 WeakPolarHBondContact O-CG 3.06Å; I1100-L1104 PolarHBondContact O-N 3.47Å; I1101-L1104 PolarHBondContact O-N 3.11Å; L1104-T1107 PolarHBondContact O-OG1 2.96Å; L1104-Q1108 WeakPolarHBondContact O-CB 3.43Å; L1104-Q1108 PolarHBondContact O-N 2.92Å; L1104-W1134 PolarHBondContact O-NE1 3.45Å; L1104-V1171 HydrophobicContact CD1-CG1 4.19Å; L1104-V1171 HydrophobicContact CD2-CG2 4.38Å; L1104-I1194 HydrophobicContact CB-CD1 4.37Å |
| 1105 | K | 90.5 | Very high | 81.4 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 26% | 0.261 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.1 | -44.9 | 173.4 | -169.9 | 179.6 | 175.5 | -174.6 | 0 | 112.6 | I1101 N1102 Y1103 T1107 Q1108 F1110 K1190 I1194 | I1101-K1105 WeakPolarHBondContact O-CB 3.42Å; I1101-K1105 PolarHBondContact O-N 3.21Å; N1102-K1105 WeakPolarHBondContact O-CB 3.39Å; N1102-K1105 PolarHBondContact O-N 2.83Å; Y1103-K1105 PolarHBondContact O-N 3.05Å; K1105-T1107 VanDerWaalsContact C-N 3.32Å; K1105-T1107 PolarHBondContact O-N 2.93Å; K1105-Q1108 WeakPolarHBondContact O-CB 3.47Å; K1105-Q1108 PolarHBondContact O-N 2.86Å; K1105-F1110 HydrophobicContact CG-CZ 4.39Å; K1105-F1110 WeakPolarHBondContact O-CE2 3.32Å; K1105-K1190 HydrophobicContact CD-CG 4.35Å; K1105-I1194 HydrophobicContact CB-CD1 3.71Å; K1105-I1194 HydrophobicContact CB-CG1 3.84Å; K1105-I1194 HydrophobicContact CG-CD1 4.45Å; K1105-I1194 HydrophobicContact CG-CG1 4.08Å |
| 1106 | Q | 88.8 | Confident | 79.5 | Confident | 151 Ų | 151 | 60.3 Ų | 60.3 | 71% | 0.706 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -66.9 | -34.6 | -177.8 | -75.6 | 173.6 | -3.1 | 0 | 0 | 112.4 | N1102 Y1103 Q1108 | N1102-Q1106 WeakPolarHBondContact O-CB 3.23Å; N1102-Q1106 VanDerWaalsContact O-CG 3.31Å; N1102-Q1106 WeakPolarHBondContact O-CG 3.36Å; N1102-Q1106 PolarHBondContact O-N 3.3Å; Y1103-Q1106 PolarHBondContact O-N 2.74Å; Y1103-Q1106 VanDerWaalsContact O-N 3.15Å; Q1106-Q1108 VanDerWaalsContact C-N 3.35Å |
| 1107 | T | 88.5 | Confident | 77.6 | Confident | 44 Ų | 44 | 66.7 Ų | 66.7 | 27% | 0.27 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -84.1 | -9.6 | 178.5 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | Y1103 L1104 K1105 W1134 | Y1103-T1107 HydrophobicContact CD2-CG2 3.93Å; Y1103-T1107 HydrophobicContact CE1-CG2 4.19Å; Y1103-T1107 HydrophobicContact CE2-CG2 3.48Å; Y1103-T1107 VanDerWaalsContact CE2-CG2 3.48Å; Y1103-T1107 HydrophobicContact CG-CG2 4.46Å; Y1103-T1107 WeakPolarHBondContact O-CG2 3.41Å; Y1103-T1107 PolarHBondContact O-N 3.48Å; Y1103-T1107 PolarHBondContact O-OG1 2.84Å; L1104-T1107 PolarHBondContact O-OG1 2.96Å; K1105-T1107 VanDerWaalsContact C-N 3.32Å; K1105-T1107 PolarHBondContact O-N 2.93Å; T1107-W1134 PolarHBondContact OG1-NE1 2.94Å |
| 1108 | Q | 89.8 | Confident | 75.4 | Confident | 6 Ų | 6 | 75.3 Ų | 75.3 | 3% | 0.028 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -71.6 | 134.1 | 173.9 | -167.2 | 173.2 | 30.2 | 0 | 0 | 109.8 | L1104 K1105 Q1106 F1110 G1132 W1134 I1194 | L1104-Q1108 WeakPolarHBondContact O-CB 3.43Å; L1104-Q1108 PolarHBondContact O-N 2.92Å; K1105-Q1108 WeakPolarHBondContact O-CB 3.47Å; K1105-Q1108 PolarHBondContact O-N 2.86Å; Q1106-Q1108 VanDerWaalsContact C-N 3.35Å; Q1108-F1110 HydrophobicContact CB-CE2 4.09Å; Q1108-F1110 HydrophobicContact CB-CZ 4.13Å; Q1108-F1110 HydrophobicContact CG-CZ 4.34Å; Q1108-F1110 WeakPolarHBondContact O-CD2 3.28Å; Q1108-F1110 VanDerWaalsContact O-CE2 3.27Å; Q1108-F1110 WeakPolarHBondContact O-CE2 3.27Å; Q1108-G1132 PolarHBondContact NE2-O 3.2Å; Q1108-W1134 HydrophobicContact CB-CZ2 3.95Å; Q1108-W1134 HydrophobicContact CG-CH2 4.35Å; Q1108-W1134 HydrophobicContact CG-CZ2 3.95Å; Q1108-I1194 PolarHBondContact NE2-O 2.88Å; Q1108-I1194 VanDerWaalsContact NE2-O 3.14Å |
| 1109 | Q | 86.9 | Confident | 73.3 | Confident | 40 Ų | 40 | 80.3 Ų | 80.3 | 19% | 0.187 | 40% | 0.404 | C | S | . | . | trans | -76.8 | 135.1 | 178.5 | -64.7 | -159.2 | -25.6 | 0 | 0 | 111.3 | V1126 S1131 G1132 S1133 | Q1109-V1126 HydrophobicContact CB-CG1 3.87Å; Q1109-S1131 CarbonylContact O-C 3.59Å; Q1109-S1131 WeakPolarHBondContact O-CA 3.39Å; Q1109-G1132 PolarHBondContact O-N 3.5Å; Q1109-S1133 PolarHBondContact N-O 3.43Å | ||
| 1110 | F | 79.5 | Confident | 71.2 | Confident | 91 Ų | 91 | 84.5 Ų | 84.5 | 40% | 0.399 | 42% | 0.422 | S | S | . | . | trans | -121.5 | 150.7 | 177.5 | -65.2 | -80.5 | 0 | 0 | 0 | 111.4 | K1105 Q1108 T1112 V1126 E1197 | K1105-F1110 HydrophobicContact CG-CZ 4.39Å; K1105-F1110 WeakPolarHBondContact O-CE2 3.32Å; Q1108-F1110 HydrophobicContact CB-CE2 4.09Å; Q1108-F1110 HydrophobicContact CB-CZ 4.13Å; Q1108-F1110 HydrophobicContact CG-CZ 4.34Å; Q1108-F1110 WeakPolarHBondContact O-CD2 3.28Å; Q1108-F1110 VanDerWaalsContact O-CE2 3.27Å; Q1108-F1110 WeakPolarHBondContact O-CE2 3.27Å; F1110-T1112 PolarHBondContact O-N 3.23Å; F1110-V1126 WeakPolarHBondContact O-CB 3.23Å; F1110-E1197 HydrophobicContact CE1-CG 4.35Å | ||
| 1111 | N | 67.5 | Low | 69 | Low | 51 Ų | 51 | 92.3 Ų | 92.3 | 27% | 0.273 | 46% | 0.464 | S | S | . | . | trans | -69.2 | 124.3 | 170.4 | -176.2 | 11.9 | 0 | 0 | 0 | 110.4 | Y1113 S1131 | N1111-Y1113 WeakPolarHBondContact OD1-CD2 3.43Å; N1111-Y1113 PolarHBondContact OD1-N 3.38Å; N1111-Y1113 VanDerWaalsContact OD1-N 3.15Å; N1111-S1131 PolarHBondContact N-OG 3.4Å | ||
| 1112 | T | 62.2 | Low | 67.1 | Low | 47 Ų | 47 | 100.1 Ų | 100.1 | 29% | 0.288 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -85.1 | -1.3 | 179.1 | 30.7 | 0 | 0 | 0 | 0 | 114.6 | F1110 D1114 | F1110-T1112 PolarHBondContact O-N 3.23Å; T1112-D1114 PolarHBondContact O-N 3.49Å |
| 1113 | Y | 56.4 | Low | 65.2 | Low | 180 Ų | 180 | 104.6 Ų | 104.6 | 71% | 0.706 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -71.4 | -7.3 | -178.8 | -85.7 | -81.1 | 0 | 0 | 0 | 115.7 | N1111 I1125 | N1111-Y1113 WeakPolarHBondContact OD1-CD2 3.43Å; N1111-Y1113 PolarHBondContact OD1-N 3.38Å; N1111-Y1113 VanDerWaalsContact OD1-N 3.15Å; Y1113-I1125 HydrophobicContact CE2-CG2 4.26Å |
| 1114 | D | 50.8 | Low | 63.5 | Low | 156 Ų | 156 | 109.6 Ų | 109.6 | 83% | 0.834 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -96.9 | 8.5 | -178.8 | -112.9 | -1 | 0 | 0 | 0 | 114.5 | T1112 | T1112-D1114 PolarHBondContact O-N 3.49Š|
| 1115 | N | 47.7 | Very low | 62 | Low | 122 Ų | 122 | 115.7 Ų | 115.7 | 65% | 0.652 | 59% | 0.589 | S | S | * | * | trans | -115.8 | 100.3 | 174.7 | -72.7 | -36.5 | 0 | 0 | 0 | 110.5 | N1117 | N1115-N1117 PolarHBondContact O-N 2.99Š| ||
| 1116 | D | 46.3 | Very low | 60.9 | Low | 169 Ų | 169 | 113.9 Ų | 113.9 | 90% | 0.904 | 58% | 0.583 | S | S | * | * | trans | -59.8 | 14.7 | 166.7 | -87.7 | -30.5 | 0 | 0 | 0 | 114.4 | H1118 | D1116-H1118 PolarHBondContact O-N 3.37Š| ||
| 1117 | N | 47.4 | Very low | 60.4 | Low | 144 Ų | 144 | 108.7 Ų | 108.7 | 77% | 0.77 | 56% | 0.56 | S | S | * | * | trans | -97.5 | 85.7 | 177.7 | -76 | -23.1 | 0 | 0 | 0 | 110.4 | N1115 N1119 | N1115-N1117 PolarHBondContact O-N 2.99Å; N1117-N1119 PolarHBondContact O-N 2.71Å | ||
| 1118 | H | 42.1 | Very low | 60 | Low | 185 Ų | 185 | 110.7 Ų | 110.7 | 86% | 0.856 | 57% | 0.568 | S | S | * | * | trans | -70.1 | 50.6 | 178.9 | -139.3 | 6.7 | 0 | 0 | 0 | 113.4 | D1116 | D1116-H1118 PolarHBondContact O-N 3.37Š| ||
| 1119 | N | 46.3 | Very low | 59.7 | Low | 140 Ų | 140 | 113.7 Ų | 113.7 | 75% | 0.749 | 58% | 0.579 | S | S | * | * | trans | -152 | 76.8 | 178.3 | -81 | -37.3 | 0 | 0 | 0 | 111.7 | N1117 | N1117-N1119 PolarHBondContact O-N 2.71Š| ||
| 1120 | N | 45.3 | Very low | 59.7 | Low | 133 Ų | 133 | 112.7 Ų | 112.7 | 71% | 0.711 | 58% | 0.575 | S | S | * | * | trans | -170.3 | 93.2 | 153.6 | -90.8 | -24 | 0 | 0 | 0 | 110.5 | N1122 | N1120-N1122 PolarHBondContact O-N 3.34Š| ||
| 1121 | N | 45.9 | Very low | 60.1 | Low | 164 Ų | 164 | 108.8 Ų | 108.8 | 88% | 0.877 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 22.6 | -170.2 | -75.5 | -13.2 | 0 | 0 | 0 | 117 | ||
| 1122 | N | 52.4 | Low | 61 | Low | 165 Ų | 165 | 106.3 Ų | 106.3 | 88% | 0.882 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.6 | 12.1 | 179.5 | -90.8 | -11.4 | 0 | 0 | 0 | 115 | N1120 | N1120-N1122 PolarHBondContact O-N 3.34Š|
| 1123 | Q | 50.9 | Low | 62.4 | Low | 134 Ų | 134 | 104.1 Ų | 104.1 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -89.2 | 111.7 | 170.4 | -74.4 | -178.4 | -16.9 | 0 | 0 | 109.2 | I1125 | Q1123-I1125 PolarHBondContact O-N 2.69Š|
| 1124 | T | 56.2 | Low | 63.9 | Low | 120 Ų | 120 | 95.6 Ų | 95.6 | 74% | 0.736 | 50% | 0.499 | S | S | * | . | trans | -55 | 124.8 | 174 | 44 | 0 | 0 | 0 | 0 | 109 | V1126 | T1124-V1126 PolarHBondContact O-N 3.21Š| ||
| 1125 | I | 60.9 | Low | 65.5 | Low | 127 Ų | 127 | 91.4 Ų | 91.4 | 65% | 0.651 | 48% | 0.476 | S | S | * | . | trans | -61.4 | 107.8 | 176.1 | -59.5 | 171.2 | 0 | 0 | 0 | 106.8 | Y1113 Q1123 | Y1113-I1125 HydrophobicContact CE2-CG2 4.26Å; Q1123-I1125 PolarHBondContact O-N 2.69Å | ||
| 1126 | V | 66.9 | Low | 66.8 | Low | 23 Ų | 23 | 86.3 Ų | 86.3 | 14% | 0.139 | 45% | 0.449 | C | S | . | . | trans | -79.8 | 124.1 | 177.5 | 175 | 0 | 0 | 0 | 0 | 107.8 | Q1109 F1110 T1124 I1128 L1130 | Q1109-V1126 HydrophobicContact CB-CG1 3.87Å; F1110-V1126 WeakPolarHBondContact O-CB 3.23Å; T1124-V1126 PolarHBondContact O-N 3.21Å; V1126-I1128 PolarHBondContact O-N 3.24Å; V1126-L1130 HydrophobicContact CG1-CB 4.14Å | ||
| 1127 | D | 77.5 | Confident | 68 | Low | 42 Ų | 42 | 82.8 Ų | 82.8 | 23% | 0.225 | 43% | 0.434 | C | S | . | . | trans | -59.2 | 135 | 173.3 | -170.9 | -39.3 | 0 | 0 | 0 | 109.9 | R1129 L1130 S1131 I1157 | D1127-R1129 PolarHBondContact O-N 2.78Å; D1127-R1129 WeakPolarHBondContact OD1-CB 3.21Å; D1127-R1129 WeakPolarHBondContact OD1-CG 3.08Å; D1127-R1129 PolarHBondContact OD1-N 3.17Å; D1127-R1129 IonicContact OD1-NE 2.69Å; D1127-R1129 PolarHBondContact OD1-NE 3.38Å; D1127-R1129 IonicContact OD2-CZ 3.93Å; D1127-R1129 IonicContact OD2-NE 2.85Å; D1127-R1129 PolarHBondContact OD2-NE 2.8Å; D1127-R1129 IonicContact OD2-NH2 3.28Å; D1127-R1129 PolarHBondContact OD2-NH2 2.73Å; D1127-L1130 HydrophobicContact CB-CD1 4.48Å; D1127-L1130 PolarHBondContact O-N 2.9Å; D1127-S1131 PolarHBondContact O-N 3.45Å; D1127-I1157 HydrophobicContact CB-CD1 4.13Å; D1127-I1157 HydrophobicContact CB-CG2 4.15Å; D1127-I1157 VanDerWaalsContact OD2-CD1 3.24Å; D1127-I1157 WeakPolarHBondContact OD2-CD1 3.27Å | ||
| 1128 | I | 81.6 | Confident | 69.1 | Low | 86 Ų | 86 | 78.5 Ų | 78.5 | 44% | 0.441 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -26.8 | 177 | -166.9 | 166.7 | 0 | 0 | 0 | 112.9 | V1126 L1130 S1131 R1204 | V1126-I1128 PolarHBondContact O-N 3.24Å; I1128-L1130 VanDerWaalsContact C-N 3.27Å; I1128-L1130 PolarHBondContact O-N 2.85Å; I1128-S1131 VanDerWaalsContact O-CB 3.32Å; I1128-S1131 WeakPolarHBondContact O-CB 3.5Å; I1128-S1131 PolarHBondContact O-N 2.75Å; I1128-R1204 PolarHBondContact O-NH1 2.83Å |
| 1129 | R | 84.1 | Confident | 70.3 | Confident | 69 Ų | 69 | 72 Ų | 72 | 26% | 0.26 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -25.5 | 175 | -67.8 | -178.5 | -71.6 | 174 | -6.4 | 113.3 | D1127 D1155 I1157 D1158 F1201 H1205 | D1127-R1129 PolarHBondContact O-N 2.78Å; D1127-R1129 WeakPolarHBondContact OD1-CB 3.21Å; D1127-R1129 WeakPolarHBondContact OD1-CG 3.08Å; D1127-R1129 PolarHBondContact OD1-N 3.17Å; D1127-R1129 IonicContact OD1-NE 2.69Å; D1127-R1129 PolarHBondContact OD1-NE 3.38Å; D1127-R1129 IonicContact OD2-CZ 3.93Å; D1127-R1129 IonicContact OD2-NE 2.85Å; D1127-R1129 PolarHBondContact OD2-NE 2.8Å; D1127-R1129 IonicContact OD2-NH2 3.28Å; D1127-R1129 PolarHBondContact OD2-NH2 2.73Å; R1129-D1155 IonicContact CZ-OD2 3.04Å; R1129-D1155 VanDerWaalsContact CZ-OD2 3.32Å; R1129-D1155 IonicContact NH1-OD2 3.11Å; R1129-D1155 PolarHBondContact NH1-OD2 2.81Å; R1129-D1155 IonicContact NH2-OD2 3.53Å; R1129-D1155 PolarHBondContact NH2-OD2 3.09Å; R1129-I1157 HydrophobicContact CB-CG2 4.35Å; R1129-D1158 IonicContact CZ-OD1 3.52Å; R1129-D1158 IonicContact NH1-OD1 3.56Å; R1129-D1158 PolarHBondContact NH1-OD1 3.11Å; R1129-D1158 IonicContact NH1-OD2 3.61Å; R1129-F1201 VanDerWaalsContact O-CD2 3.31Å; R1129-F1201 WeakPolarHBondContact O-CD2 3.14Å; R1129-F1201 VanDerWaalsContact O-CE2 3.27Å; R1129-F1201 WeakPolarHBondContact O-CE2 3.3Å; R1129-H1205 PolarHBondContact O-NE2 3.05Å |
| 1130 | L | 86.9 | Confident | 71.7 | Confident | 18 Ų | 18 | 66 Ų | 66 | 9% | 0.094 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -10.2 | 177.2 | -62.9 | 169.9 | 0 | 0 | 0 | 112.9 | V1126 D1127 I1128 G1132 S1133 I1157 E1160 C1161 | V1126-L1130 HydrophobicContact CG1-CB 4.14Å; D1127-L1130 HydrophobicContact CB-CD1 4.48Å; D1127-L1130 PolarHBondContact O-N 2.9Å; I1128-L1130 VanDerWaalsContact C-N 3.27Å; I1128-L1130 PolarHBondContact O-N 2.85Å; L1130-G1132 PolarHBondContact O-N 2.78Å; L1130-S1133 WeakPolarHBondContact O-CB 3.46Å; L1130-S1133 PolarHBondContact O-N 2.91Å; L1130-S1133 PolarHBondContact O-OG 3.07Å; L1130-I1157 HydrophobicContact CD1-CG2 4.18Å; L1130-I1157 HydrophobicContact CG-CG2 4.12Å; L1130-E1160 HydrophobicContact CD2-CB 4.14Å; L1130-C1161 HydrophobicContact CD2-CB 4.46Å; L1130-C1161 WeakPolarHBondContact CD2-SG 3.17Å |
| 1131 | S | 87 | Confident | 73.5 | Confident | 9 Ų | 9 | 60 Ų | 60 | 6% | 0.063 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 126.3 | 176.5 | -171.8 | 0 | 0 | 0 | 0 | 110.9 | Q1109 N1111 D1127 I1128 | Q1109-S1131 CarbonylContact O-C 3.59Å; Q1109-S1131 WeakPolarHBondContact O-CA 3.39Å; N1111-S1131 PolarHBondContact N-OG 3.4Å; D1127-S1131 PolarHBondContact O-N 3.45Å; I1128-S1131 VanDerWaalsContact O-CB 3.32Å; I1128-S1131 WeakPolarHBondContact O-CB 3.5Å; I1128-S1131 PolarHBondContact O-N 2.75Å |
| 1132 | G | 85.9 | Confident | 75.2 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | -5.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q1108 Q1109 L1130 | Q1108-G1132 PolarHBondContact NE2-O 3.2Å; Q1109-G1132 PolarHBondContact O-N 3.5Å; L1130-G1132 PolarHBondContact O-N 2.78Å |
| 1133 | S | 91.1 | Very high | 76.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -97.8 | 166.6 | 179.3 | 73.5 | 0 | 0 | 0 | 0 | 113.7 | Q1109 L1130 R1164 | Q1109-S1133 PolarHBondContact N-O 3.43Å; L1130-S1133 WeakPolarHBondContact O-CB 3.46Å; L1130-S1133 PolarHBondContact O-N 2.91Å; L1130-S1133 PolarHBondContact O-OG 3.07Å; S1133-R1164 PolarHBondContact OG-NH1 2.66Å | ||
| 1134 | W | 89.8 | Confident | 78.3 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | trans | -109.7 | 144.2 | 170.9 | -70.5 | -90.5 | 0 | 0 | 0 | 111 | P1068 L1104 T1107 Q1108 R1164 T1168 V1171 I1194 A1198 | P1068-W1134 HydrophobicContact CB-CB 4.33Å; P1068-W1134 HydrophobicContact CB-CG 4.14Å; L1104-W1134 PolarHBondContact O-NE1 3.45Å; T1107-W1134 PolarHBondContact OG1-NE1 2.94Å; Q1108-W1134 HydrophobicContact CB-CZ2 3.95Å; Q1108-W1134 HydrophobicContact CG-CH2 4.35Å; Q1108-W1134 HydrophobicContact CG-CZ2 3.95Å; W1134-R1164 VanDerWaalsContact O-CD 3.24Å; W1134-R1164 WeakPolarHBondContact O-CD 3.2Å; W1134-R1164 WeakPolarHBondContact O-CG 3.41Å; W1134-T1168 HydrophobicContact CE3-CG2 4.01Å; W1134-T1168 HydrophobicContact CZ3-CG2 3.71Å; W1134-V1171 HydrophobicContact CD2-CG2 4.07Å; W1134-V1171 HydrophobicContact CE3-CB 4.25Å; W1134-V1171 HydrophobicContact CE3-CG2 3.83Å; W1134-V1171 HydrophobicContact CH2-CB 3.73Å; W1134-V1171 HydrophobicContact CH2-CG1 3.38Å; W1134-V1171 HydrophobicContact CH2-CG2 3.99Å; W1134-V1171 HydrophobicContact CZ2-CB 4.33Å; W1134-V1171 HydrophobicContact CZ2-CG1 3.77Å; W1134-V1171 HydrophobicContact CZ2-CG2 4.21Å; W1134-V1171 HydrophobicContact CZ3-CB 3.65Å; W1134-V1171 HydrophobicContact CZ3-CG1 3.88Å; W1134-V1171 HydrophobicContact CZ3-CG2 3.76Å; W1134-I1194 HydrophobicContact CH2-CG2 3.6Å; W1134-I1194 HydrophobicContact CZ2-CG2 3.66Å; W1134-A1198 HydrophobicContact CH2-CB 4.12Å; W1134-A1198 HydrophobicContact CZ3-CB 4.04Å | ||
| 1135 | N | 82.7 | Confident | 79.4 | Confident | 67 Ų | 67 | 35.6 Ų | 35.6 | 36% | 0.358 | 19% | 0.185 | S | C | . | . | trans | -79 | 138.6 | 174.5 | -168.1 | 22.2 | 0 | 0 | 0 | 110.5 | R1164 | N1135-R1164 PolarHBondContact OD1-NH2 2.94Š| ||
| 1136 | I | 75.7 | Confident | 80.1 | Confident | 16 Ų | 16 | 30.2 Ų | 30.2 | 8% | 0.082 | 16% | 0.158 | C | C | . | . | trans | -101.2 | 109.4 | 178 | -58.2 | 173.3 | 0 | 0 | 0 | 107.8 | F1144 R1163 | I1136-F1144 WeakPolarHBondContact CD1-O 3.42Å; I1136-R1163 HydrophobicContact CD1-CG 4.38Å; I1136-R1163 WeakPolarHBondContact CD1-O 3.33Å | ||
| 1137 | T | 70.4 | Confident | 80.3 | Confident | 94 Ų | 94 | 35 Ų | 35 | 58% | 0.577 | 18% | 0.18 | S | C | * | . | trans | -91.1 | -44.4 | 178.3 | 48.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1138 | N | 71.3 | Confident | 80.2 | Confident | 54 Ų | 54 | 34.3 Ų | 34.3 | 29% | 0.289 | 18% | 0.177 | S | C | . | . | trans | -113.5 | 126.7 | -177 | -70 | -13.3 | 0 | 0 | 0 | 110.8 | I1140 | N1138-I1140 PolarHBondContact O-N 3.3Š| ||
| 1139 | I | 68 | Low | 79.9 | Confident | 50 Ų | 50 | 34.1 Ų | 34.1 | 26% | 0.256 | 18% | 0.176 | S | C | . | . | trans | -88.9 | 90 | 176.3 | -55.1 | 170.6 | 0 | 0 | 0 | 107.7 | ||||
| 1140 | I | 75.3 | Confident | 79.6 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 7% | 0.067 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -73.1 | -55.4 | 176.1 | -61.5 | 170.3 | 0 | 0 | 0 | 109.4 | N1058 D1067 V1070 N1138 M1474 Y1553 | N1058-I1140 HydrophobicContact CB-CD1 4.11Å; D1067-I1140 VanDerWaalsContact OD2-CD1 3.31Å; D1067-I1140 WeakPolarHBondContact OD2-CD1 3.47Å; V1070-I1140 HydrophobicContact CG2-CD1 3.26Å; N1138-I1140 PolarHBondContact O-N 3.3Å; I1140-M1474 PolarHBondContact O-N 3.43Å; I1140-Y1553 HydrophobicContact CG2-CE2 3.6Å; I1140-Y1553 WeakPolarHBondContact CG2-OH 3.37Å; I1140-Y1553 VanDerWaalsContact O-CE2 3.32Å; I1140-Y1553 WeakPolarHBondContact O-CE2 3.38Å |
| 1141 | D | 82.5 | Confident | 79.4 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 4% | 0.043 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -118.1 | 125.8 | 179 | 179.9 | -8.5 | 0 | 0 | 0 | 109.1 | R1143 F1144 Y1553 | D1141-R1143 PolarHBondContact O-N 3.08Å; D1141-R1143 VanDerWaalsContact O-N 3.11Å; D1141-R1143 WeakPolarHBondContact OD1-CB 3.33Å; D1141-R1143 WeakPolarHBondContact OD1-CG 3.03Å; D1141-R1143 PolarHBondContact OD1-N 3.07Å; D1141-R1143 IonicContact OD1-NE 3.75Å; D1141-R1143 PolarHBondContact OD1-NE 2.91Å; D1141-R1143 IonicContact OD2-CZ 2.75Å; D1141-R1143 IonicContact OD2-NE 3.65Å; D1141-R1143 PolarHBondContact OD2-NE 3.39Å; D1141-R1143 IonicContact OD2-NH2 3.96Å; D1141-R1143 PolarHBondContact OD2-NH2 3.1Å; D1141-F1144 HydrophobicContact CB-CD2 3.98Å; D1141-F1144 PolarHBondContact O-N 3.17Å; D1141-Y1553 HydrophobicContact CB-CD1 4.38Å; D1141-Y1553 HydrophobicContact CB-CD2 3.62Å; D1141-Y1553 HydrophobicContact CB-CE2 3.8Å; D1141-Y1553 HydrophobicContact CB-CG 3.95Å |
| 1142 | R | 81.6 | Confident | 79.1 | Confident | 27 Ų | 27 | 47.6 Ų | 47.6 | 10% | 0.102 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -57.8 | -25.9 | 179.2 | -71.5 | 165.8 | 68.2 | 176.1 | -1.6 | 112.6 | F1144 S1145 L1469 G1473 E1551 | R1142-F1144 PolarHBondContact O-N 2.79Å; R1142-S1145 CarbonylContact O-C 3.59Å; R1142-S1145 VanDerWaalsContact O-C 3.29Å; R1142-S1145 PolarHBondContact O-N 2.87Å; R1142-S1145 VanDerWaalsContact O-N 3.16Å; R1142-L1469 HydrophobicContact CG-CD1 4.39Å; R1142-L1469 VanDerWaalsContact NH2-CB 3.34Å; R1142-L1469 VanDerWaalsContact NH2-CD1 3.27Å; R1142-G1473 VanDerWaalsContact CD-N 3.35Å; R1142-E1551 WeakPolarHBondContact CD-OE1 3.12Å; R1142-E1551 IonicContact NH1-OE1 3.89Å; R1142-E1551 IonicContact NH1-OE2 3.71Å; R1142-E1551 PolarHBondContact NH1-OE2 2.8Å; R1142-E1551 VanDerWaalsContact NH1-OE2 3.07Å |
| 1143 | R | 84.5 | Confident | 78.9 | Confident | 16 Ų | 16 | 49.6 Ų | 49.6 | 6% | 0.06 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -61.6 | -32.6 | 176.3 | -63.6 | 179.3 | -69.9 | -162.4 | -3.2 | 111.7 | D1141 S1145 F1213 G1283 Y1284 | D1141-R1143 PolarHBondContact O-N 3.08Å; D1141-R1143 VanDerWaalsContact O-N 3.11Å; D1141-R1143 WeakPolarHBondContact OD1-CB 3.33Å; D1141-R1143 WeakPolarHBondContact OD1-CG 3.03Å; D1141-R1143 PolarHBondContact OD1-N 3.07Å; D1141-R1143 IonicContact OD1-NE 3.75Å; D1141-R1143 PolarHBondContact OD1-NE 2.91Å; D1141-R1143 IonicContact OD2-CZ 2.75Å; D1141-R1143 IonicContact OD2-NE 3.65Å; D1141-R1143 PolarHBondContact OD2-NE 3.39Å; D1141-R1143 IonicContact OD2-NH2 3.96Å; D1141-R1143 PolarHBondContact OD2-NH2 3.1Å; R1143-S1145 VanDerWaalsContact C-N 3.34Å; R1143-F1213 HydrophobicContact CB-CD1 4.02Å; R1143-F1213 HydrophobicContact CB-CE1 3.88Å; R1143-F1213 HydrophobicContact CB-CZ 4.33Å; R1143-F1213 WeakPolarHBondContact O-CD1 3.48Å; R1143-F1213 WeakPolarHBondContact O-CE1 3.14Å; R1143-G1283 PolarHBondContact NH1-O 2.94Å; R1143-Y1284 HydrophobicContact CG-CD2 3.91Å; R1143-Y1284 HydrophobicContact CG-CE2 4.42Å |
| 1144 | F | 84.3 | Confident | 78.5 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -83.2 | -8.2 | 178.4 | -75.7 | -89 | 0 | 0 | 0 | 114.4 | L1069 I1136 D1141 R1142 P1166 M1170 F1213 I1217 F1330 | L1069-F1144 HydrophobicContact CD1-CD1 3.59Å; L1069-F1144 HydrophobicContact CD1-CE1 3.43Å; L1069-F1144 VanDerWaalsContact CD1-CE1 3.43Å; L1069-F1144 HydrophobicContact CD1-CG 4.26Å; L1069-F1144 HydrophobicContact CD1-CZ 3.94Å; L1069-F1144 HydrophobicContact CD2-CB 3.9Å; L1069-F1144 HydrophobicContact CD2-CD1 3.77Å; L1069-F1144 HydrophobicContact CD2-CD2 4.01Å; L1069-F1144 HydrophobicContact CD2-CE1 4.3Å; L1069-F1144 HydrophobicContact CD2-CE2 4.48Å; L1069-F1144 HydrophobicContact CD2-CG 3.61Å; L1069-F1144 HydrophobicContact CG-CD1 4.35Å; L1069-F1144 HydrophobicContact CG-CE1 4.5Å; I1136-F1144 WeakPolarHBondContact CD1-O 3.42Å; D1141-F1144 HydrophobicContact CB-CD2 3.98Å; D1141-F1144 PolarHBondContact O-N 3.17Å; R1142-F1144 PolarHBondContact O-N 2.79Å; F1144-P1166 HydrophobicContact CB-CB 4.48Å; F1144-P1166 HydrophobicContact CD1-CB 3.62Å; F1144-P1166 HydrophobicContact CE1-CB 4.19Å; F1144-P1166 HydrophobicContact CG-CB 4.32Å; F1144-M1170 HydrophobicContact CE1-CB 4.04Å; F1144-M1170 HydrophobicContact CE1-CG 4.44Å; F1144-F1213 HydrophobicContact CE1-CZ 4.49Å; F1144-F1213 HydrophobicContact CE2-CZ 4.36Å; F1144-F1213 HydrophobicContact CZ-CZ 4.23Å; F1144-I1217 HydrophobicContact CE1-CD1 4.3Å; F1144-F1330 HydrophobicContact CE2-CD1 4.35Å; F1144-F1330 AromaticContact CE2-CE1 3.95Å; F1144-F1330 HydrophobicContact CE2-CE1 3.95Å; F1144-F1330 HydrophobicContact CE2-CE2 4.49Å; F1144-F1330 HydrophobicContact CE2-CZ 4.03Å; F1144-F1330 AromaticContact CZ-CE1 3.78Å; F1144-F1330 HydrophobicContact CZ-CE1 3.78Å; F1144-F1330 HydrophobicContact CZ-CE2 4.18Å; F1144-F1330 AromaticContact CZ-CZ 3.53Å; F1144-F1330 HydrophobicContact CZ-CZ 3.53Å |
| 1145 | S | 79.6 | Confident | 78.3 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -128.5 | 71.2 | 174.3 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | R1142 R1143 | R1142-S1145 CarbonylContact O-C 3.59Å; R1142-S1145 VanDerWaalsContact O-C 3.29Å; R1142-S1145 PolarHBondContact O-N 2.87Å; R1142-S1145 VanDerWaalsContact O-N 3.16Å; R1143-S1145 VanDerWaalsContact C-N 3.34Å |
| 1146 | P | 76 | Confident | 78.4 | Confident | 14 Ų | 14 | 60 Ų | 60 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 146.4 | -177 | 29.6 | -39.4 | 0 | 0 | 0 | 111.3 | I1148 D1211 S1214 | P1146-I1148 PolarHBondContact O-N 2.75Å; P1146-D1211 HydrophobicContact CB-CB 3.78Å; P1146-S1214 WeakPolarHBondContact CG-OG 3.38Å |
| 1147 | M | 70.6 | Confident | 78.9 | Confident | 123 Ų | 123 | 61.7 Ų | 61.7 | 61% | 0.606 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 126.7 | 172.5 | -169.1 | 177.3 | 177.3 | 0 | 0 | 109.3 | P1468 L1469 | M1147-P1468 HydrophobicContact SD-CB 4.24Å; M1147-P1468 HydrophobicContact SD-CG 4.05Å; M1147-L1469 HydrophobicContact CB-CD2 4.1Å; M1147-L1469 HydrophobicContact CG-CD2 4.16Å; M1147-L1469 HydrophobicContact SD-CD2 3.96Å |
| 1148 | I | 75.1 | Confident | 79.5 | Confident | 29 Ų | 29 | 59 Ų | 59 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -98.6 | 134.2 | 177.7 | -62.9 | 142.3 | 0 | 0 | 0 | 108.8 | P1146 Q1150 W1153 Q1159 H1162 R1163 | P1146-I1148 PolarHBondContact O-N 2.75Å; I1148-Q1150 PolarHBondContact O-N 3.32Å; I1148-W1153 HydrophobicContact CG2-CB 4.15Å; I1148-W1153 HydrophobicContact CG2-CG 4.29Å; I1148-Q1159 HydrophobicContact CD1-CB 4.08Å; I1148-Q1159 WeakPolarHBondContact CD1-O 3.33Å; I1148-Q1159 HydrophobicContact CG2-CB 4.34Å; I1148-Q1159 HydrophobicContact CG2-CG 3.92Å; I1148-H1162 HydrophobicContact CD1-CB 4.04Å; I1148-H1162 HydrophobicContact CG1-CB 3.97Å; I1148-R1163 HydrophobicContact CD1-CB 3.99Å |
| 1149 | N | 76.2 | Confident | 80.2 | Confident | 81 Ų | 81 | 58 Ų | 58 | 43% | 0.433 | 30% | 0.301 | S | S | . | . | trans | -70.4 | 99.4 | 174.7 | -172.6 | -3.7 | 0 | 0 | 0 | 109.6 | T1151 K1152 W1153 | N1149-T1151 VanDerWaalsContact CG-OG1 3.3Å; N1149-T1151 PolarHBondContact ND2-OG1 3.43Å; N1149-T1151 PolarHBondContact O-N 3.4Å; N1149-T1151 VanDerWaalsContact O-N 3.11Å; N1149-T1151 PolarHBondContact OD1-N 3.28Å; N1149-T1151 PolarHBondContact OD1-OG1 2.93Å; N1149-K1152 HydrophobicContact CB-CB 4.16Å; N1149-K1152 PolarHBondContact O-N 2.68Å; N1149-W1153 PolarHBondContact O-N 3.26Å; N1149-W1153 VanDerWaalsContact O-N 3.13Å | ||
| 1150 | Q | 76.8 | Confident | 81 | Confident | 146 Ų | 146 | 58.2 Ų | 58.2 | 68% | 0.682 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -28.3 | -179.4 | -66.3 | 177.9 | -5.2 | 0 | 0 | 112.6 | I1148 W1153 | I1148-Q1150 PolarHBondContact O-N 3.32Å; Q1150-W1153 CarbonylContact O-C 3.59Å |
| 1151 | T | 82.5 | Confident | 81.6 | Confident | 122 Ų | 122 | 57.6 Ų | 57.6 | 75% | 0.748 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -31 | 178.4 | 65.3 | 0 | 0 | 0 | 0 | 112.9 | N1149 | N1149-T1151 VanDerWaalsContact CG-OG1 3.3Å; N1149-T1151 PolarHBondContact ND2-OG1 3.43Å; N1149-T1151 PolarHBondContact O-N 3.4Å; N1149-T1151 VanDerWaalsContact O-N 3.11Å; N1149-T1151 PolarHBondContact OD1-N 3.28Å; N1149-T1151 PolarHBondContact OD1-OG1 2.93Å |
| 1152 | K | 80.8 | Confident | 81.8 | Confident | 112 Ų | 112 | 57.6 Ų | 57.6 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -31.8 | -178.3 | -171.8 | 171.5 | 172.2 | -174.2 | 0 | 112 | N1149 P1154 D1210 | N1149-K1152 HydrophobicContact CB-CB 4.16Å; N1149-K1152 PolarHBondContact O-N 2.68Å; K1152-P1154 WeakPolarHBondContact O-CD 3.21Å; K1152-D1210 WeakPolarHBondContact CD-OD2 2.92Å; K1152-D1210 IonicContact NZ-OD1 3.73Å; K1152-D1210 PolarHBondContact NZ-OD1 2.78Å; K1152-D1210 IonicContact NZ-OD2 3.58Å |
| 1153 | W | 81.8 | Confident | 82 | Confident | 41 Ų | 41 | 58.9 Ų | 58.9 | 16% | 0.155 | 30% | 0.302 | C | S | . | . | trans | -122.8 | 84.4 | -177.8 | -56.7 | 104.8 | 0 | 0 | 0 | 109.8 | I1148 N1149 Q1150 D1155 D1158 Q1159 H1162 N1208 D1210 | I1148-W1153 HydrophobicContact CG2-CB 4.15Å; I1148-W1153 HydrophobicContact CG2-CG 4.29Å; N1149-W1153 PolarHBondContact O-N 3.26Å; N1149-W1153 VanDerWaalsContact O-N 3.13Å; Q1150-W1153 CarbonylContact O-C 3.59Å; W1153-D1155 VanDerWaalsContact C-N 3.32Å; W1153-D1155 PolarHBondContact O-N 2.61Å; W1153-D1158 HydrophobicContact CE3-CB 4.39Å; W1153-Q1159 HydrophobicContact CB-CG 4.23Å; W1153-Q1159 WeakPolarHBondContact O-CG 3.42Å; W1153-Q1159 PolarHBondContact O-NE2 3.42Å; W1153-H1162 AromaticContact CD1-ND1 3.99Å; W1153-H1162 AromaticContact CD2-CE1 3.64Å; W1153-H1162 AromaticContact CE2-CE1 3.42Å; W1153-H1162 VanDerWaalsContact CE2-CE1 3.42Å; W1153-H1162 AromaticContact CZ2-CE1 3.72Å; W1153-H1162 AromaticContact NE1-CE1 3.68Å; W1153-H1162 AromaticContact NE1-ND1 3.87Å; W1153-N1208 HydrophobicContact CH2-CB 3.86Å; W1153-N1208 HydrophobicContact CZ2-CB 4.36Å; W1153-N1208 WeakPolarHBondContact CZ2-O 3.31Å; W1153-D1210 PolarHBondContact NE1-OD2 2.98Å | ||
| 1154 | P | 82.4 | Confident | 82.3 | Confident | 109 Ų | 109 | 58.8 Ų | 58.8 | 71% | 0.708 | 30% | 0.302 | S | S | * | . | trans | -72.7 | -24.2 | -177.3 | 28.1 | -34.3 | 0 | 0 | 0 | 113.2 | K1152 L1156 | K1152-P1154 WeakPolarHBondContact O-CD 3.21Å; P1154-L1156 PolarHBondContact O-N 2.98Å | ||
| 1155 | D | 85.7 | Confident | 82.6 | Confident | 55 Ų | 55 | 58.5 Ų | 58.5 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | trans | -74.9 | 121.9 | 176.9 | -171.1 | -5.4 | 0 | 0 | 0 | 110.6 | R1129 W1153 I1157 D1158 Q1159 | R1129-D1155 IonicContact CZ-OD2 3.04Å; R1129-D1155 VanDerWaalsContact CZ-OD2 3.32Å; R1129-D1155 IonicContact NH1-OD2 3.11Å; R1129-D1155 PolarHBondContact NH1-OD2 2.81Å; R1129-D1155 IonicContact NH2-OD2 3.53Å; R1129-D1155 PolarHBondContact NH2-OD2 3.09Å; W1153-D1155 VanDerWaalsContact C-N 3.32Å; W1153-D1155 PolarHBondContact O-N 2.61Å; D1155-I1157 PolarHBondContact O-N 3.19Å; D1155-I1157 PolarHBondContact OD1-N 3.32Å; D1155-D1158 HydrophobicContact CB-CB 4.25Å; D1155-D1158 PolarHBondContact O-N 3.05Å; D1155-Q1159 WeakPolarHBondContact O-CG 3.46Å; D1155-Q1159 PolarHBondContact O-N 2.59Å; D1155-Q1159 VanDerWaalsContact O-N 3.1Å | ||
| 1156 | L | 84.8 | Confident | 83.2 | Confident | 125 Ų | 125 | 57.6 Ų | 57.6 | 65% | 0.654 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -57.9 | -31.6 | 176.3 | -72.2 | 166.4 | 0 | 0 | 0 | 112 | P1154 Q1159 E1160 | P1154-L1156 PolarHBondContact O-N 2.98Å; L1156-Q1159 WeakPolarHBondContact O-CB 3.2Å; L1156-Q1159 PolarHBondContact O-N 3.48Å; L1156-E1160 WeakPolarHBondContact O-CG 2.99Å; L1156-E1160 PolarHBondContact O-N 3.42Å |
| 1157 | I | 86.1 | Confident | 83.8 | Confident | 51 Ų | 51 | 57.2 Ų | 57.2 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -72.4 | -41.3 | -179.1 | -61.4 | 177.9 | 0 | 0 | 0 | 110.5 | D1127 R1129 L1130 D1155 Q1159 E1160 C1161 | D1127-I1157 HydrophobicContact CB-CD1 4.13Å; D1127-I1157 HydrophobicContact CB-CG2 4.15Å; D1127-I1157 VanDerWaalsContact OD2-CD1 3.24Å; D1127-I1157 WeakPolarHBondContact OD2-CD1 3.27Å; R1129-I1157 HydrophobicContact CB-CG2 4.35Å; L1130-I1157 HydrophobicContact CD1-CG2 4.18Å; L1130-I1157 HydrophobicContact CG-CG2 4.12Å; D1155-I1157 PolarHBondContact O-N 3.19Å; D1155-I1157 PolarHBondContact OD1-N 3.32Å; I1157-Q1159 VanDerWaalsContact C-N 3.3Å; I1157-Q1159 PolarHBondContact O-N 2.63Å; I1157-E1160 PolarHBondContact O-N 2.87Å; I1157-C1161 PolarHBondContact O-N 2.88Å; I1157-C1161 PolarHBondContact O-SG 2.86Å |
| 1158 | D | 84.5 | Confident | 84.9 | Confident | 36 Ų | 36 | 51.3 Ų | 51.3 | 19% | 0.193 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.4 | -35.7 | 175.8 | -68.3 | -21.2 | 0 | 0 | 0 | 111.1 | R1129 W1153 D1155 C1161 H1162 | R1129-D1158 IonicContact CZ-OD1 3.52Å; R1129-D1158 IonicContact NH1-OD1 3.56Å; R1129-D1158 PolarHBondContact NH1-OD1 3.11Å; R1129-D1158 IonicContact NH1-OD2 3.61Å; W1153-D1158 HydrophobicContact CE3-CB 4.39Å; D1155-D1158 HydrophobicContact CB-CB 4.25Å; D1155-D1158 PolarHBondContact O-N 3.05Å; D1158-C1161 WeakPolarHBondContact O-CB 3.48Å; D1158-C1161 PolarHBondContact O-N 3.13Å; D1158-H1162 PolarHBondContact O-CD2 3.36Å; D1158-H1162 PolarHBondContact O-N 2.63Å |
| 1159 | Q | 84.6 | Confident | 85.8 | Confident | 34 Ų | 34 | 50 Ų | 50 | 16% | 0.159 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59 | -51.5 | 170.1 | -65.1 | 175 | 22.5 | 0 | 0 | 110.7 | I1148 W1153 D1155 L1156 I1157 C1161 H1162 R1163 | I1148-Q1159 HydrophobicContact CD1-CB 4.08Å; I1148-Q1159 WeakPolarHBondContact CD1-O 3.33Å; I1148-Q1159 HydrophobicContact CG2-CB 4.34Å; I1148-Q1159 HydrophobicContact CG2-CG 3.92Å; W1153-Q1159 HydrophobicContact CB-CG 4.23Å; W1153-Q1159 WeakPolarHBondContact O-CG 3.42Å; W1153-Q1159 PolarHBondContact O-NE2 3.42Å; D1155-Q1159 WeakPolarHBondContact O-CG 3.46Å; D1155-Q1159 PolarHBondContact O-N 2.59Å; D1155-Q1159 VanDerWaalsContact O-N 3.1Å; L1156-Q1159 WeakPolarHBondContact O-CB 3.2Å; L1156-Q1159 PolarHBondContact O-N 3.48Å; I1157-Q1159 VanDerWaalsContact C-N 3.3Å; I1157-Q1159 PolarHBondContact O-N 2.63Å; Q1159-C1161 VanDerWaalsContact C-N 3.31Å; Q1159-C1161 PolarHBondContact O-N 3.41Å; Q1159-H1162 PolarHBondContact O-N 3.03Å; Q1159-H1162 VanDerWaalsContact O-N 3.17Å; Q1159-R1163 PolarHBondContact O-N 3.48Å |
| 1160 | E | 85.7 | Confident | 86.6 | Confident | 55 Ų | 55 | 46.1 Ų | 46.1 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.1 | -38.7 | 176.4 | -77.4 | -62.7 | 138.4 | 0 | 0 | 112.9 | L1130 L1156 I1157 H1162 R1163 R1164 | L1130-E1160 HydrophobicContact CD2-CB 4.14Å; L1156-E1160 WeakPolarHBondContact O-CG 2.99Å; L1156-E1160 PolarHBondContact O-N 3.42Å; I1157-E1160 PolarHBondContact O-N 2.87Å; E1160-H1162 PolarHBondContact O-N 3.37Å; E1160-R1163 PolarHBondContact O-N 2.99Å; E1160-R1163 IonicContact OE1-CZ 3.77Å; E1160-R1163 IonicContact OE1-NE 3.76Å; E1160-R1163 PolarHBondContact OE1-NE 2.94Å; E1160-R1163 VanDerWaalsContact OE1-NE 3.16Å; E1160-R1163 IonicContact OE1-NH1 3.82Å; E1160-R1163 IonicContact OE1-NH2 3.94Å; E1160-R1163 PolarHBondContact OE1-NH2 3.27Å; E1160-R1163 IonicContact OE2-CZ 3.17Å; E1160-R1163 IonicContact OE2-NE 3.33Å; E1160-R1163 PolarHBondContact OE2-NE 2.89Å; E1160-R1163 IonicContact OE2-NH2 3.85Å; E1160-R1163 PolarHBondContact OE2-NH2 3.45Å; E1160-R1164 WeakPolarHBondContact O-CD 3.44Å; E1160-R1164 WeakPolarHBondContact O-CG 3.35Å; E1160-R1164 PolarHBondContact O-N 3.27Å; E1160-R1164 VanDerWaalsContact O-N 3.16Å; E1160-R1164 IonicContact OE2-CZ 2.99Å; E1160-R1164 IonicContact OE2-NE 2.99Å; E1160-R1164 PolarHBondContact OE2-NE 3.46Å; E1160-R1164 IonicContact OE2-NH2 3.93Å |
| 1161 | C | 87.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.1 | -49.1 | 173.9 | -71.7 | 0 | 0 | 0 | 0 | 110.9 | L1130 I1157 D1158 Q1159 R1163 R1164 I1165 F1201 H1205 | L1130-C1161 HydrophobicContact CD2-CB 4.46Å; L1130-C1161 WeakPolarHBondContact CD2-SG 3.17Å; I1157-C1161 PolarHBondContact O-N 2.88Å; I1157-C1161 PolarHBondContact O-SG 2.86Å; D1158-C1161 WeakPolarHBondContact O-CB 3.48Å; D1158-C1161 PolarHBondContact O-N 3.13Å; Q1159-C1161 VanDerWaalsContact C-N 3.31Å; Q1159-C1161 PolarHBondContact O-N 3.41Å; C1161-R1163 VanDerWaalsContact C-N 3.35Å; C1161-R1163 PolarHBondContact O-N 3.46Å; C1161-R1164 PolarHBondContact O-N 3.28Å; C1161-I1165 WeakPolarHBondContact O-CG1 3.44Å; C1161-I1165 PolarHBondContact O-N 2.85Å; C1161-F1201 HydrophobicContact CB-CE2 4.45Å; C1161-F1201 HydrophobicContact CB-CZ 4.46Å; C1161-H1205 VanDerWaalsContact SG-CE1 3.57Å; C1161-H1205 PolarHBondContact SG-NE2 2.98Å; C1161-H1205 VanDerWaalsContact SG-NE2 3.45Å |
| 1162 | H | 86.1 | Confident | 87.9 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 3% | 0.032 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65 | -39.1 | -179.3 | -68.4 | -176.5 | 0 | 0 | 0 | 112.3 | I1148 W1153 D1158 Q1159 E1160 R1164 I1165 N1208 | I1148-H1162 HydrophobicContact CD1-CB 4.04Å; I1148-H1162 HydrophobicContact CG1-CB 3.97Å; W1153-H1162 AromaticContact CD1-ND1 3.99Å; W1153-H1162 AromaticContact CD2-CE1 3.64Å; W1153-H1162 AromaticContact CE2-CE1 3.42Å; W1153-H1162 VanDerWaalsContact CE2-CE1 3.42Å; W1153-H1162 AromaticContact CZ2-CE1 3.72Å; W1153-H1162 AromaticContact NE1-CE1 3.68Å; W1153-H1162 AromaticContact NE1-ND1 3.87Å; D1158-H1162 PolarHBondContact O-CD2 3.36Å; D1158-H1162 PolarHBondContact O-N 2.63Å; Q1159-H1162 PolarHBondContact O-N 3.03Å; Q1159-H1162 VanDerWaalsContact O-N 3.17Å; E1160-H1162 PolarHBondContact O-N 3.37Å; H1162-R1164 VanDerWaalsContact C-N 3.27Å; H1162-R1164 PolarHBondContact O-N 3.08Å; H1162-I1165 PolarHBondContact O-N 2.64Å; H1162-N1208 PolarHBondContact CE1-O 3.11Å; H1162-N1208 PolarHBondContact NE2-O 3.45Å |
| 1163 | R | 85.9 | Confident | 88.5 | Confident | 55 Ų | 55 | 28.1 Ų | 28.1 | 21% | 0.208 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.3 | -35.3 | 178.1 | -167.5 | 171.5 | 69.8 | 144.1 | 4.8 | 112.3 | I1136 I1148 Q1159 E1160 C1161 | I1136-R1163 HydrophobicContact CD1-CG 4.38Å; I1136-R1163 WeakPolarHBondContact CD1-O 3.33Å; I1148-R1163 HydrophobicContact CD1-CB 3.99Å; Q1159-R1163 PolarHBondContact O-N 3.48Å; E1160-R1163 PolarHBondContact O-N 2.99Å; E1160-R1163 IonicContact OE1-CZ 3.77Å; E1160-R1163 IonicContact OE1-NE 3.76Å; E1160-R1163 PolarHBondContact OE1-NE 2.94Å; E1160-R1163 VanDerWaalsContact OE1-NE 3.16Å; E1160-R1163 IonicContact OE1-NH1 3.82Å; E1160-R1163 IonicContact OE1-NH2 3.94Å; E1160-R1163 PolarHBondContact OE1-NH2 3.27Å; E1160-R1163 IonicContact OE2-CZ 3.17Å; E1160-R1163 IonicContact OE2-NE 3.33Å; E1160-R1163 PolarHBondContact OE2-NE 2.89Å; E1160-R1163 IonicContact OE2-NH2 3.85Å; E1160-R1163 PolarHBondContact OE2-NH2 3.45Å; C1161-R1163 VanDerWaalsContact C-N 3.35Å; C1161-R1163 PolarHBondContact O-N 3.46Å |
| 1164 | R | 90.2 | Very high | 89 | Confident | 14 Ų | 14 | 26.1 Ų | 26.1 | 5% | 0.053 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -87.5 | -11.9 | -172.7 | -65.8 | 172 | -177.5 | -161.5 | 1.3 | 114.9 | S1133 W1134 N1135 E1160 C1161 H1162 S1167 T1168 F1201 | S1133-R1164 PolarHBondContact OG-NH1 2.66Å; W1134-R1164 VanDerWaalsContact O-CD 3.24Å; W1134-R1164 WeakPolarHBondContact O-CD 3.2Å; W1134-R1164 WeakPolarHBondContact O-CG 3.41Å; N1135-R1164 PolarHBondContact OD1-NH2 2.94Å; E1160-R1164 WeakPolarHBondContact O-CD 3.44Å; E1160-R1164 WeakPolarHBondContact O-CG 3.35Å; E1160-R1164 PolarHBondContact O-N 3.27Å; E1160-R1164 VanDerWaalsContact O-N 3.16Å; E1160-R1164 IonicContact OE2-CZ 2.99Å; E1160-R1164 IonicContact OE2-NE 2.99Å; E1160-R1164 PolarHBondContact OE2-NE 3.46Å; E1160-R1164 IonicContact OE2-NH2 3.93Å; C1161-R1164 PolarHBondContact O-N 3.28Å; H1162-R1164 VanDerWaalsContact C-N 3.27Å; H1162-R1164 PolarHBondContact O-N 3.08Å; R1164-S1167 PolarHBondContact O-N 3.39Å; R1164-S1167 PolarHBondContact O-OG 3.38Å; R1164-T1168 WeakPolarHBondContact O-CB 3.22Å; R1164-T1168 PolarHBondContact O-N 2.85Å; R1164-T1168 PolarHBondContact O-OG1 3.25Å; R1164-F1201 HydrophobicContact CB-CZ 4.33Å |
| 1165 | I | 91.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.7 | -48.4 | -176.4 | -74.3 | 160 | 0 | 0 | 0 | 112.8 | C1161 H1162 S1167 T1168 A1169 F1201 L1202 H1205 I1209 | C1161-I1165 WeakPolarHBondContact O-CG1 3.44Å; C1161-I1165 PolarHBondContact O-N 2.85Å; H1162-I1165 PolarHBondContact O-N 2.64Å; I1165-S1167 PolarHBondContact O-N 3.5Å; I1165-T1168 PolarHBondContact O-N 3.04Å; I1165-A1169 VanDerWaalsContact O-CB 3.29Å; I1165-A1169 WeakPolarHBondContact O-CB 3.36Å; I1165-A1169 PolarHBondContact O-N 3.31Å; I1165-F1201 HydrophobicContact CG1-CE1 3.78Å; I1165-F1201 HydrophobicContact CG1-CZ 4.23Å; I1165-L1202 HydrophobicContact CB-CD2 4.29Å; I1165-L1202 HydrophobicContact CG1-CD2 4.21Å; I1165-L1202 HydrophobicContact CG2-CD2 3.76Å; I1165-H1205 HydrophobicContact CD1-CB 3.82Å; I1165-I1209 HydrophobicContact CB-CD1 4.3Å; I1165-I1209 HydrophobicContact CD1-CD1 3.34Å; I1165-I1209 HydrophobicContact CD1-CG1 3.55Å; I1165-I1209 HydrophobicContact CG1-CD1 4.26Å; I1165-I1209 HydrophobicContact CG2-CD1 3.71Å |
| 1166 | P | 91.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.3 | -44.9 | 178.6 | -27.6 | 36.4 | 0 | 0 | 0 | 113.8 | F1144 A1169 M1170 F1213 S1214 I1217 | F1144-P1166 HydrophobicContact CB-CB 4.48Å; F1144-P1166 HydrophobicContact CD1-CB 3.62Å; F1144-P1166 HydrophobicContact CE1-CB 4.19Å; F1144-P1166 HydrophobicContact CG-CB 4.32Å; P1166-A1169 PolarHBondContact O-N 3.49Å; P1166-M1170 WeakPolarHBondContact O-CB 3.3Å; P1166-M1170 PolarHBondContact O-N 3.35Å; P1166-F1213 HydrophobicContact CB-CD1 4.45Å; P1166-F1213 HydrophobicContact CB-CE1 3.87Å; P1166-F1213 HydrophobicContact CG-CD1 4.36Å; P1166-F1213 HydrophobicContact CG-CE1 4.27Å; P1166-S1214 VanDerWaalsContact CG-OG 3.23Å; P1166-S1214 WeakPolarHBondContact CG-OG 3.46Å; P1166-I1217 HydrophobicContact CB-CG2 4.25Å |
| 1167 | S | 89.9 | Confident | 89.6 | Confident | 6 Ų | 6 | 17.5 Ų | 17.5 | 4% | 0.042 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | 178.7 | 69 | 0 | 0 | 0 | 0 | 112 | R1164 I1165 M1170 V1171 | R1164-S1167 PolarHBondContact O-N 3.39Å; R1164-S1167 PolarHBondContact O-OG 3.38Å; I1165-S1167 PolarHBondContact O-N 3.5Å; S1167-M1170 PolarHBondContact O-N 2.89Å; S1167-V1171 PolarHBondContact O-N 3.11Å; S1167-V1171 VanDerWaalsContact O-N 3.17Å |
| 1168 | T | 93.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.2 | -41.2 | 178.8 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | W1134 R1164 I1165 M1170 V1171 I1172 A1198 F1201 L1202 | W1134-T1168 HydrophobicContact CE3-CG2 4.01Å; W1134-T1168 HydrophobicContact CZ3-CG2 3.71Å; R1164-T1168 WeakPolarHBondContact O-CB 3.22Å; R1164-T1168 PolarHBondContact O-N 2.85Å; R1164-T1168 PolarHBondContact O-OG1 3.25Å; I1165-T1168 PolarHBondContact O-N 3.04Å; T1168-M1170 VanDerWaalsContact C-N 3.35Å; T1168-V1171 PolarHBondContact O-N 3.12Å; T1168-I1172 PolarHBondContact O-N 3.24Å; T1168-A1198 HydrophobicContact CG2-CB 3.84Å; T1168-F1201 HydrophobicContact CG2-CD1 3.75Å; T1168-F1201 HydrophobicContact CG2-CE1 4.28Å; T1168-L1202 HydrophobicContact CG2-CD2 4.34Å; T1168-L1202 HydrophobicContact CG2-CG 4.28Å |
| 1169 | A | 93.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1165 P1166 V1171 I1172 I1173 L1202 I1217 A1221 | I1165-A1169 VanDerWaalsContact O-CB 3.29Å; I1165-A1169 WeakPolarHBondContact O-CB 3.36Å; I1165-A1169 PolarHBondContact O-N 3.31Å; P1166-A1169 PolarHBondContact O-N 3.49Å; A1169-V1171 PolarHBondContact O-N 3.24Å; A1169-I1172 PolarHBondContact O-N 3.06Å; A1169-I1173 VanDerWaalsContact O-CG1 3.27Å; A1169-I1173 WeakPolarHBondContact O-CG1 3.29Å; A1169-I1173 PolarHBondContact O-N 3.37Å; A1169-L1202 HydrophobicContact CB-CD1 4.17Å; A1169-I1217 HydrophobicContact CB-CB 4.4Å; A1169-I1217 HydrophobicContact CB-CD1 4.47Å; A1169-I1217 HydrophobicContact CB-CG1 3.94Å; A1169-I1217 HydrophobicContact CB-CG2 3.98Å; A1169-A1221 HydrophobicContact CB-CB 3.72Å |
| 1170 | M | 92.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.1 | -38.3 | 178.4 | -172.8 | 57 | -158.8 | 0 | 0 | 112.7 | L1069 A1072 I1073 W1076 F1144 P1166 S1167 T1168 I1172 I1173 A1174 F1330 F1334 | L1069-M1170 HydrophobicContact CD1-CB 4.07Å; L1069-M1170 HydrophobicContact CD1-CG 4Å; A1072-M1170 HydrophobicContact CB-CG 4.34Å; I1073-M1170 HydrophobicContact CB-CE 4.42Å; I1073-M1170 HydrophobicContact CG1-CE 3.85Å; I1073-M1170 HydrophobicContact CG1-CG 4.21Å; W1076-M1170 HydrophobicContact CB-CE 4.08Å; W1076-M1170 HydrophobicContact CD2-CE 3.96Å; W1076-M1170 HydrophobicContact CE3-CE 3.55Å; W1076-M1170 HydrophobicContact CG-CE 4.2Å; W1076-M1170 HydrophobicContact CZ3-CE 4.23Å; F1144-M1170 HydrophobicContact CE1-CB 4.04Å; F1144-M1170 HydrophobicContact CE1-CG 4.44Å; P1166-M1170 WeakPolarHBondContact O-CB 3.3Å; P1166-M1170 PolarHBondContact O-N 3.35Å; S1167-M1170 PolarHBondContact O-N 2.89Å; T1168-M1170 VanDerWaalsContact C-N 3.35Å; M1170-I1172 VanDerWaalsContact C-N 3.33Å; M1170-I1172 PolarHBondContact O-N 2.89Å; M1170-I1173 PolarHBondContact O-N 3.39Å; M1170-I1173 HydrophobicContact SD-CB 4.4Å; M1170-I1173 HydrophobicContact SD-CG2 4.4Å; M1170-A1174 WeakPolarHBondContact O-CB 3.22Å; M1170-A1174 PolarHBondContact O-N 3.36Å; M1170-F1330 HydrophobicContact CE-CE2 4.4Å; M1170-F1330 HydrophobicContact SD-CE2 4.33Å; M1170-F1330 HydrophobicContact SD-CZ 4.05Å; M1170-F1334 HydrophobicContact SD-CZ 4.37Å |
| 1171 | V | 93 | Very high | 88.5 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 174.8 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | A1072 L1104 W1134 S1167 T1168 A1169 A1174 L1175 I1194 | A1072-V1171 HydrophobicContact CB-CB 4.46Å; A1072-V1171 HydrophobicContact CB-CG2 3.82Å; L1104-V1171 HydrophobicContact CD1-CG1 4.19Å; L1104-V1171 HydrophobicContact CD2-CG2 4.38Å; W1134-V1171 HydrophobicContact CD2-CG2 4.07Å; W1134-V1171 HydrophobicContact CE3-CB 4.25Å; W1134-V1171 HydrophobicContact CE3-CG2 3.83Å; W1134-V1171 HydrophobicContact CH2-CB 3.73Å; W1134-V1171 HydrophobicContact CH2-CG1 3.38Å; W1134-V1171 HydrophobicContact CH2-CG2 3.99Å; W1134-V1171 HydrophobicContact CZ2-CB 4.33Å; W1134-V1171 HydrophobicContact CZ2-CG1 3.77Å; W1134-V1171 HydrophobicContact CZ2-CG2 4.21Å; W1134-V1171 HydrophobicContact CZ3-CB 3.65Å; W1134-V1171 HydrophobicContact CZ3-CG1 3.88Å; W1134-V1171 HydrophobicContact CZ3-CG2 3.76Å; S1167-V1171 PolarHBondContact O-N 3.11Å; S1167-V1171 VanDerWaalsContact O-N 3.17Å; T1168-V1171 PolarHBondContact O-N 3.12Å; A1169-V1171 PolarHBondContact O-N 3.24Å; V1171-A1174 PolarHBondContact O-N 2.82Å; V1171-L1175 HydrophobicContact CG1-CD1 4.22Å; V1171-L1175 PolarHBondContact O-N 2.98Å; V1171-I1194 HydrophobicContact CG1-CG2 4.29Å |
| 1172 | I | 93.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.2 | -45.1 | 176.2 | -65.5 | 168.9 | 0 | 0 | 0 | 110.7 | T1168 A1169 M1170 A1174 L1175 R1176 A1198 V1199 L1202 A1221 A1225 | T1168-I1172 PolarHBondContact O-N 3.24Å; A1169-I1172 PolarHBondContact O-N 3.06Å; M1170-I1172 VanDerWaalsContact C-N 3.33Å; M1170-I1172 PolarHBondContact O-N 2.89Å; I1172-A1174 VanDerWaalsContact C-N 3.33Å; I1172-A1174 PolarHBondContact O-N 2.84Å; I1172-L1175 PolarHBondContact O-N 3.39Å; I1172-R1176 PolarHBondContact O-N 3.38Å; I1172-R1176 VanDerWaalsContact O-N 3.08Å; I1172-A1198 HydrophobicContact CD1-CB 3.73Å; I1172-A1198 HydrophobicContact CG1-CB 3.81Å; I1172-V1199 HydrophobicContact CD1-CG2 4.04Å; I1172-L1202 HydrophobicContact CD1-CD1 3.47Å; I1172-L1202 VanDerWaalsContact CD1-CD1 3.47Å; I1172-L1202 HydrophobicContact CD1-CG 4.26Å; I1172-A1221 HydrophobicContact CB-CB 4.1Å; I1172-A1221 HydrophobicContact CD1-CB 4.44Å; I1172-A1221 HydrophobicContact CG2-CB 4.06Å; I1172-A1221 WeakPolarHBondContact CG2-O 3.13Å; I1172-A1225 HydrophobicContact CG2-CB 3.87Å |
| 1173 | I | 93.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.3 | -45.3 | 177.9 | -69.1 | 163 | 0 | 0 | 0 | 110.2 | A1169 M1170 L1175 R1176 S1177 I1217 Y1220 A1221 F1334 | A1169-I1173 VanDerWaalsContact O-CG1 3.27Å; A1169-I1173 WeakPolarHBondContact O-CG1 3.29Å; A1169-I1173 PolarHBondContact O-N 3.37Å; M1170-I1173 PolarHBondContact O-N 3.39Å; M1170-I1173 HydrophobicContact SD-CB 4.4Å; M1170-I1173 HydrophobicContact SD-CG2 4.4Å; I1173-L1175 VanDerWaalsContact C-N 3.32Å; I1173-L1175 PolarHBondContact O-N 2.83Å; I1173-R1176 PolarHBondContact O-N 3.07Å; I1173-S1177 WeakPolarHBondContact O-CB 3.47Å; I1173-S1177 PolarHBondContact O-N 2.71Å; I1173-S1177 PolarHBondContact O-OG 3.39Å; I1173-I1217 HydrophobicContact CD1-CD1 4.1Å; I1173-I1217 HydrophobicContact CD1-CG1 3.52Å; I1173-Y1220 HydrophobicContact CD1-CD1 3.63Å; I1173-Y1220 HydrophobicContact CD1-CE1 4.1Å; I1173-Y1220 HydrophobicContact CG1-CD1 3.86Å; I1173-Y1220 HydrophobicContact CG1-CE1 4.01Å; I1173-Y1220 HydrophobicContact CG2-CE1 4.18Å; I1173-A1221 HydrophobicContact CD1-CB 4.3Å; I1173-A1221 HydrophobicContact CG1-CB 4Å; I1173-F1334 HydrophobicContact CG2-CZ 4.38Å |
| 1174 | A | 92.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.8 | -45 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1072 W1076 L1079 M1170 V1171 I1172 | A1072-A1174 HydrophobicContact CB-CB 4.33Å; A1072-A1174 WeakPolarHBondContact O-CB 3.42Å; W1076-A1174 HydrophobicContact CB-CB 3.89Å; L1079-A1174 WeakPolarHBondContact CD1-O 3.45Å; M1170-A1174 WeakPolarHBondContact O-CB 3.22Å; M1170-A1174 PolarHBondContact O-N 3.36Å; V1171-A1174 PolarHBondContact O-N 2.82Å; I1172-A1174 VanDerWaalsContact C-N 3.33Å; I1172-A1174 PolarHBondContact O-N 2.84Å |
| 1175 | L | 91.1 | Very high | 86.4 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -76.3 | -26.6 | -176.5 | -72.9 | 170.6 | 0 | 0 | 0 | 114.6 | L1075 I1101 V1171 I1172 I1173 L1182 A1191 I1194 V1195 | L1075-L1175 HydrophobicContact CD2-CD2 3.65Å; L1075-L1175 HydrophobicContact CD2-CG 4.18Å; I1101-L1175 HydrophobicContact CG1-CD2 4.43Å; V1171-L1175 HydrophobicContact CG1-CD1 4.22Å; V1171-L1175 PolarHBondContact O-N 2.98Å; I1172-L1175 PolarHBondContact O-N 3.39Å; I1173-L1175 VanDerWaalsContact C-N 3.32Å; I1173-L1175 PolarHBondContact O-N 2.83Å; L1175-L1182 HydrophobicContact CD2-CD2 3.96Å; L1175-A1191 HydrophobicContact CD1-CB 4.43Å; L1175-A1191 HydrophobicContact CD2-CB 4.05Å; L1175-I1194 HydrophobicContact CD1-CG2 4.36Å; L1175-V1195 HydrophobicContact CB-CG2 4.14Å; L1175-V1195 HydrophobicContact CD1-CG2 3.64Å |
| 1176 | R | 90 | Very high | 85.9 | Confident | 100 Ų | 100 | 34.3 Ų | 34.3 | 38% | 0.377 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -121.2 | -25.2 | -168.5 | -67.9 | -66.6 | -170.7 | 177.5 | 1.2 | 115.4 | I1172 I1173 T1178 V1195 V1224 | I1172-R1176 PolarHBondContact O-N 3.38Å; I1172-R1176 VanDerWaalsContact O-N 3.08Å; I1173-R1176 PolarHBondContact O-N 3.07Å; R1176-T1178 PolarHBondContact O-N 3.23Å; R1176-V1195 HydrophobicContact CG-CG2 4.47Å; R1176-V1224 HydrophobicContact CB-CG1 3.54Å |
| 1177 | S | 83.5 | Confident | 85.5 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -20.6 | -171.4 | 67.3 | 0 | 0 | 0 | 0 | 115.2 | W1076 I1173 E1179 | W1076-S1177 PolarHBondContact NE1-OG 2.76Å; I1173-S1177 WeakPolarHBondContact O-CB 3.47Å; I1173-S1177 PolarHBondContact O-N 2.71Å; I1173-S1177 PolarHBondContact O-OG 3.39Å; S1177-E1179 VanDerWaalsContact C-N 3.28Å; S1177-E1179 PolarHBondContact O-N 2.87Å |
| 1178 | T | 78.3 | Confident | 85.3 | Confident | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.043 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -10.7 | -172.8 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | W1076 L1079 L1080 R1176 R1180 | W1076-T1178 VanDerWaalsContact CD1-CG2 3.41Å; L1079-T1178 HydrophobicContact CB-CG2 4.03Å; L1080-T1178 HydrophobicContact CD2-CG2 4.02Å; L1080-T1178 HydrophobicContact CG-CG2 4.22Å; R1176-T1178 PolarHBondContact O-N 3.23Å; T1178-R1180 WeakPolarHBondContact O-CG 3.36Å; T1178-R1180 PolarHBondContact O-N 2.86Å; T1178-R1180 PolarHBondContact OG1-N 2.67Å |
| 1179 | E | 78.1 | Confident | 85 | Confident | 148 Ų | 148 | 40 Ų | 40 | 69% | 0.692 | 23% | 0.227 | S | C | * | . | trans | 55.2 | 16 | -172.2 | -61.7 | 166.1 | -147.6 | 0 | 0 | 113.2 | S1177 K1341 | S1177-E1179 VanDerWaalsContact C-N 3.28Å; S1177-E1179 PolarHBondContact O-N 2.87Å; E1179-K1341 IonicContact OE1-NZ 3.48Å; E1179-K1341 PolarHBondContact OE1-NZ 2.82Å | ||
| 1180 | R | 82.7 | Confident | 84.7 | Confident | 70 Ų | 70 | 42.3 Ų | 42.3 | 26% | 0.264 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -92.6 | 152.2 | 179.1 | -59.2 | -49.5 | -172.7 | 153.6 | 2.3 | 111.3 | L1079 T1178 L1182 | L1079-R1180 WeakPolarHBondContact O-CG 3.4Å; T1178-R1180 WeakPolarHBondContact O-CG 3.36Å; T1178-R1180 PolarHBondContact O-N 2.86Å; T1178-R1180 PolarHBondContact OG1-N 2.67Å; R1180-L1182 PolarHBondContact O-N 2.91Å |
| 1181 | T | 78.7 | Confident | 84.5 | Confident | 102 Ų | 102 | 42.4 Ų | 42.4 | 63% | 0.626 | 24% | 0.238 | S | C | * | . | P | Polyproline II helix | trans | -69.5 | 129 | 178.1 | 53.1 | 0 | 0 | 0 | 0 | 110.1 | R1082 | R1082-T1181 WeakPolarHBondContact CD-O 3.42Å; R1082-T1181 PolarHBondContact NE-O 2.97Å; R1082-T1181 PolarHBondContact NE-OG1 3.1Å |
| 1182 | L | 80.4 | Confident | 84.3 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 159.1 | 167.9 | -71 | 168.1 | 0 | 0 | 0 | 109.9 | L1079 L1175 R1180 S1184 A1188 A1191 | L1079-L1182 HydrophobicContact CD1-CD2 4.22Å; L1079-L1182 HydrophobicContact CD2-CD2 4.22Å; L1175-L1182 HydrophobicContact CD2-CD2 3.96Å; R1180-L1182 PolarHBondContact O-N 2.91Å; L1182-S1184 PolarHBondContact O-N 3.05Å; L1182-A1188 HydrophobicContact CB-CB 4.47Å; L1182-A1191 HydrophobicContact CD1-CB 3.85Å |
| 1183 | P | 74.2 | Confident | 84 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.013 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 135.1 | 173 | 24.4 | -35.8 | 0 | 0 | 0 | 110.8 | D1094 F1097 V1098 I1101 A1188 | D1094-P1183 HydrophobicContact CB-CB 4.44Å; F1097-P1183 HydrophobicContact CB-CB 4.49Å; F1097-P1183 HydrophobicContact CB-CG 3.81Å; V1098-P1183 HydrophobicContact CG2-CB 4.45Å; V1098-P1183 HydrophobicContact CG2-CG 4.37Å; I1101-P1183 HydrophobicContact CD1-CG 4.06Å; P1183-A1188 WeakPolarHBondContact O-CB 3.43Å; P1183-A1188 PolarHBondContact O-N 3.01Å |
| 1184 | S | 71.5 | Confident | 83.9 | Confident | 105 Ų | 105 | 55.6 Ų | 55.6 | 73% | 0.734 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | 154.8 | -174.9 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | L1182 | L1182-S1184 PolarHBondContact O-N 3.05Š|
| 1185 | G | 81.2 | Confident | 83.9 | Confident | 47 Ų | 47 | 56 Ų | 56 | 49% | 0.485 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | -134.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1187 A1188 D1189 | G1185-G1187 PolarHBondContact O-N 2.83Å; G1185-G1187 VanDerWaalsContact O-N 3.11Å; G1185-A1188 PolarHBondContact O-N 3.43Å; G1185-D1189 PolarHBondContact O-N 2.69Å |
| 1186 | V | 80.8 | Confident | 83.9 | Confident | 92 Ų | 92 | 58.5 Ų | 58.5 | 56% | 0.558 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59 | -30.2 | -168.1 | -176.9 | 0 | 0 | 0 | 0 | 113.3 | K1190 | V1186-K1190 HydrophobicContact CG1-CD 3.98Å; V1186-K1190 VanDerWaalsContact CG1-CE 3.45Å; V1186-K1190 HydrophobicContact CG1-CG 4.43Å; V1186-K1190 WeakPolarHBondContact O-CB 3.32Å; V1186-K1190 VanDerWaalsContact O-CG 3.24Å; V1186-K1190 WeakPolarHBondContact O-CG 3.04Å; V1186-K1190 PolarHBondContact O-N 3.23Å |
| 1187 | G | 82 | Confident | 83.9 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.1 | -48.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G1185 K1190 A1191 | G1185-G1187 PolarHBondContact O-N 2.83Å; G1185-G1187 VanDerWaalsContact O-N 3.11Å; G1187-K1190 PolarHBondContact O-N 3.37Å; G1187-A1191 WeakPolarHBondContact O-CB 3.26Å; G1187-A1191 PolarHBondContact O-N 3.4Å |
| 1188 | A | 85.5 | Confident | 84.3 | Confident | 30 Ų | 30 | 55.7 Ų | 55.7 | 25% | 0.248 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61 | -46.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | L1182 P1183 G1185 K1190 A1191 E1192 | L1182-A1188 HydrophobicContact CB-CB 4.47Å; P1183-A1188 WeakPolarHBondContact O-CB 3.43Å; P1183-A1188 PolarHBondContact O-N 3.01Å; G1185-A1188 PolarHBondContact O-N 3.43Å; A1188-K1190 VanDerWaalsContact C-N 3.31Å; A1188-K1190 PolarHBondContact O-N 2.8Å; A1188-A1191 PolarHBondContact O-N 2.83Å; A1188-E1192 PolarHBondContact O-N 3.28Å |
| 1189 | D | 87.4 | Confident | 85 | Confident | 93 Ų | 93 | 56 Ų | 56 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 179.1 | -65.1 | -8.3 | 0 | 0 | 0 | 111.9 | G1185 E1192 R1193 | G1185-D1189 PolarHBondContact O-N 2.69Å; D1189-E1192 PolarHBondContact O-N 3.16Å; D1189-R1193 WeakPolarHBondContact O-CG 3.23Å; D1189-R1193 PolarHBondContact O-N 3.2Å; D1189-R1193 VanDerWaalsContact O-N 3.17Å |
| 1190 | K | 87.8 | Confident | 85.5 | Confident | 50 Ų | 50 | 53 Ų | 53 | 22% | 0.217 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 176.4 | -75.6 | 173.9 | 178.9 | 173 | 0 | 111.1 | I1101 N1102 K1105 V1186 G1187 A1188 E1192 R1193 I1194 | I1101-K1190 HydrophobicContact CG2-CB 3.91Å; N1102-K1190 WeakPolarHBondContact OD1-CD 3.28Å; N1102-K1190 WeakPolarHBondContact OD1-CE 3.44Å; N1102-K1190 PolarHBondContact OD1-NZ 3.29Å; K1105-K1190 HydrophobicContact CD-CG 4.35Å; V1186-K1190 HydrophobicContact CG1-CD 3.98Å; V1186-K1190 VanDerWaalsContact CG1-CE 3.45Å; V1186-K1190 HydrophobicContact CG1-CG 4.43Å; V1186-K1190 WeakPolarHBondContact O-CB 3.32Å; V1186-K1190 VanDerWaalsContact O-CG 3.24Å; V1186-K1190 WeakPolarHBondContact O-CG 3.04Å; V1186-K1190 PolarHBondContact O-N 3.23Å; G1187-K1190 PolarHBondContact O-N 3.37Å; A1188-K1190 VanDerWaalsContact C-N 3.31Å; A1188-K1190 PolarHBondContact O-N 2.8Å; K1190-E1192 VanDerWaalsContact C-N 3.3Å; K1190-E1192 PolarHBondContact O-N 3.44Å; K1190-R1193 PolarHBondContact O-N 3.37Å; K1190-I1194 VanDerWaalsContact O-CG1 3.28Å; K1190-I1194 WeakPolarHBondContact O-CG1 3.06Å; K1190-I1194 PolarHBondContact O-N 2.84Å |
| 1191 | A | 88.8 | Confident | 86 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1101 L1175 L1182 G1187 A1188 R1193 I1194 V1195 | I1101-A1191 HydrophobicContact CD1-CB 4.32Å; I1101-A1191 HydrophobicContact CG2-CB 4.15Å; L1175-A1191 HydrophobicContact CD1-CB 4.43Å; L1175-A1191 HydrophobicContact CD2-CB 4.05Å; L1182-A1191 HydrophobicContact CD1-CB 3.85Å; G1187-A1191 WeakPolarHBondContact O-CB 3.26Å; G1187-A1191 PolarHBondContact O-N 3.4Å; A1188-A1191 PolarHBondContact O-N 2.83Å; A1191-R1193 PolarHBondContact O-N 3.3Å; A1191-I1194 PolarHBondContact O-N 3.4Å; A1191-V1195 VanDerWaalsContact O-CG2 3.3Å; A1191-V1195 WeakPolarHBondContact O-CG2 3.31Å; A1191-V1195 PolarHBondContact O-N 3.27Å |
| 1192 | E | 88.4 | Confident | 86.6 | Confident | 114 Ų | 114 | 44.9 Ų | 44.9 | 53% | 0.533 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 176 | -173.9 | 173.1 | -165.4 | 0 | 0 | 112.2 | A1188 D1189 K1190 V1195 S1196 | A1188-E1192 PolarHBondContact O-N 3.28Å; D1189-E1192 PolarHBondContact O-N 3.16Å; K1190-E1192 VanDerWaalsContact C-N 3.3Å; K1190-E1192 PolarHBondContact O-N 3.44Å; E1192-V1195 PolarHBondContact O-N 2.67Å; E1192-S1196 WeakPolarHBondContact O-CB 3.37Å; E1192-S1196 PolarHBondContact O-N 3.37Å |
| 1193 | R | 89.1 | Confident | 87 | Confident | 165 Ų | 165 | 44.1 Ų | 44.1 | 62% | 0.623 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.3 | -44.1 | 174.7 | -68.4 | 178.9 | -169 | -162.5 | 5.8 | 112.4 | D1189 K1190 A1191 V1195 S1196 E1197 | D1189-R1193 WeakPolarHBondContact O-CG 3.23Å; D1189-R1193 PolarHBondContact O-N 3.2Å; D1189-R1193 VanDerWaalsContact O-N 3.17Å; K1190-R1193 PolarHBondContact O-N 3.37Å; A1191-R1193 PolarHBondContact O-N 3.3Å; R1193-V1195 VanDerWaalsContact C-N 3.32Å; R1193-V1195 PolarHBondContact O-N 2.88Å; R1193-S1196 PolarHBondContact O-N 3.15Å; R1193-E1197 PolarHBondContact O-N 2.98Å; R1193-E1197 VanDerWaalsContact O-N 3.12Å |
| 1194 | I | 90.8 | Very high | 87.7 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.3 | -48.6 | 176.6 | -66.8 | 165.9 | 0 | 0 | 0 | 110.1 | I1101 L1104 K1105 Q1108 W1134 V1171 L1175 K1190 A1191 E1197 A1198 | I1101-I1194 HydrophobicContact CG2-CD1 3.77Å; I1101-I1194 WeakPolarHBondContact O-CD1 3.1Å; L1104-I1194 HydrophobicContact CB-CD1 4.37Å; K1105-I1194 HydrophobicContact CB-CD1 3.71Å; K1105-I1194 HydrophobicContact CB-CG1 3.84Å; K1105-I1194 HydrophobicContact CG-CD1 4.45Å; K1105-I1194 HydrophobicContact CG-CG1 4.08Å; Q1108-I1194 PolarHBondContact NE2-O 2.88Å; Q1108-I1194 VanDerWaalsContact NE2-O 3.14Å; W1134-I1194 HydrophobicContact CH2-CG2 3.6Å; W1134-I1194 HydrophobicContact CZ2-CG2 3.66Å; V1171-I1194 HydrophobicContact CG1-CG2 4.29Å; L1175-I1194 HydrophobicContact CD1-CG2 4.36Å; K1190-I1194 VanDerWaalsContact O-CG1 3.28Å; K1190-I1194 WeakPolarHBondContact O-CG1 3.06Å; K1190-I1194 PolarHBondContact O-N 2.84Å; A1191-I1194 PolarHBondContact O-N 3.4Å; I1194-E1197 PolarHBondContact O-N 3.02Å; I1194-A1198 VanDerWaalsContact O-CB 3.28Å; I1194-A1198 WeakPolarHBondContact O-CB 3.42Å; I1194-A1198 PolarHBondContact O-N 2.92Å |
| 1195 | V | 91.5 | Very high | 88.6 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 5% | 0.048 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 179.3 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | L1175 R1176 A1191 E1192 R1193 E1197 A1198 V1199 A1225 | L1175-V1195 HydrophobicContact CB-CG2 4.14Å; L1175-V1195 HydrophobicContact CD1-CG2 3.64Å; R1176-V1195 HydrophobicContact CG-CG2 4.47Å; A1191-V1195 VanDerWaalsContact O-CG2 3.3Å; A1191-V1195 WeakPolarHBondContact O-CG2 3.31Å; A1191-V1195 PolarHBondContact O-N 3.27Å; E1192-V1195 PolarHBondContact O-N 2.67Å; R1193-V1195 VanDerWaalsContact C-N 3.32Å; R1193-V1195 PolarHBondContact O-N 2.88Å; V1195-E1197 PolarHBondContact O-N 2.9Å; V1195-A1198 PolarHBondContact O-N 2.59Å; V1195-V1199 HydrophobicContact CG1-CG2 3.97Å; V1195-V1199 VanDerWaalsContact O-CB 3.3Å; V1195-V1199 WeakPolarHBondContact O-CB 3.46Å; V1195-V1199 WeakPolarHBondContact O-CG2 3.22Å; V1195-V1199 PolarHBondContact O-N 3.03Å; V1195-A1225 HydrophobicContact CG1-CB 4.12Å |
| 1196 | S | 91.2 | Very high | 89 | Confident | 56 Ų | 56 | 42.7 Ų | 42.7 | 39% | 0.392 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.8 | -46.4 | 179.3 | -172.2 | 0 | 0 | 0 | 0 | 112.4 | E1192 R1193 K1200 | E1192-S1196 WeakPolarHBondContact O-CB 3.37Å; E1192-S1196 PolarHBondContact O-N 3.37Å; R1193-S1196 PolarHBondContact O-N 3.15Å; S1196-K1200 WeakPolarHBondContact O-CG 3.41Å; S1196-K1200 PolarHBondContact O-N 3.13Å |
| 1197 | E | 89.6 | Confident | 89.3 | Confident | 46 Ų | 46 | 40.1 Ų | 40.1 | 22% | 0.215 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.1 | -39.8 | 178 | -67.5 | -54.5 | 135.1 | 0 | 0 | 112.5 | F1110 R1193 I1194 V1195 V1199 K1200 F1201 | F1110-E1197 HydrophobicContact CE1-CG 4.35Å; R1193-E1197 PolarHBondContact O-N 2.98Å; R1193-E1197 VanDerWaalsContact O-N 3.12Å; I1194-E1197 PolarHBondContact O-N 3.02Å; V1195-E1197 PolarHBondContact O-N 2.9Å; E1197-V1199 PolarHBondContact O-N 3.12Å; E1197-K1200 WeakPolarHBondContact O-CB 3.19Å; E1197-K1200 PolarHBondContact O-N 2.62Å; E1197-K1200 IonicContact OE1-NZ 2.97Å; E1197-K1200 PolarHBondContact OE1-NZ 3.08Å; E1197-K1200 IonicContact OE2-NZ 3.63Å; E1197-F1201 PolarHBondContact O-N 3.11Å |
| 1198 | A | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.4 | -38 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1134 T1168 I1172 I1194 V1195 F1201 L1202 | W1134-A1198 HydrophobicContact CH2-CB 4.12Å; W1134-A1198 HydrophobicContact CZ3-CB 4.04Å; T1168-A1198 HydrophobicContact CG2-CB 3.84Å; I1172-A1198 HydrophobicContact CD1-CB 3.73Å; I1172-A1198 HydrophobicContact CG1-CB 3.81Å; I1194-A1198 VanDerWaalsContact O-CB 3.28Å; I1194-A1198 WeakPolarHBondContact O-CB 3.42Å; I1194-A1198 PolarHBondContact O-N 2.92Å; V1195-A1198 PolarHBondContact O-N 2.59Å; A1198-F1201 WeakPolarHBondContact O-CB 3.32Å; A1198-F1201 PolarHBondContact O-N 2.84Å; A1198-L1202 WeakPolarHBondContact O-CG 3.41Å; A1198-L1202 PolarHBondContact O-N 2.03Å |
| 1199 | V | 92.5 | Very high | 89.4 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.3 | -42.1 | 173.3 | 167.4 | 0 | 0 | 0 | 0 | 110.6 | I1172 V1195 E1197 F1201 L1202 S1203 L1222 A1225 D1227 | I1172-V1199 HydrophobicContact CD1-CG2 4.04Å; V1195-V1199 HydrophobicContact CG1-CG2 3.97Å; V1195-V1199 VanDerWaalsContact O-CB 3.3Å; V1195-V1199 WeakPolarHBondContact O-CB 3.46Å; V1195-V1199 WeakPolarHBondContact O-CG2 3.22Å; V1195-V1199 PolarHBondContact O-N 3.03Å; E1197-V1199 PolarHBondContact O-N 3.12Å; V1199-F1201 VanDerWaalsContact C-N 3.34Å; V1199-F1201 PolarHBondContact O-N 2.96Å; V1199-L1202 PolarHBondContact O-N 3.08Å; V1199-S1203 WeakPolarHBondContact O-CB 3.49Å; V1199-S1203 PolarHBondContact O-N 3.31Å; V1199-S1203 PolarHBondContact O-OG 2.85Å; V1199-L1222 HydrophobicContact CG1-CD2 3.98Å; V1199-A1225 HydrophobicContact CG2-CB 3.56Å; V1199-D1227 HydrophobicContact CG1-CB 3.88Å; V1199-D1227 WeakPolarHBondContact CG1-OD2 3.1Å |
| 1200 | K | 90.3 | Very high | 89.2 | Confident | 85 Ų | 85 | 40.9 Ų | 40.9 | 37% | 0.37 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -57.7 | -47.3 | 173.7 | -72.4 | 171.5 | -169.3 | 171.1 | 0 | 111 | S1196 E1197 S1203 R1204 | S1196-K1200 WeakPolarHBondContact O-CG 3.41Å; S1196-K1200 PolarHBondContact O-N 3.13Å; E1197-K1200 WeakPolarHBondContact O-CB 3.19Å; E1197-K1200 PolarHBondContact O-N 2.62Å; E1197-K1200 IonicContact OE1-NZ 2.97Å; E1197-K1200 PolarHBondContact OE1-NZ 3.08Å; E1197-K1200 IonicContact OE2-NZ 3.63Å; K1200-S1203 PolarHBondContact O-N 2.98Å; K1200-S1203 PolarHBondContact O-OG 2.81Å; K1200-R1204 VanDerWaalsContact O-CG 3.32Å; K1200-R1204 WeakPolarHBondContact O-CG 3.4Å; K1200-R1204 PolarHBondContact O-N 2.66Å |
| 1201 | F | 91.9 | Very high | 89 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.4 | -54.8 | 175.9 | 174.2 | -96.4 | 0 | 0 | 0 | 112.2 | R1129 C1161 R1164 I1165 T1168 E1197 A1198 V1199 S1203 R1204 H1205 | R1129-F1201 VanDerWaalsContact O-CD2 3.31Å; R1129-F1201 WeakPolarHBondContact O-CD2 3.14Å; R1129-F1201 VanDerWaalsContact O-CE2 3.27Å; R1129-F1201 WeakPolarHBondContact O-CE2 3.3Å; C1161-F1201 HydrophobicContact CB-CE2 4.45Å; C1161-F1201 HydrophobicContact CB-CZ 4.46Å; R1164-F1201 HydrophobicContact CB-CZ 4.33Å; I1165-F1201 HydrophobicContact CG1-CE1 3.78Å; I1165-F1201 HydrophobicContact CG1-CZ 4.23Å; T1168-F1201 HydrophobicContact CG2-CD1 3.75Å; T1168-F1201 HydrophobicContact CG2-CE1 4.28Å; E1197-F1201 PolarHBondContact O-N 3.11Å; A1198-F1201 WeakPolarHBondContact O-CB 3.32Å; A1198-F1201 PolarHBondContact O-N 2.84Å; V1199-F1201 VanDerWaalsContact C-N 3.34Å; V1199-F1201 PolarHBondContact O-N 2.96Å; F1201-S1203 VanDerWaalsContact C-N 3.32Å; F1201-S1203 PolarHBondContact O-N 2.85Å; F1201-R1204 PolarHBondContact O-N 2.74Å; F1201-R1204 VanDerWaalsContact O-N 3.15Å; F1201-H1205 AromaticContact CD2-CD2 3.76Å; F1201-H1205 AromaticContact CE2-CD2 3.53Å; F1201-H1205 AromaticContact CE2-NE2 3.89Å; F1201-H1205 AromaticContact CZ-CD2 4Å; F1201-H1205 PolarHBondContact O-CD2 3.31Å; F1201-H1205 PolarHBondContact O-N 3.08Å |
| 1202 | L | 91.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.2 | -43.4 | -179.6 | -72.5 | -172.8 | 0 | 0 | 0 | 111.6 | I1165 T1168 A1169 I1172 A1198 V1199 R1204 H1205 I1206 A1221 L1222 | I1165-L1202 HydrophobicContact CB-CD2 4.29Å; I1165-L1202 HydrophobicContact CG1-CD2 4.21Å; I1165-L1202 HydrophobicContact CG2-CD2 3.76Å; T1168-L1202 HydrophobicContact CG2-CD2 4.34Å; T1168-L1202 HydrophobicContact CG2-CG 4.28Å; A1169-L1202 HydrophobicContact CB-CD1 4.17Å; I1172-L1202 HydrophobicContact CD1-CD1 3.47Å; I1172-L1202 VanDerWaalsContact CD1-CD1 3.47Å; I1172-L1202 HydrophobicContact CD1-CG 4.26Å; A1198-L1202 WeakPolarHBondContact O-CG 3.41Å; A1198-L1202 PolarHBondContact O-N 2.03Å; V1199-L1202 PolarHBondContact O-N 3.08Å; L1202-R1204 PolarHBondContact O-N 2.81Å; L1202-H1205 PolarHBondContact O-N 3.11Å; L1202-I1206 VanDerWaalsContact O-CB 3.23Å; L1202-I1206 WeakPolarHBondContact O-CB 3.08Å; L1202-I1206 PolarHBondContact O-N 3.25Å; L1202-A1221 HydrophobicContact CD1-CB 3.92Å; L1202-L1222 HydrophobicContact CB-CD1 4.39Å; L1202-L1222 HydrophobicContact CB-CD2 3.82Å; L1202-L1222 HydrophobicContact CB-CG 4.08Å; L1202-L1222 HydrophobicContact CD1-CD2 4.49Å; L1202-L1222 HydrophobicContact CD1-CG 4.36Å |
| 1203 | S | 89.7 | Confident | 89.2 | Confident | 17 Ų | 17 | 34.9 Ų | 34.9 | 12% | 0.119 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.6 | -28.3 | -179.3 | 84 | 0 | 0 | 0 | 0 | 112.6 | V1199 K1200 F1201 S1230 K1233 | V1199-S1203 WeakPolarHBondContact O-CB 3.49Å; V1199-S1203 PolarHBondContact O-N 3.31Å; V1199-S1203 PolarHBondContact O-OG 2.85Å; K1200-S1203 PolarHBondContact O-N 2.98Å; K1200-S1203 PolarHBondContact O-OG 2.81Å; F1201-S1203 VanDerWaalsContact C-N 3.32Å; F1201-S1203 PolarHBondContact O-N 2.85Å; S1203-S1230 WeakPolarHBondContact CB-OG 3.43Å; S1203-K1233 VanDerWaalsContact O-CD 3.23Å; S1203-K1233 WeakPolarHBondContact O-CD 3.37Å; S1203-K1233 VanDerWaalsContact O-CE 3.31Å; S1203-K1233 WeakPolarHBondContact O-CE 3.47Å; S1203-K1233 PolarHBondContact O-NZ 3.3Å; S1203-K1233 PolarHBondContact OG-NZ 3.03Å |
| 1204 | R | 88.5 | Confident | 89.3 | Confident | 111 Ų | 111 | 27 Ų | 27 | 42% | 0.419 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -74.5 | -39.2 | 177.6 | -71.8 | 170.1 | -171.8 | 169.7 | 2.9 | 111.5 | I1128 K1200 F1201 L1202 | I1128-R1204 PolarHBondContact O-NH1 2.83Å; K1200-R1204 VanDerWaalsContact O-CG 3.32Å; K1200-R1204 WeakPolarHBondContact O-CG 3.4Å; K1200-R1204 PolarHBondContact O-N 2.66Å; F1201-R1204 PolarHBondContact O-N 2.74Å; F1201-R1204 VanDerWaalsContact O-N 3.15Å; L1202-R1204 PolarHBondContact O-N 2.81Å |
| 1205 | H | 89.6 | Confident | 89.4 | Confident | 11 Ų | 11 | 27.2 Ų | 27.2 | 5% | 0.051 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -105.5 | -14.5 | -168 | -64 | -63.1 | 0 | 0 | 0 | 115.2 | R1129 C1161 I1165 F1201 L1202 L1207 N1208 I1209 | R1129-H1205 PolarHBondContact O-NE2 3.05Å; C1161-H1205 VanDerWaalsContact SG-CE1 3.57Å; C1161-H1205 PolarHBondContact SG-NE2 2.98Å; C1161-H1205 VanDerWaalsContact SG-NE2 3.45Å; I1165-H1205 HydrophobicContact CD1-CB 3.82Å; F1201-H1205 AromaticContact CD2-CD2 3.76Å; F1201-H1205 AromaticContact CE2-CD2 3.53Å; F1201-H1205 AromaticContact CE2-NE2 3.89Å; F1201-H1205 AromaticContact CZ-CD2 4Å; F1201-H1205 PolarHBondContact O-CD2 3.31Å; F1201-H1205 PolarHBondContact O-N 3.08Å; L1202-H1205 PolarHBondContact O-N 3.11Å; H1205-L1207 PolarHBondContact O-N 3.45Å; H1205-N1208 PolarHBondContact O-N 2.93Å; H1205-I1209 WeakPolarHBondContact O-CG1 3.4Å |
| 1206 | I | 89.2 | Confident | 89.4 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -56.1 | -30.7 | -173.8 | -167 | 64.5 | 0 | 0 | 0 | 114.3 | L1202 I1209 L1222 K1233 A1237 | L1202-I1206 VanDerWaalsContact O-CB 3.23Å; L1202-I1206 WeakPolarHBondContact O-CB 3.08Å; L1202-I1206 PolarHBondContact O-N 3.25Å; I1206-I1209 HydrophobicContact CD1-CD1 3.91Å; I1206-L1222 HydrophobicContact CB-CD1 4.19Å; I1206-L1222 HydrophobicContact CG1-CD1 4.13Å; I1206-L1222 HydrophobicContact CG2-CD1 4.09Å; I1206-K1233 HydrophobicContact CG2-CB 4.24Å; I1206-A1237 HydrophobicContact CG1-CB 4.26Å |
| 1207 | L | 88 | Confident | 89.5 | Confident | 39 Ų | 39 | 24.2 Ų | 24.2 | 20% | 0.204 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -87.8 | -1.3 | 179 | -59 | -173.6 | 0 | 0 | 0 | 113.7 | H1205 K1233 H1236 A1237 R1240 | H1205-L1207 PolarHBondContact O-N 3.45Å; L1207-K1233 HydrophobicContact CD1-CG 4.44Å; L1207-H1236 HydrophobicContact CD2-CB 4.04Å; L1207-H1236 WeakPolarHBondContact CD2-ND1 3.46Å; L1207-A1237 HydrophobicContact CD2-CB 4.35Å; L1207-R1240 PolarHBondContact O-NH1 3.21Å; L1207-R1240 PolarHBondContact O-NH2 2.83Å |
| 1208 | N | 85.8 | Confident | 89.7 | Confident | 74 Ų | 74 | 22 Ų | 22 | 40% | 0.396 | 11% | 0.106 | S | C | . | . | G | 310 helix | trans | -108.5 | 7 | 179.6 | -69.4 | -9.4 | 0 | 0 | 0 | 113 | W1153 H1162 H1205 | W1153-N1208 HydrophobicContact CH2-CB 3.86Å; W1153-N1208 HydrophobicContact CZ2-CB 4.36Å; W1153-N1208 WeakPolarHBondContact CZ2-O 3.31Å; H1162-N1208 PolarHBondContact CE1-O 3.11Å; H1162-N1208 PolarHBondContact NE2-O 3.45Å; H1205-N1208 PolarHBondContact O-N 2.93Å |
| 1209 | I | 83.1 | Confident | 89.7 | Confident | 6 Ų | 6 | 22 Ų | 22 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | trans | -87 | 141.8 | -176.2 | -48.8 | 177.6 | 0 | 0 | 0 | 112 | I1165 H1205 I1206 D1211 | I1165-I1209 HydrophobicContact CB-CD1 4.3Å; I1165-I1209 HydrophobicContact CD1-CD1 3.34Å; I1165-I1209 HydrophobicContact CD1-CG1 3.55Å; I1165-I1209 HydrophobicContact CG1-CD1 4.26Å; I1165-I1209 HydrophobicContact CG2-CD1 3.71Å; H1205-I1209 WeakPolarHBondContact O-CG1 3.4Å; I1206-I1209 HydrophobicContact CD1-CD1 3.91Å; I1209-D1211 HydrophobicContact CG2-CB 4.47Å; I1209-D1211 WeakPolarHBondContact CG2-O 3.42Å | ||
| 1210 | D | 82.7 | Confident | 89.8 | Confident | 60 Ų | 60 | 21.5 Ų | 21.5 | 32% | 0.321 | 10% | 0.103 | S | C | . | . | trans | -99.3 | -32.7 | 173.4 | -65.3 | -35.8 | 0 | 0 | 0 | 114 | K1152 W1153 | K1152-D1210 WeakPolarHBondContact CD-OD2 2.92Å; K1152-D1210 IonicContact NZ-OD1 3.73Å; K1152-D1210 PolarHBondContact NZ-OD1 2.78Å; K1152-D1210 IonicContact NZ-OD2 3.58Å; W1153-D1210 PolarHBondContact NE1-OD2 2.98Å | ||
| 1211 | D | 85.5 | Confident | 89.9 | Confident | 37 Ų | 37 | 17.4 Ų | 17.4 | 20% | 0.198 | 9% | 0.085 | C | C | . | . | trans | -75.2 | 131.8 | -180 | 171.6 | 56.3 | 0 | 0 | 0 | 112.3 | P1146 I1209 F1213 S1214 Q1215 Y1284 | P1146-D1211 HydrophobicContact CB-CB 3.78Å; I1209-D1211 HydrophobicContact CG2-CB 4.47Å; I1209-D1211 WeakPolarHBondContact CG2-O 3.42Å; D1211-F1213 PolarHBondContact OD2-N 3.4Å; D1211-S1214 VanDerWaalsContact OD2-CB 3.28Å; D1211-S1214 WeakPolarHBondContact OD2-CB 3.36Å; D1211-S1214 PolarHBondContact OD2-N 3.49Å; D1211-S1214 PolarHBondContact OD2-OG 2.95Å; D1211-Q1215 WeakPolarHBondContact O-CB 3.43Å; D1211-Q1215 PolarHBondContact O-N 3.32Å; D1211-Q1215 VanDerWaalsContact O-N 3.1Å; D1211-Y1284 PolarHBondContact OD1-OH 3.19Å | ||
| 1212 | L | 90.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.1 | -47.8 | -177.6 | 175.5 | 62 | 0 | 0 | 0 | 111.7 | S1214 Q1215 M1216 I1241 F1244 A1254 Y1284 | L1212-S1214 PolarHBondContact O-N 2.75Å; L1212-Q1215 PolarHBondContact O-N 2.96Å; L1212-M1216 HydrophobicContact CD1-CE 3.93Å; L1212-M1216 HydrophobicContact CD1-CG 3.99Å; L1212-M1216 HydrophobicContact CD1-SD 3.98Å; L1212-M1216 HydrophobicContact CG-CE 4.36Å; L1212-M1216 HydrophobicContact CG-CG 4.38Å; L1212-M1216 HydrophobicContact CG-SD 3.98Å; L1212-M1216 WeakPolarHBondContact O-CB 3.47Å; L1212-M1216 WeakPolarHBondContact O-CG 3.39Å; L1212-M1216 PolarHBondContact O-N 3.11Å; L1212-I1241 HydrophobicContact CD1-CG2 4.39Å; L1212-F1244 HydrophobicContact CB-CD1 4.49Å; L1212-F1244 HydrophobicContact CB-CG 4.45Å; L1212-F1244 HydrophobicContact CD1-CB 3.72Å; L1212-F1244 HydrophobicContact CD1-CD2 3.63Å; L1212-F1244 HydrophobicContact CD1-CE2 4.34Å; L1212-F1244 HydrophobicContact CD1-CG 3.73Å; L1212-F1244 HydrophobicContact CD2-CB 3.75Å; L1212-F1244 HydrophobicContact CD2-CD1 4.28Å; L1212-F1244 HydrophobicContact CD2-CG 4.04Å; L1212-F1244 HydrophobicContact CG-CB 4.32Å; L1212-F1244 HydrophobicContact CG-CG 4.29Å; L1212-A1254 VanDerWaalsContact CD2-C 3.46Å; L1212-Y1284 HydrophobicContact CD2-CE1 4.41Å |
| 1213 | F | 91.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.9 | -48.5 | -178.1 | 170.9 | -107.8 | 0 | 0 | 0 | 111 | R1143 F1144 P1166 D1211 Q1215 M1216 I1217 Y1284 L1287 I1291 | R1143-F1213 HydrophobicContact CB-CD1 4.02Å; R1143-F1213 HydrophobicContact CB-CE1 3.88Å; R1143-F1213 HydrophobicContact CB-CZ 4.33Å; R1143-F1213 WeakPolarHBondContact O-CD1 3.48Å; R1143-F1213 WeakPolarHBondContact O-CE1 3.14Å; F1144-F1213 HydrophobicContact CE1-CZ 4.49Å; F1144-F1213 HydrophobicContact CE2-CZ 4.36Å; F1144-F1213 HydrophobicContact CZ-CZ 4.23Å; P1166-F1213 HydrophobicContact CB-CD1 4.45Å; P1166-F1213 HydrophobicContact CB-CE1 3.87Å; P1166-F1213 HydrophobicContact CG-CD1 4.36Å; P1166-F1213 HydrophobicContact CG-CE1 4.27Å; D1211-F1213 PolarHBondContact OD2-N 3.4Å; F1213-Q1215 VanDerWaalsContact C-N 3.3Å; F1213-Q1215 PolarHBondContact O-N 2.85Å; F1213-M1216 PolarHBondContact O-N 3.17Å; F1213-M1216 VanDerWaalsContact O-N 3.15Å; F1213-I1217 HydrophobicContact CE1-CG2 4.45Å; F1213-I1217 HydrophobicContact CE2-CB 4.39Å; F1213-I1217 HydrophobicContact CE2-CD1 4.28Å; F1213-I1217 HydrophobicContact CZ-CB 4.48Å; F1213-I1217 HydrophobicContact CZ-CD1 3.83Å; F1213-I1217 HydrophobicContact CZ-CG2 4.47Å; F1213-I1217 VanDerWaalsContact O-CG2 3.27Å; F1213-I1217 WeakPolarHBondContact O-CG2 3.43Å; F1213-I1217 PolarHBondContact O-N 2.72Å; F1213-Y1284 HydrophobicContact CB-CE2 3.72Å; F1213-Y1284 WeakPolarHBondContact CB-OH 3.25Å; F1213-Y1284 PolarHBondContact N-OH 3.43Å; F1213-Y1284 VanDerWaalsContact N-OH 3.1Å; F1213-L1287 HydrophobicContact CD2-CD2 3.94Å; F1213-L1287 HydrophobicContact CD2-CG 4.38Å; F1213-L1287 HydrophobicContact CE2-CD2 3.34Å; F1213-L1287 HydrophobicContact CE2-CG 3.92Å; F1213-L1287 HydrophobicContact CZ-CD2 4.03Å; F1213-I1291 HydrophobicContact CD2-CD1 4.2Å; F1213-I1291 HydrophobicContact CE2-CD1 3.76Å |
| 1214 | S | 91.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.1 | -40.3 | 177.1 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | P1146 P1166 D1211 L1212 G1218 | P1146-S1214 WeakPolarHBondContact CG-OG 3.38Å; P1166-S1214 VanDerWaalsContact CG-OG 3.23Å; P1166-S1214 WeakPolarHBondContact CG-OG 3.46Å; D1211-S1214 VanDerWaalsContact OD2-CB 3.28Å; D1211-S1214 WeakPolarHBondContact OD2-CB 3.36Å; D1211-S1214 PolarHBondContact OD2-N 3.49Å; D1211-S1214 PolarHBondContact OD2-OG 2.95Å; L1212-S1214 PolarHBondContact O-N 2.75Å; S1214-G1218 PolarHBondContact O-N 3.36Å; S1214-G1218 VanDerWaalsContact O-N 3.11Å |
| 1215 | Q | 91.5 | Very high | 89.9 | Confident | 5 Ų | 5 | 16 Ų | 16 | 2% | 0.023 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69.6 | -41.6 | 175.5 | -173 | 166.8 | 66.9 | 0 | 0 | 112.3 | D1211 L1212 F1213 T1219 A1237 I1241 | D1211-Q1215 WeakPolarHBondContact O-CB 3.43Å; D1211-Q1215 PolarHBondContact O-N 3.32Å; D1211-Q1215 VanDerWaalsContact O-N 3.1Å; L1212-Q1215 PolarHBondContact O-N 2.96Å; F1213-Q1215 VanDerWaalsContact C-N 3.3Å; F1213-Q1215 PolarHBondContact O-N 2.85Å; Q1215-T1219 VanDerWaalsContact O-CB 3.27Å; Q1215-T1219 WeakPolarHBondContact O-CB 3.12Å; Q1215-T1219 PolarHBondContact O-N 3.06Å; Q1215-T1219 PolarHBondContact O-OG1 2.93Å; Q1215-A1237 HydrophobicContact CG-CB 4.46Å; Q1215-I1241 HydrophobicContact CG-CD1 4.14Å; Q1215-I1241 HydrophobicContact CG-CG1 3.88Å |
| 1216 | M | 93.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.1 | -52.8 | 179.2 | -76.9 | -176.9 | 151.9 | 0 | 0 | 112.3 | L1212 F1213 G1218 T1219 Y1220 I1241 Y1253 C1288 I1291 Y1292 | L1212-M1216 HydrophobicContact CD1-CE 3.93Å; L1212-M1216 HydrophobicContact CD1-CG 3.99Å; L1212-M1216 HydrophobicContact CD1-SD 3.98Å; L1212-M1216 HydrophobicContact CG-CE 4.36Å; L1212-M1216 HydrophobicContact CG-CG 4.38Å; L1212-M1216 HydrophobicContact CG-SD 3.98Å; L1212-M1216 WeakPolarHBondContact O-CB 3.47Å; L1212-M1216 WeakPolarHBondContact O-CG 3.39Å; L1212-M1216 PolarHBondContact O-N 3.11Å; F1213-M1216 PolarHBondContact O-N 3.17Å; F1213-M1216 VanDerWaalsContact O-N 3.15Å; M1216-G1218 VanDerWaalsContact C-N 3.33Å; M1216-G1218 PolarHBondContact O-N 2.91Å; M1216-T1219 PolarHBondContact O-N 3.21Å; M1216-Y1220 WeakPolarHBondContact O-CB 3.5Å; M1216-Y1220 PolarHBondContact O-N 3.31Å; M1216-I1241 HydrophobicContact CE-CG2 3.41Å; M1216-I1241 VanDerWaalsContact CE-CG2 3.41Å; M1216-I1241 HydrophobicContact CG-CD1 4.01Å; M1216-I1241 HydrophobicContact CG-CG1 4.09Å; M1216-I1241 HydrophobicContact CG-CG2 4.06Å; M1216-Y1253 HydrophobicContact CE-CD1 3.51Å; M1216-Y1253 HydrophobicContact CE-CD2 4.25Å; M1216-Y1253 HydrophobicContact CE-CE1 4.38Å; M1216-Y1253 HydrophobicContact CE-CG 3.43Å; M1216-Y1253 VanDerWaalsContact CE-CG 3.43Å; M1216-C1288 HydrophobicContact CE-CB 4.36Å; M1216-C1288 HydrophobicContact SD-CB 3.51Å; M1216-C1288 VanDerWaalsContact SD-CB 3.51Å; M1216-I1291 HydrophobicContact CB-CG2 4.06Å; M1216-Y1292 HydrophobicContact CE-CD2 4.25Å; M1216-Y1292 HydrophobicContact CE-CG 4.37Å |
| 1217 | I | 93.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.2 | -39.8 | -179.4 | -162.8 | 174.3 | 0 | 0 | 0 | 111.1 | F1144 P1166 A1169 I1173 F1213 Y1220 A1221 I1291 | F1144-I1217 HydrophobicContact CE1-CD1 4.3Å; P1166-I1217 HydrophobicContact CB-CG2 4.25Å; A1169-I1217 HydrophobicContact CB-CB 4.4Å; A1169-I1217 HydrophobicContact CB-CD1 4.47Å; A1169-I1217 HydrophobicContact CB-CG1 3.94Å; A1169-I1217 HydrophobicContact CB-CG2 3.98Å; I1173-I1217 HydrophobicContact CD1-CD1 4.1Å; I1173-I1217 HydrophobicContact CD1-CG1 3.52Å; F1213-I1217 HydrophobicContact CE1-CG2 4.45Å; F1213-I1217 HydrophobicContact CE2-CB 4.39Å; F1213-I1217 HydrophobicContact CE2-CD1 4.28Å; F1213-I1217 HydrophobicContact CZ-CB 4.48Å; F1213-I1217 HydrophobicContact CZ-CD1 3.83Å; F1213-I1217 HydrophobicContact CZ-CG2 4.47Å; F1213-I1217 VanDerWaalsContact O-CG2 3.27Å; F1213-I1217 WeakPolarHBondContact O-CG2 3.43Å; F1213-I1217 PolarHBondContact O-N 2.72Å; I1217-Y1220 PolarHBondContact O-N 2.75Å; I1217-A1221 VanDerWaalsContact O-CB 3.32Å; I1217-A1221 WeakPolarHBondContact O-CB 3.21Å; I1217-A1221 PolarHBondContact O-N 2.86Å; I1217-I1291 HydrophobicContact CB-CD1 4.28Å; I1217-I1291 HydrophobicContact CG1-CD1 4.45Å |
| 1218 | G | 93 | Very high | 87.7 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1214 M1216 A1221 L1222 | S1214-G1218 PolarHBondContact O-N 3.36Å; S1214-G1218 VanDerWaalsContact O-N 3.11Å; M1216-G1218 VanDerWaalsContact C-N 3.33Å; M1216-G1218 PolarHBondContact O-N 2.91Å; G1218-A1221 PolarHBondContact O-N 2.71Å; G1218-L1222 WeakPolarHBondContact O-CG 3.39Å; G1218-L1222 PolarHBondContact O-N 3.27Å |
| 1219 | T | 93 | Very high | 87.3 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69 | -40.2 | 177.3 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | Q1215 M1216 L1222 K1223 I1234 A1237 I1241 L1295 | Q1215-T1219 VanDerWaalsContact O-CB 3.27Å; Q1215-T1219 WeakPolarHBondContact O-CB 3.12Å; Q1215-T1219 PolarHBondContact O-N 3.06Å; Q1215-T1219 PolarHBondContact O-OG1 2.93Å; M1216-T1219 PolarHBondContact O-N 3.21Å; T1219-L1222 PolarHBondContact O-N 3.18Å; T1219-K1223 PolarHBondContact O-N 3.02Å; T1219-K1223 VanDerWaalsContact O-N 3.09Å; T1219-I1234 HydrophobicContact CG2-CB 4.41Å; T1219-I1234 HydrophobicContact CG2-CG1 4.46Å; T1219-I1234 HydrophobicContact CG2-CG2 3.89Å; T1219-A1237 HydrophobicContact CG2-CB 4.15Å; T1219-A1237 VanDerWaalsContact OG1-CB 3.31Å; T1219-A1237 WeakPolarHBondContact OG1-CB 3.37Å; T1219-I1241 HydrophobicContact CG2-CD1 4.5Å; T1219-L1295 HydrophobicContact CG2-CD1 4.19Å; T1219-L1295 HydrophobicContact CG2-CD2 3.81Å |
| 1220 | Y | 93 | Very high | 87.3 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62 | -47.1 | 173.5 | 179.7 | -120.3 | 0 | 0 | 0 | 111.9 | I1173 M1216 I1217 L1222 K1223 V1224 I1291 L1294 L1295 E1298 F1334 | I1173-Y1220 HydrophobicContact CD1-CD1 3.63Å; I1173-Y1220 HydrophobicContact CD1-CE1 4.1Å; I1173-Y1220 HydrophobicContact CG1-CD1 3.86Å; I1173-Y1220 HydrophobicContact CG1-CE1 4.01Å; I1173-Y1220 HydrophobicContact CG2-CE1 4.18Å; M1216-Y1220 WeakPolarHBondContact O-CB 3.5Å; M1216-Y1220 PolarHBondContact O-N 3.31Å; I1217-Y1220 PolarHBondContact O-N 2.75Å; Y1220-L1222 PolarHBondContact O-N 3.07Å; Y1220-K1223 PolarHBondContact O-N 3.08Å; Y1220-K1223 VanDerWaalsContact O-N 3.16Å; Y1220-V1224 HydrophobicContact CD1-CG2 4.44Å; Y1220-V1224 HydrophobicContact CD2-CG2 3.89Å; Y1220-V1224 HydrophobicContact CE1-CG2 4.05Å; Y1220-V1224 HydrophobicContact CE2-CG2 3.44Å; Y1220-V1224 VanDerWaalsContact CE2-CG2 3.44Å; Y1220-V1224 HydrophobicContact CG-CG2 4.37Å; Y1220-V1224 WeakPolarHBondContact O-CG2 3.47Å; Y1220-V1224 PolarHBondContact O-N 3.01Å; Y1220-I1291 HydrophobicContact CD1-CG2 4.42Å; Y1220-I1291 HydrophobicContact CG-CG2 4.17Å; Y1220-L1294 HydrophobicContact CD2-CB 4.26Å; Y1220-L1294 HydrophobicContact CE2-CB 3.62Å; Y1220-L1295 HydrophobicContact CD2-CB 4.07Å; Y1220-E1298 HydrophobicContact CE2-CG 3.91Å; Y1220-F1334 HydrophobicContact CE1-CE1 4.4Å |
| 1221 | A | 93.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1169 I1172 I1173 L1202 I1217 G1218 K1223 V1224 A1225 | A1169-A1221 HydrophobicContact CB-CB 3.72Å; I1172-A1221 HydrophobicContact CB-CB 4.1Å; I1172-A1221 HydrophobicContact CD1-CB 4.44Å; I1172-A1221 HydrophobicContact CG2-CB 4.06Å; I1172-A1221 WeakPolarHBondContact CG2-O 3.13Å; I1173-A1221 HydrophobicContact CD1-CB 4.3Å; I1173-A1221 HydrophobicContact CG1-CB 4Å; L1202-A1221 HydrophobicContact CD1-CB 3.92Å; I1217-A1221 VanDerWaalsContact O-CB 3.32Å; I1217-A1221 WeakPolarHBondContact O-CB 3.21Å; I1217-A1221 PolarHBondContact O-N 2.86Å; G1218-A1221 PolarHBondContact O-N 2.71Å; A1221-K1223 VanDerWaalsContact C-N 3.32Å; A1221-K1223 PolarHBondContact O-N 2.82Å; A1221-V1224 PolarHBondContact O-N 2.76Å; A1221-A1225 WeakPolarHBondContact O-CB 3.08Å; A1221-A1225 PolarHBondContact O-N 2.84Å |
| 1222 | L | 92.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -39.3 | 175.7 | -75.5 | 174.8 | 0 | 0 | 0 | 112.5 | V1199 L1202 I1206 G1218 T1219 Y1220 I1234 | V1199-L1222 HydrophobicContact CG1-CD2 3.98Å; L1202-L1222 HydrophobicContact CB-CD1 4.39Å; L1202-L1222 HydrophobicContact CB-CD2 3.82Å; L1202-L1222 HydrophobicContact CB-CG 4.08Å; L1202-L1222 HydrophobicContact CD1-CD2 4.49Å; L1202-L1222 HydrophobicContact CD1-CG 4.36Å; I1206-L1222 HydrophobicContact CB-CD1 4.19Å; I1206-L1222 HydrophobicContact CG1-CD1 4.13Å; I1206-L1222 HydrophobicContact CG2-CD1 4.09Å; G1218-L1222 WeakPolarHBondContact O-CG 3.39Å; G1218-L1222 PolarHBondContact O-N 3.27Å; T1219-L1222 PolarHBondContact O-N 3.18Å; Y1220-L1222 PolarHBondContact O-N 3.07Å; L1222-I1234 HydrophobicContact CB-CD1 4.19Å; L1222-I1234 HydrophobicContact CB-CG1 4.19Å |
| 1223 | K | 91.3 | Very high | 87.5 | Confident | 63 Ų | 63 | 37.6 Ų | 37.6 | 27% | 0.274 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.6 | -44.7 | 177.3 | 173.9 | 56.1 | -176.1 | 173.9 | 0 | 111.8 | T1219 Y1220 A1221 A1225 V1226 I1234 L1295 E1298 L1299 | T1219-K1223 PolarHBondContact O-N 3.02Å; T1219-K1223 VanDerWaalsContact O-N 3.09Å; Y1220-K1223 PolarHBondContact O-N 3.08Å; Y1220-K1223 VanDerWaalsContact O-N 3.16Å; A1221-K1223 VanDerWaalsContact C-N 3.32Å; A1221-K1223 PolarHBondContact O-N 2.82Å; K1223-A1225 VanDerWaalsContact C-N 3.28Å; K1223-A1225 PolarHBondContact O-N 3.19Å; K1223-V1226 PolarHBondContact O-N 2.87Å; K1223-V1226 VanDerWaalsContact O-N 3.13Å; K1223-I1234 HydrophobicContact CB-CD1 4.35Å; K1223-L1295 HydrophobicContact CB-CD1 3.8Å; K1223-L1295 HydrophobicContact CG-CD1 4.08Å; K1223-E1298 WeakPolarHBondContact CE-O 3.41Å; K1223-E1298 HydrophobicContact CG-CB 4.03Å; K1223-E1298 PolarHBondContact NZ-O 3.25Å; K1223-E1298 VanDerWaalsContact NZ-O 3.1Å; K1223-L1299 HydrophobicContact CD-CD2 3.79Å; K1223-L1299 HydrophobicContact CD-CG 4.32Å; K1223-L1299 HydrophobicContact CG-CD2 4.36Å; K1223-L1299 HydrophobicContact CG-CG 4.46Å |
| 1224 | V | 89.6 | Confident | 87.4 | Confident | 16 Ų | 16 | 38.1 Ų | 38.1 | 10% | 0.097 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.2 | -29.6 | 179.4 | 172.3 | 0 | 0 | 0 | 0 | 111.9 | R1176 Y1220 A1221 V1226 E1298 | R1176-V1224 HydrophobicContact CB-CG1 3.54Å; Y1220-V1224 HydrophobicContact CD1-CG2 4.44Å; Y1220-V1224 HydrophobicContact CD2-CG2 3.89Å; Y1220-V1224 HydrophobicContact CE1-CG2 4.05Å; Y1220-V1224 HydrophobicContact CE2-CG2 3.44Å; Y1220-V1224 VanDerWaalsContact CE2-CG2 3.44Å; Y1220-V1224 HydrophobicContact CG-CG2 4.37Å; Y1220-V1224 WeakPolarHBondContact O-CG2 3.47Å; Y1220-V1224 PolarHBondContact O-N 3.01Å; A1221-V1224 PolarHBondContact O-N 2.76Å; V1224-V1226 PolarHBondContact O-N 3.06Å; V1224-E1298 HydrophobicContact CG2-CG 4.46Å |
| 1225 | A | 87.1 | Confident | 87.3 | Confident | 18 Ų | 18 | 40.5 Ų | 40.5 | 15% | 0.149 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -4.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | I1172 V1195 V1199 A1221 K1223 D1227 | I1172-A1225 HydrophobicContact CG2-CB 3.87Å; V1195-A1225 HydrophobicContact CG1-CB 4.12Å; V1199-A1225 HydrophobicContact CG2-CB 3.56Å; A1221-A1225 WeakPolarHBondContact O-CB 3.08Å; A1221-A1225 PolarHBondContact O-N 2.84Å; K1223-A1225 VanDerWaalsContact C-N 3.28Å; K1223-A1225 PolarHBondContact O-N 3.19Å; A1225-D1227 VanDerWaalsContact C-N 3.27Å; A1225-D1227 PolarHBondContact O-N 3.26Å |
| 1226 | V | 75.3 | Confident | 87.3 | Confident | 126 Ų | 126 | 43.4 Ų | 43.4 | 76% | 0.764 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 39.6 | -179.5 | -160.3 | 0 | 0 | 0 | 0 | 112.9 | K1223 V1224 A1228 | K1223-V1226 PolarHBondContact O-N 2.87Å; K1223-V1226 VanDerWaalsContact O-N 3.13Å; V1224-V1226 PolarHBondContact O-N 3.06Å; V1226-A1228 PolarHBondContact O-N 2.82Å |
| 1227 | D | 72.1 | Confident | 87.2 | Confident | 33 Ų | 33 | 43.4 Ų | 43.4 | 18% | 0.176 | 24% | 0.24 | C | C | . | . | trans | -81.1 | 102 | 175.9 | 179.9 | 21.9 | 0 | 0 | 0 | 111 | V1199 A1225 T1229 S1230 | V1199-D1227 HydrophobicContact CG1-CB 3.88Å; V1199-D1227 WeakPolarHBondContact CG1-OD2 3.1Å; A1225-D1227 VanDerWaalsContact C-N 3.27Å; A1225-D1227 PolarHBondContact O-N 3.26Å; D1227-T1229 PolarHBondContact O-N 2.87Å; D1227-T1229 WeakPolarHBondContact OD1-CB 3.29Å; D1227-T1229 PolarHBondContact OD1-N 3.25Å; D1227-T1229 PolarHBondContact OD1-OG1 3.01Å; D1227-T1229 PolarHBondContact OD2-OG1 3.07Å; D1227-S1230 PolarHBondContact O-N 2.88Å; D1227-S1230 WeakPolarHBondContact OD2-CB 3.4Å; D1227-S1230 PolarHBondContact OD2-N 3.31Å; D1227-S1230 PolarHBondContact OD2-OG 2.77Å | ||
| 1228 | A | 74.3 | Confident | 87.1 | Confident | 71 Ų | 71 | 44 Ų | 44 | 59% | 0.587 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -60.3 | -28.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1226 S1230 Q1231 | V1226-A1228 PolarHBondContact O-N 2.82Å; A1228-S1230 VanDerWaalsContact C-N 3.28Å; A1228-S1230 PolarHBondContact O-N 2.79Å; A1228-Q1231 WeakPolarHBondContact O-CG 3.28Å |
| 1229 | T | 78.3 | Confident | 87 | Confident | 119 Ų | 119 | 50.9 Ų | 50.9 | 73% | 0.73 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -72.4 | -24.3 | -177.4 | 71.9 | 0 | 0 | 0 | 0 | 112.7 | D1227 | D1227-T1229 PolarHBondContact O-N 2.87Å; D1227-T1229 WeakPolarHBondContact OD1-CB 3.29Å; D1227-T1229 PolarHBondContact OD1-N 3.25Å; D1227-T1229 PolarHBondContact OD1-OG1 3.01Å; D1227-T1229 PolarHBondContact OD2-OG1 3.07Å |
| 1230 | S | 82.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -93 | 3.5 | -177.3 | -69 | 0 | 0 | 0 | 0 | 114.2 | S1203 D1227 A1228 H1232 K1233 I1234 | S1203-S1230 WeakPolarHBondContact CB-OG 3.43Å; D1227-S1230 PolarHBondContact O-N 2.88Å; D1227-S1230 WeakPolarHBondContact OD2-CB 3.4Å; D1227-S1230 PolarHBondContact OD2-N 3.31Å; D1227-S1230 PolarHBondContact OD2-OG 2.77Å; A1228-S1230 VanDerWaalsContact C-N 3.28Å; A1228-S1230 PolarHBondContact O-N 2.79Å; S1230-H1232 VanDerWaalsContact C-N 3.34Å; S1230-H1232 PolarHBondContact O-N 3.36Å; S1230-K1233 WeakPolarHBondContact O-CA 2.88Å; S1230-K1233 WeakPolarHBondContact O-CB 3.27Å; S1230-K1233 PolarHBondContact O-N 3.44Å; S1230-I1234 WeakPolarHBondContact O-CG1 3.3Å; S1230-I1234 PolarHBondContact O-N 3.27Å |
| 1231 | Q | 84.5 | Confident | 86.8 | Confident | 133 Ų | 133 | 55.2 Ų | 55.2 | 62% | 0.621 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -55.5 | -43.2 | -178.3 | -73.7 | -173.6 | -1.4 | 0 | 0 | 113.6 | A1228 K1233 I1234 S1235 | A1228-Q1231 WeakPolarHBondContact O-CG 3.28Å; Q1231-K1233 VanDerWaalsContact C-N 3.32Å; Q1231-K1233 PolarHBondContact O-N 3Å; Q1231-I1234 PolarHBondContact O-N 3.48Å; Q1231-S1235 PolarHBondContact O-N 3.21Å |
| 1232 | H | 89 | Confident | 86.6 | Confident | 141 Ų | 141 | 59.6 Ų | 59.6 | 65% | 0.653 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.7 | -42.3 | 176 | 179.8 | -88.9 | 0 | 0 | 0 | 111.4 | S1230 S1235 H1236 | S1230-H1232 VanDerWaalsContact C-N 3.34Å; S1230-H1232 PolarHBondContact O-N 3.36Å; H1232-S1235 PolarHBondContact O-N 3.32Å; H1232-S1235 PolarHBondContact O-OG 3.21Å; H1232-H1236 PolarHBondContact O-N 2.72Å |
| 1233 | K | 89.1 | Confident | 86.5 | Confident | 61 Ų | 61 | 63.6 Ų | 63.6 | 27% | 0.265 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 178 | -59.9 | 178.5 | 179.7 | 178 | 0 | 111.4 | S1203 I1206 L1207 S1230 Q1231 H1236 A1237 | S1203-K1233 VanDerWaalsContact O-CD 3.23Å; S1203-K1233 WeakPolarHBondContact O-CD 3.37Å; S1203-K1233 VanDerWaalsContact O-CE 3.31Å; S1203-K1233 WeakPolarHBondContact O-CE 3.47Å; S1203-K1233 PolarHBondContact O-NZ 3.3Å; S1203-K1233 PolarHBondContact OG-NZ 3.03Å; I1206-K1233 HydrophobicContact CG2-CB 4.24Å; L1207-K1233 HydrophobicContact CD1-CG 4.44Å; S1230-K1233 WeakPolarHBondContact O-CA 2.88Å; S1230-K1233 WeakPolarHBondContact O-CB 3.27Å; S1230-K1233 PolarHBondContact O-N 3.44Å; Q1231-K1233 VanDerWaalsContact C-N 3.32Å; Q1231-K1233 PolarHBondContact O-N 3Å; K1233-H1236 PolarHBondContact O-N 2.72Å; K1233-A1237 WeakPolarHBondContact O-CB 3.29Å; K1233-A1237 PolarHBondContact O-N 2.86Å |
| 1234 | I | 88.6 | Confident | 86.4 | Confident | 11 Ų | 11 | 63.9 Ų | 63.9 | 6% | 0.056 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 174.5 | -67.4 | 166.1 | 0 | 0 | 0 | 110.2 | T1219 L1222 K1223 S1230 Q1231 H1236 A1237 L1238 | T1219-I1234 HydrophobicContact CG2-CB 4.41Å; T1219-I1234 HydrophobicContact CG2-CG1 4.46Å; T1219-I1234 HydrophobicContact CG2-CG2 3.89Å; L1222-I1234 HydrophobicContact CB-CD1 4.19Å; L1222-I1234 HydrophobicContact CB-CG1 4.19Å; K1223-I1234 HydrophobicContact CB-CD1 4.35Å; S1230-I1234 WeakPolarHBondContact O-CG1 3.3Å; S1230-I1234 PolarHBondContact O-N 3.27Å; Q1231-I1234 PolarHBondContact O-N 3.48Å; I1234-H1236 VanDerWaalsContact C-N 3.29Å; I1234-H1236 PolarHBondContact O-N 2.83Å; I1234-A1237 PolarHBondContact O-N 3.28Å; I1234-L1238 HydrophobicContact CG2-CD1 3.99Å; I1234-L1238 HydrophobicContact CG2-CG 4.45Å; I1234-L1238 WeakPolarHBondContact O-CB 3.47Å; I1234-L1238 WeakPolarHBondContact O-CG 3.36Å; I1234-L1238 PolarHBondContact O-N 3.28Å |
| 1235 | S | 89.3 | Confident | 86.4 | Confident | 50 Ų | 50 | 68.2 Ų | 68.2 | 35% | 0.35 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.3 | -37.8 | 178.8 | 78.8 | 0 | 0 | 0 | 0 | 112.6 | Q1231 H1232 K1239 | Q1231-S1235 PolarHBondContact O-N 3.21Å; H1232-S1235 PolarHBondContact O-N 3.32Å; H1232-S1235 PolarHBondContact O-OG 3.21Å; S1235-K1239 WeakPolarHBondContact O-CG 3.4Å; S1235-K1239 PolarHBondContact O-N 2.65Å |
| 1236 | H | 91.6 | Very high | 86.5 | Confident | 67 Ų | 67 | 70 Ų | 70 | 31% | 0.31 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -74.2 | -39.2 | 177.8 | -170.1 | -80.8 | 0 | 0 | 0 | 112 | L1207 H1232 K1233 I1234 K1239 R1240 | L1207-H1236 HydrophobicContact CD2-CB 4.04Å; L1207-H1236 WeakPolarHBondContact CD2-ND1 3.46Å; H1232-H1236 PolarHBondContact O-N 2.72Å; K1233-H1236 PolarHBondContact O-N 2.72Å; I1234-H1236 VanDerWaalsContact C-N 3.29Å; I1234-H1236 PolarHBondContact O-N 2.83Å; H1236-K1239 PolarHBondContact O-N 3.27Å; H1236-R1240 PolarHBondContact CE1-NE 2.87Å; H1236-R1240 PolarHBondContact O-N 3.32Å |
| 1237 | A | 91.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1206 L1207 Q1215 T1219 K1233 I1234 K1239 R1240 I1241 | I1206-A1237 HydrophobicContact CG1-CB 4.26Å; L1207-A1237 HydrophobicContact CD2-CB 4.35Å; Q1215-A1237 HydrophobicContact CG-CB 4.46Å; T1219-A1237 HydrophobicContact CG2-CB 4.15Å; T1219-A1237 VanDerWaalsContact OG1-CB 3.31Å; T1219-A1237 WeakPolarHBondContact OG1-CB 3.37Å; K1233-A1237 WeakPolarHBondContact O-CB 3.29Å; K1233-A1237 PolarHBondContact O-N 2.86Å; I1234-A1237 PolarHBondContact O-N 3.28Å; A1237-K1239 VanDerWaalsContact C-N 3.35Å; A1237-K1239 PolarHBondContact O-N 2.97Å; A1237-R1240 WeakPolarHBondContact O-CB 3.5Å; A1237-R1240 PolarHBondContact O-N 3.09Å; A1237-R1240 VanDerWaalsContact O-N 3.09Å; A1237-I1241 VanDerWaalsContact O-CG1 3.31Å; A1237-I1241 WeakPolarHBondContact O-CG1 3.31Å; A1237-I1241 PolarHBondContact O-N 3.15Å |
| 1238 | L | 90.7 | Very high | 87.1 | Confident | 14 Ų | 14 | 70 Ų | 70 | 7% | 0.073 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.1 | -43.1 | 173.3 | -79.1 | 168.4 | 0 | 0 | 0 | 112.6 | I1234 R1240 I1241 Q1242 Y1292 L1295 L1299 | I1234-L1238 HydrophobicContact CG2-CD1 3.99Å; I1234-L1238 HydrophobicContact CG2-CG 4.45Å; I1234-L1238 WeakPolarHBondContact O-CB 3.47Å; I1234-L1238 WeakPolarHBondContact O-CG 3.36Å; I1234-L1238 PolarHBondContact O-N 3.28Å; L1238-R1240 VanDerWaalsContact C-N 3.26Å; L1238-R1240 PolarHBondContact O-N 3.16Å; L1238-I1241 PolarHBondContact O-N 3.26Å; L1238-Q1242 VanDerWaalsContact O-CG 3.29Å; L1238-Q1242 WeakPolarHBondContact O-CG 3.27Å; L1238-Q1242 PolarHBondContact O-N 2.93Å; L1238-Y1292 HydrophobicContact CD2-CE2 4.16Å; L1238-L1295 HydrophobicContact CD2-CD2 3.51Å; L1238-L1295 HydrophobicContact CD2-CG 4.23Å; L1238-L1295 HydrophobicContact CG-CD2 4.43Å; L1238-L1299 HydrophobicContact CD1-CD1 3.75Å |
| 1239 | K | 91 | Very high | 87.4 | Confident | 144 Ų | 144 | 70.6 Ų | 70.6 | 63% | 0.626 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -60.4 | -35.8 | 175.1 | -73.7 | 177.1 | -178.8 | -179.7 | 0 | 112.3 | S1235 H1236 A1237 | S1235-K1239 WeakPolarHBondContact O-CG 3.4Å; S1235-K1239 PolarHBondContact O-N 2.65Å; H1236-K1239 PolarHBondContact O-N 3.27Å; A1237-K1239 VanDerWaalsContact C-N 3.35Å; A1237-K1239 PolarHBondContact O-N 2.97Å |
| 1240 | R | 90.7 | Very high | 88 | Confident | 92 Ų | 92 | 68.5 Ų | 68.5 | 35% | 0.347 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.6 | -42.8 | 175.3 | -69.4 | -172.4 | 175.3 | -175.4 | 12.5 | 112.2 | L1207 H1236 A1237 L1238 Q1242 A1243 | L1207-R1240 PolarHBondContact O-NH1 3.21Å; L1207-R1240 PolarHBondContact O-NH2 2.83Å; H1236-R1240 PolarHBondContact CE1-NE 2.87Å; H1236-R1240 PolarHBondContact O-N 3.32Å; A1237-R1240 WeakPolarHBondContact O-CB 3.5Å; A1237-R1240 PolarHBondContact O-N 3.09Å; A1237-R1240 VanDerWaalsContact O-N 3.09Å; L1238-R1240 VanDerWaalsContact C-N 3.26Å; L1238-R1240 PolarHBondContact O-N 3.16Å; R1240-Q1242 VanDerWaalsContact C-N 3.25Å; R1240-Q1242 PolarHBondContact O-N 2.92Å; R1240-A1243 VanDerWaalsContact O-CB 3.23Å; R1240-A1243 WeakPolarHBondContact O-CB 3.35Å; R1240-A1243 PolarHBondContact O-N 3.1Å |
| 1241 | I | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.6 | -40.3 | 175.6 | -69.1 | 164.6 | 0 | 0 | 0 | 110.7 | L1212 Q1215 M1216 T1219 A1237 L1238 A1243 F1244 Y1253 Y1292 | L1212-I1241 HydrophobicContact CD1-CG2 4.39Å; Q1215-I1241 HydrophobicContact CG-CD1 4.14Å; Q1215-I1241 HydrophobicContact CG-CG1 3.88Å; M1216-I1241 HydrophobicContact CE-CG2 3.41Å; M1216-I1241 VanDerWaalsContact CE-CG2 3.41Å; M1216-I1241 HydrophobicContact CG-CD1 4.01Å; M1216-I1241 HydrophobicContact CG-CG1 4.09Å; M1216-I1241 HydrophobicContact CG-CG2 4.06Å; T1219-I1241 HydrophobicContact CG2-CD1 4.5Å; A1237-I1241 VanDerWaalsContact O-CG1 3.31Å; A1237-I1241 WeakPolarHBondContact O-CG1 3.31Å; A1237-I1241 PolarHBondContact O-N 3.15Å; L1238-I1241 PolarHBondContact O-N 3.26Å; I1241-A1243 PolarHBondContact O-N 3.43Å; I1241-A1243 VanDerWaalsContact O-N 3.12Å; I1241-F1244 PolarHBondContact O-N 2.91Å; I1241-Y1253 HydrophobicContact CG2-CD1 4.13Å; I1241-Y1253 HydrophobicContact CG2-CE1 4.01Å; I1241-Y1292 HydrophobicContact CG2-CD2 3.81Å; I1241-Y1292 HydrophobicContact CG2-CE2 3.99Å |
| 1242 | Q | 89.1 | Confident | 88.8 | Confident | 91 Ų | 91 | 62.5 Ų | 62.5 | 43% | 0.425 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -58.8 | -23 | 176.8 | -77.9 | 174.5 | -13.6 | 0 | 0 | 113.7 | L1238 R1240 F1244 R1245 | L1238-Q1242 VanDerWaalsContact O-CG 3.29Å; L1238-Q1242 WeakPolarHBondContact O-CG 3.27Å; L1238-Q1242 PolarHBondContact O-N 2.93Å; R1240-Q1242 VanDerWaalsContact C-N 3.25Å; R1240-Q1242 PolarHBondContact O-N 2.92Å; Q1242-F1244 PolarHBondContact O-N 3.35Å; Q1242-R1245 WeakPolarHBondContact O-CB 3.45Å; Q1242-R1245 PolarHBondContact O-N 3.49Å |
| 1243 | A | 89.2 | Confident | 89 | Confident | 85 Ų | 85 | 55.8 Ų | 55.8 | 70% | 0.702 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -68.6 | -22.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | R1240 I1241 | R1240-A1243 VanDerWaalsContact O-CB 3.23Å; R1240-A1243 WeakPolarHBondContact O-CB 3.35Å; R1240-A1243 PolarHBondContact O-N 3.1Å; I1241-A1243 PolarHBondContact O-N 3.43Å; I1241-A1243 VanDerWaalsContact O-N 3.12Å |
| 1244 | F | 89.5 | Confident | 89 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 30% | 0.303 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -94.2 | 8 | 176.6 | -64.5 | -87.7 | 0 | 0 | 0 | 113.2 | L1212 I1241 Q1242 Q1246 | L1212-F1244 HydrophobicContact CB-CD1 4.49Å; L1212-F1244 HydrophobicContact CB-CG 4.45Å; L1212-F1244 HydrophobicContact CD1-CB 3.72Å; L1212-F1244 HydrophobicContact CD1-CD2 3.63Å; L1212-F1244 HydrophobicContact CD1-CE2 4.34Å; L1212-F1244 HydrophobicContact CD1-CG 3.73Å; L1212-F1244 HydrophobicContact CD2-CB 3.75Å; L1212-F1244 HydrophobicContact CD2-CD1 4.28Å; L1212-F1244 HydrophobicContact CD2-CG 4.04Å; L1212-F1244 HydrophobicContact CG-CB 4.32Å; L1212-F1244 HydrophobicContact CG-CG 4.29Å; I1241-F1244 PolarHBondContact O-N 2.91Å; Q1242-F1244 PolarHBondContact O-N 3.35Å; F1244-Q1246 PolarHBondContact O-N 2.88Å; F1244-Q1246 VanDerWaalsContact O-N 3.17Å |
| 1245 | R | 90.8 | Very high | 88.9 | Confident | 108 Ų | 108 | 55.7 Ų | 55.7 | 41% | 0.408 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 116.6 | 176.2 | -178.3 | 175.8 | 176.6 | -106.6 | 4.3 | 109.6 | Q1242 V1251 Y1253 E1308 | Q1242-R1245 WeakPolarHBondContact O-CB 3.45Å; Q1242-R1245 PolarHBondContact O-N 3.49Å; R1245-V1251 HydrophobicContact CG-CG1 3.97Å; R1245-Y1253 HydrophobicContact CB-CD1 4.45Å; R1245-Y1253 HydrophobicContact CB-CE1 3.72Å; R1245-Y1253 HydrophobicContact CG-CE1 4.31Å; R1245-E1308 IonicContact NE-OE1 2.72Å |
| 1246 | Q | 88.6 | Confident | 88.7 | Confident | 55 Ų | 55 | 55.5 Ų | 55.5 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 143.5 | 171.1 | -59.5 | -61.6 | -26.7 | 0 | 0 | 109 | F1244 Y1252 | F1244-Q1246 PolarHBondContact O-N 2.88Å; F1244-Q1246 VanDerWaalsContact O-N 3.17Å; Q1246-Y1252 HydrophobicContact CB-CD1 4.19Å; Q1246-Y1252 HydrophobicContact CB-CD2 3.92Å; Q1246-Y1252 HydrophobicContact CB-CE1 3.85Å; Q1246-Y1252 HydrophobicContact CB-CE2 3.52Å; Q1246-Y1252 HydrophobicContact CB-CG 4.23Å; Q1246-Y1252 VanDerWaalsContact CB-CZ 3.49Å; Q1246-Y1252 HydrophobicContact CG-CD2 4.42Å; Q1246-Y1252 HydrophobicContact CG-CE2 3.85Å; Q1246-Y1252 PolarHBondContact N-O 3.1Å; Q1246-Y1252 PolarHBondContact O-N 3Å; Q1246-Y1252 VanDerWaalsContact O-O 3.11Å |
| 1247 | K | 83.6 | Confident | 88.4 | Confident | 129 Ų | 129 | 59.5 Ų | 59.5 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 109.9 | 172.6 | -171.8 | 174 | -179.8 | 175.2 | 0 | 109.2 | V1251 | K1247-V1251 HydrophobicContact CD-CG2 4.26Å; K1247-V1251 HydrophobicContact CG-CG2 4.25Å |
| 1248 | G | 76.7 | Confident | 88.3 | Confident | 29 Ų | 29 | 59.7 Ų | 59.7 | 30% | 0.299 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -94.3 | -121 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y1250 | G1248-Y1250 VanDerWaalsContact C-N 3.26Å; G1248-Y1250 PolarHBondContact N-O 2.87Å |
| 1249 | D | 79.9 | Confident | 88.1 | Confident | 85 Ų | 85 | 60.2 Ų | 60.2 | 46% | 0.455 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -67.4 | -34 | 164.6 | -69.6 | 0.4 | 0 | 0 | 0 | 110.4 | R1271 | D1249-R1271 IonicContact OD2-CZ 3.9Å; D1249-R1271 IonicContact OD2-NH1 3.17Å; D1249-R1271 PolarHBondContact OD2-NH1 3.24Å; D1249-R1271 IonicContact OD2-NH2 2.81Å; D1249-R1271 PolarHBondContact OD2-NH2 3.21Å |
| 1250 | Y | 90 | Very high | 87.8 | Confident | 74 Ų | 74 | 56.4 Ų | 56.4 | 29% | 0.29 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -127.9 | 163.6 | -179.6 | -56.3 | -62.3 | 0 | 0 | 0 | 112 | G1248 D1311 H1314 W1315 | G1248-Y1250 VanDerWaalsContact C-N 3.26Å; G1248-Y1250 PolarHBondContact N-O 2.87Å; Y1250-D1311 WeakPolarHBondContact CB-O 3.43Å; Y1250-H1314 HydrophobicContact CD1-CB 3.52Å; Y1250-H1314 HydrophobicContact CD2-CB 4.04Å; Y1250-H1314 HydrophobicContact CE1-CB 3.37Å; Y1250-H1314 AromaticContact CE1-CG 3.68Å; Y1250-H1314 HydrophobicContact CE2-CB 3.91Å; Y1250-H1314 HydrophobicContact CG-CB 3.87Å; Y1250-H1314 AromaticContact CZ-CG 3.97Å; Y1250-W1315 HydrophobicContact CG-CB 4.4Å |
| 1251 | V | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 133.8 | 178.2 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | R1245 K1247 Y1253 D1311 M1312 | R1245-V1251 HydrophobicContact CG-CG1 3.97Å; K1247-V1251 HydrophobicContact CD-CG2 4.26Å; K1247-V1251 HydrophobicContact CG-CG2 4.25Å; V1251-Y1253 HydrophobicContact CG1-CE2 4.42Å; V1251-D1311 HydrophobicContact CB-CB 4.36Å; V1251-D1311 HydrophobicContact CG2-CB 4.29Å; V1251-M1312 HydrophobicContact CB-CG 4.44Å; V1251-M1312 WeakPolarHBondContact O-CG 3.34Å |
| 1252 | Y | 93 | Very high | 87.1 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 3% | 0.027 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 172.2 | 174 | 68.7 | -90.6 | 0 | 0 | 0 | 111.2 | Q1246 A1254 R1257 I1258 W1315 | Q1246-Y1252 HydrophobicContact CB-CD1 4.19Å; Q1246-Y1252 HydrophobicContact CB-CD2 3.92Å; Q1246-Y1252 HydrophobicContact CB-CE1 3.85Å; Q1246-Y1252 HydrophobicContact CB-CE2 3.52Å; Q1246-Y1252 HydrophobicContact CB-CG 4.23Å; Q1246-Y1252 VanDerWaalsContact CB-CZ 3.49Å; Q1246-Y1252 HydrophobicContact CG-CD2 4.42Å; Q1246-Y1252 HydrophobicContact CG-CE2 3.85Å; Q1246-Y1252 PolarHBondContact N-O 3.1Å; Q1246-Y1252 PolarHBondContact O-N 3Å; Q1246-Y1252 VanDerWaalsContact O-O 3.11Å; Y1252-A1254 HydrophobicContact CD2-CB 4.25Å; Y1252-A1254 HydrophobicContact CE2-CB 4.09Å; Y1252-R1257 WeakPolarHBondContact OH-CG 3.32Å; Y1252-I1258 HydrophobicContact CE2-CB 4.34Å; Y1252-I1258 HydrophobicContact CE2-CD1 4.38Å; Y1252-I1258 HydrophobicContact CE2-CG1 4.44Å; Y1252-I1258 PolarHBondContact OH-N 3.09Å; Y1252-I1258 PolarHBondContact OH-O 3.09Å; Y1252-I1258 VanDerWaalsContact OH-O 3.05Å; Y1252-W1315 VanDerWaalsContact CB-CE2 3.45Å; Y1252-W1315 AromaticContact CD1-CD1 3.8Å; Y1252-W1315 HydrophobicContact CD1-CD2 4.25Å; Y1252-W1315 AromaticContact CD1-CE2 3.77Å; Y1252-W1315 HydrophobicContact CD1-CG 4.24Å; Y1252-W1315 HydrophobicContact CD1-CZ2 4.35Å; Y1252-W1315 AromaticContact CD1-NE1 3.53Å; Y1252-W1315 AromaticContact CD2-CE2 4Å; Y1252-W1315 HydrophobicContact CD2-CH2 4.27Å; Y1252-W1315 AromaticContact CD2-CZ2 3.75Å; Y1252-W1315 HydrophobicContact CD2-CZ2 3.75Å; Y1252-W1315 HydrophobicContact CE2-CZ2 4.39Å; Y1252-W1315 AromaticContact CG-CD2 3.9Å; Y1252-W1315 HydrophobicContact CG-CD2 3.9Å; Y1252-W1315 AromaticContact CG-CE2 3.48Å; Y1252-W1315 VanDerWaalsContact CG-CE2 3.48Å; Y1252-W1315 HydrophobicContact CG-CE3 4.48Å; Y1252-W1315 HydrophobicContact CG-CG 4.31Å; Y1252-W1315 HydrophobicContact CG-CH2 4.35Å; Y1252-W1315 AromaticContact CG-CZ2 3.74Å; Y1252-W1315 HydrophobicContact CG-CZ2 3.74Å; Y1252-W1315 AromaticContact CG-NE1 3.77Å |
| 1253 | Y | 93.2 | Very high | 87 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 127.6 | 179.4 | -69.3 | -94.6 | 0 | 0 | 0 | 111.1 | M1216 I1241 R1245 V1251 C1288 S1289 Y1292 M1312 | M1216-Y1253 HydrophobicContact CE-CD1 3.51Å; M1216-Y1253 HydrophobicContact CE-CD2 4.25Å; M1216-Y1253 HydrophobicContact CE-CE1 4.38Å; M1216-Y1253 HydrophobicContact CE-CG 3.43Å; M1216-Y1253 VanDerWaalsContact CE-CG 3.43Å; I1241-Y1253 HydrophobicContact CG2-CD1 4.13Å; I1241-Y1253 HydrophobicContact CG2-CE1 4.01Å; R1245-Y1253 HydrophobicContact CB-CD1 4.45Å; R1245-Y1253 HydrophobicContact CB-CE1 3.72Å; R1245-Y1253 HydrophobicContact CG-CE1 4.31Å; V1251-Y1253 HydrophobicContact CG1-CE2 4.42Å; Y1253-C1288 WeakPolarHBondContact O-CB 3.33Å; Y1253-S1289 PolarHBondContact N-OG 3.05Å; Y1253-S1289 PolarHBondContact O-OG 2.69Å; Y1253-Y1292 AromaticContact CD2-CD1 3.82Å; Y1253-Y1292 HydrophobicContact CD2-CD1 3.82Å; Y1253-Y1292 HydrophobicContact CD2-CE1 4.35Å; Y1253-Y1292 AromaticContact CD2-CG 3.93Å; Y1253-Y1292 HydrophobicContact CD2-CG 3.93Å; Y1253-Y1292 HydrophobicContact CE1-CD2 4.47Å; Y1253-Y1292 HydrophobicContact CE1-CE2 4.36Å; Y1253-Y1292 AromaticContact CE2-CD1 3.26Å; Y1253-Y1292 HydrophobicContact CE2-CD1 3.26Å; Y1253-Y1292 HydrophobicContact CE2-CD2 4.19Å; Y1253-Y1292 AromaticContact CE2-CE1 3.36Å; Y1253-Y1292 HydrophobicContact CE2-CE1 3.36Å; Y1253-Y1292 HydrophobicContact CE2-CE2 4.28Å; Y1253-Y1292 AromaticContact CE2-CG 3.69Å; Y1253-Y1292 HydrophobicContact CE2-CG 3.69Å; Y1253-Y1292 AromaticContact CE2-CZ 3.88Å; Y1253-Y1292 AromaticContact CZ-CD1 3.87Å; Y1253-Y1292 AromaticContact CZ-CE1 3.59Å; Y1253-Y1292 AromaticContact CZ-CE2 3.88Å; Y1253-Y1292 AromaticContact CZ-CZ 3.59Å; Y1253-Y1292 WeakPolarHBondContact OH-CE1 3.41Å; Y1253-Y1292 PolarHBondContact OH-OH 2.89Å; Y1253-M1312 HydrophobicContact CD2-CE 4.25Å; Y1253-M1312 HydrophobicContact CE2-SD 4.38Å |
| 1254 | A | 89.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -156.6 | 158.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | L1212 Y1252 Y1256 I1258 | L1212-A1254 VanDerWaalsContact CD2-C 3.46Å; Y1252-A1254 HydrophobicContact CD2-CB 4.25Å; Y1252-A1254 HydrophobicContact CE2-CB 4.09Å; A1254-Y1256 VanDerWaalsContact C-N 3.28Å; A1254-Y1256 VanDerWaalsContact CB-O 3.24Å; A1254-Y1256 WeakPolarHBondContact CB-O 3.36Å; A1254-Y1256 PolarHBondContact O-N 3.4Å; A1254-I1258 HydrophobicContact CB-CD1 4.26Å | ||
| 1255 | N | 85.8 | Confident | 87 | Confident | 70 Ų | 70 | 61.6 Ų | 61.6 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -65 | -30.7 | 174.3 | 57.9 | -7.7 | 0 | 0 | 0 | 112.5 | N1281 Y1284 | N1255-N1281 PolarHBondContact ND2-OD1 3.46Å; N1255-N1281 VanDerWaalsContact OD1-CG 3.22Å; N1255-N1281 PolarHBondContact OD1-ND2 3.47Å; N1255-N1281 PolarHBondContact OD1-OD1 2.92Å; N1255-Y1284 HydrophobicContact CB-CE1 3.84Å |
| 1256 | Y | 85.2 | Confident | 86.5 | Confident | 46 Ų | 46 | 58 Ų | 58 | 18% | 0.18 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -141.4 | 161 | 171.8 | 65.5 | -101.2 | 0 | 0 | 0 | 111.2 | A1254 I1258 P1280 N1281 P1426 I1466 | A1254-Y1256 VanDerWaalsContact C-N 3.28Å; A1254-Y1256 VanDerWaalsContact CB-O 3.24Å; A1254-Y1256 WeakPolarHBondContact CB-O 3.36Å; A1254-Y1256 PolarHBondContact O-N 3.4Å; Y1256-I1258 PolarHBondContact O-N 2.77Å; Y1256-P1280 VanDerWaalsContact OH-C 3.24Å; Y1256-P1280 PolarHBondContact OH-O 3.46Å; Y1256-N1281 HydrophobicContact CD1-CB 4.49Å; Y1256-N1281 HydrophobicContact CE1-CB 3.58Å; Y1256-N1281 HydrophobicContact CE2-CB 3.74Å; Y1256-N1281 WeakPolarHBondContact OH-CB 3.27Å; Y1256-P1426 HydrophobicContact CE2-CB 4.17Å; Y1256-P1426 HydrophobicContact CE2-CG 4.02Å; Y1256-I1466 HydrophobicContact CD1-CG2 4.16Å; Y1256-I1466 HydrophobicContact CE1-CG2 3.64Å; Y1256-I1466 HydrophobicContact CE2-CG2 4.29Å |
| 1257 | R | 85.5 | Confident | 86 | Confident | 150 Ų | 150 | 65.6 Ų | 65.6 | 57% | 0.566 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 126.7 | -175.2 | -173.5 | 179.8 | -179.8 | 177.4 | 1 | 111.3 | Y1252 | Y1252-R1257 WeakPolarHBondContact OH-CG 3.32Š|
| 1258 | I | 88.1 | Confident | 85.9 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -87.5 | 126.5 | 170.2 | -60.9 | 165.1 | 0 | 0 | 0 | 107.6 | Y1252 A1254 Y1256 N1281 W1315 | Y1252-I1258 HydrophobicContact CE2-CB 4.34Å; Y1252-I1258 HydrophobicContact CE2-CD1 4.38Å; Y1252-I1258 HydrophobicContact CE2-CG1 4.44Å; Y1252-I1258 PolarHBondContact OH-N 3.09Å; Y1252-I1258 PolarHBondContact OH-O 3.09Å; Y1252-I1258 VanDerWaalsContact OH-O 3.05Å; A1254-I1258 HydrophobicContact CB-CD1 4.26Å; Y1256-I1258 PolarHBondContact O-N 2.77Å; I1258-N1281 WeakPolarHBondContact CD1-O 3.49Å; I1258-W1315 HydrophobicContact CD1-CH2 4.24Å; I1258-W1315 HydrophobicContact CD1-CZ2 3.89Å |
| 1259 | P | 87 | Confident | 86.1 | Confident | 25 Ų | 25 | 63.9 Ų | 63.9 | 16% | 0.162 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 130.9 | 177.7 | -24.2 | 34.7 | 0 | 0 | 0 | 111.5 | M1279 P1426 T1429 | P1259-M1279 HydrophobicContact CB-CE 4.18Å; P1259-M1279 HydrophobicContact CG-CE 4.2Å; P1259-M1279 HydrophobicContact CG-SD 4.42Å; P1259-P1426 HydrophobicContact CG-CB 4.22Å; P1259-P1426 VanDerWaalsContact CG-O 3.27Å; P1259-P1426 WeakPolarHBondContact CG-O 3.21Å; P1259-T1429 HydrophobicContact CB-CG2 4.27Å; P1259-T1429 HydrophobicContact CG-CG2 4.28Å |
| 1260 | P | 84.3 | Confident | 86.2 | Confident | 63 Ų | 63 | 66.5 Ų | 66.5 | 41% | 0.409 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -67 | 159.3 | 174.9 | 29.6 | -34.9 | 0 | 0 | 0 | 111.2 | K1262 | P1260-K1262 PolarHBondContact O-N 2.93Š|
| 1261 | P | 83.4 | Confident | 86.1 | Confident | 33 Ų | 33 | 65.8 Ų | 65.8 | 21% | 0.214 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 135.2 | 173.2 | 24.1 | -32.9 | 0 | 0 | 0 | 110.4 | ||
| 1262 | K | 85.1 | Confident | 85.9 | Confident | 111 Ų | 111 | 66.5 Ų | 66.5 | 48% | 0.483 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 140.5 | 176.8 | -66.8 | -172.5 | -179.7 | -176.3 | 0 | 109 | P1260 N1274 T1429 | P1260-K1262 PolarHBondContact O-N 2.93Å; K1262-N1274 WeakPolarHBondContact O-CB 3.41Å; K1262-N1274 PolarHBondContact O-N 2.82Å; K1262-N1274 PolarHBondContact O-ND2 2.81Å; K1262-T1429 WeakPolarHBondContact CE-OG1 3.35Å; K1262-T1429 PolarHBondContact NZ-OG1 2.63Å |
| 1263 | W | 87.3 | Confident | 85.8 | Confident | 125 Ų | 125 | 66.9 Ų | 66.9 | 47% | 0.473 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 158.4 | 170.9 | 54.5 | -92.1 | 0 | 0 | 0 | 110.1 | L1265 R1271 I1272 | W1263-L1265 HydrophobicContact CE3-CD2 4.25Å; W1263-L1265 HydrophobicContact CE3-CG 4.32Å; W1263-L1265 HydrophobicContact CZ3-CD1 4.2Å; W1263-L1265 HydrophobicContact CZ3-CD2 3.74Å; W1263-L1265 HydrophobicContact CZ3-CG 3.73Å; W1263-R1271 HydrophobicContact CB-CG 3.73Å; W1263-R1271 VanDerWaalsContact CD1-NH2 3.28Å; W1263-R1271 HydrophobicContact CD2-CG 3.92Å; W1263-R1271 HydrophobicContact CE3-CG 3.93Å; W1263-R1271 HydrophobicContact CG-CG 3.86Å; W1263-R1271 VanDerWaalsContact CG-NE 3.29Å; W1263-I1272 CarbonylContact C-O 3.51Å; W1263-I1272 WeakPolarHBondContact CA-O 3.28Å; W1263-I1272 VanDerWaalsContact CB-O 3.28Å; W1263-I1272 WeakPolarHBondContact CB-O 3.34Å |
| 1264 | E | 89.6 | Confident | 85.6 | Confident | 72 Ų | 72 | 68 Ų | 68 | 34% | 0.336 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 163 | 173.6 | 61.8 | -171.6 | -172 | 0 | 0 | 109.6 | K946 I1272 | K946-E1264 WeakPolarHBondContact CD-OE1 3.13Å; K946-E1264 WeakPolarHBondContact CE-OE1 3.37Å; K946-E1264 IonicContact NZ-OE1 3.68Å; K946-E1264 PolarHBondContact NZ-OE1 3.36Å; K946-E1264 IonicContact NZ-OE2 2.85Å; K946-E1264 PolarHBondContact NZ-OE2 2.94Å; E1264-I1272 HydrophobicContact CG-CB 3.82Å; E1264-I1272 HydrophobicContact CG-CD1 4.25Å; E1264-I1272 HydrophobicContact CG-CG1 4.38Å; E1264-I1272 HydrophobicContact CG-CG2 4.45Å; E1264-I1272 PolarHBondContact N-O 2.85Å; E1264-I1272 PolarHBondContact O-N 3.06Å |
| 1265 | L | 87.5 | Confident | 85.6 | Confident | 106 Ų | 106 | 68.4 Ų | 68.4 | 56% | 0.555 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 133.3 | 173.8 | -65.7 | 168.9 | 0 | 0 | 0 | 109 | W1263 R1270 | W1263-L1265 HydrophobicContact CE3-CD2 4.25Å; W1263-L1265 HydrophobicContact CE3-CG 4.32Å; W1263-L1265 HydrophobicContact CZ3-CD1 4.2Å; W1263-L1265 HydrophobicContact CZ3-CD2 3.74Å; W1263-L1265 HydrophobicContact CZ3-CG 3.73Å; L1265-R1270 CarbonylContact C-O 3.56Å; L1265-R1270 WeakPolarHBondContact CA-O 3.24Å |
| 1266 | D | 80.4 | Confident | 85.7 | Confident | 32 Ų | 32 | 66 Ų | 66 | 17% | 0.171 | 33% | 0.326 | C | S | . | . | trans | -68.3 | 173 | 167.1 | 83.8 | -7.8 | 0 | 0 | 0 | 110.6 | A1268 G1269 R1270 I1272 | D1266-A1268 PolarHBondContact O-N 3.32Å; D1266-A1268 VanDerWaalsContact O-N 3.12Å; D1266-A1268 WeakPolarHBondContact OD1-CA 3.07Å; D1266-A1268 WeakPolarHBondContact OD1-CB 3.04Å; D1266-A1268 PolarHBondContact OD1-N 3.34Å; D1266-G1269 PolarHBondContact O-N 2.93Å; D1266-G1269 PolarHBondContact OD1-N 3.42Å; D1266-R1270 PolarHBondContact N-O 2.78Å; D1266-R1270 WeakPolarHBondContact OD1-CB 3.12Å; D1266-R1270 PolarHBondContact OD1-N 3.25Å; D1266-R1270 WeakPolarHBondContact OD2-CB 3.13Å; D1266-R1270 IonicContact OD2-CZ 3.34Å; D1266-R1270 IonicContact OD2-NE 3.45Å; D1266-R1270 PolarHBondContact OD2-NE 3.44Å; D1266-R1270 IonicContact OD2-NH2 2.69Å; D1266-I1272 HydrophobicContact CB-CD1 3.83Å; D1266-I1272 HydrophobicContact CB-CG1 4.1Å | ||
| 1267 | Q | 79.8 | Confident | 85.8 | Confident | 214 Ų | 214 | 66.6 Ų | 66.6 | 100% | 1 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -17.1 | 177.1 | -66.6 | -178.7 | -11.4 | 0 | 0 | 113.6 | ||
| 1268 | A | 80.8 | Confident | 85.8 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 58% | 0.579 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 4.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1266 R1270 | D1266-A1268 PolarHBondContact O-N 3.32Å; D1266-A1268 VanDerWaalsContact O-N 3.12Å; D1266-A1268 WeakPolarHBondContact OD1-CA 3.07Å; D1266-A1268 WeakPolarHBondContact OD1-CB 3.04Å; D1266-A1268 PolarHBondContact OD1-N 3.34Å; A1268-R1270 VanDerWaalsContact C-N 3.35Å |
| 1269 | G | 81.8 | Confident | 85.8 | Confident | 52 Ų | 52 | 62.1 Ų | 62.1 | 54% | 0.536 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 76.4 | 13.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | D1266 | D1266-G1269 PolarHBondContact O-N 2.93Å; D1266-G1269 PolarHBondContact OD1-N 3.42Å |
| 1270 | R | 81.8 | Confident | 85.6 | Confident | 141 Ų | 141 | 61.2 Ų | 61.2 | 53% | 0.532 | 31% | 0.312 | S | S | . | . | trans | -80.5 | 141.1 | 172.5 | -60.1 | -179.6 | -97.4 | -155.4 | -19 | 110.5 | L1265 D1266 A1268 | L1265-R1270 CarbonylContact C-O 3.56Å; L1265-R1270 WeakPolarHBondContact CA-O 3.24Å; D1266-R1270 PolarHBondContact N-O 2.78Å; D1266-R1270 WeakPolarHBondContact OD1-CB 3.12Å; D1266-R1270 PolarHBondContact OD1-N 3.25Å; D1266-R1270 WeakPolarHBondContact OD2-CB 3.13Å; D1266-R1270 IonicContact OD2-CZ 3.34Å; D1266-R1270 IonicContact OD2-NE 3.45Å; D1266-R1270 PolarHBondContact OD2-NE 3.44Å; D1266-R1270 IonicContact OD2-NH2 2.69Å; A1268-R1270 VanDerWaalsContact C-N 3.35Å | ||
| 1271 | R | 86.9 | Confident | 85.8 | Confident | 59 Ų | 59 | 58.3 Ų | 58.3 | 22% | 0.223 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 127 | 177 | -175.9 | 169.6 | 160.8 | 172.7 | -2.2 | 109.8 | N943 N944 D1249 W1263 E1273 | N943-R1271 CarbonylContact C-O 3.5Å; N943-R1271 WeakPolarHBondContact CA-O 3.44Å; N943-R1271 HydrophobicContact CB-CB 4.35Å; N943-R1271 HydrophobicContact CB-CG 4.48Å; N943-R1271 WeakPolarHBondContact CB-O 3.11Å; N943-R1271 WeakPolarHBondContact ND2-CD 3.33Å; N944-R1271 PolarHBondContact N-O 2.93Å; D1249-R1271 IonicContact OD2-CZ 3.9Å; D1249-R1271 IonicContact OD2-NH1 3.17Å; D1249-R1271 PolarHBondContact OD2-NH1 3.24Å; D1249-R1271 IonicContact OD2-NH2 2.81Å; D1249-R1271 PolarHBondContact OD2-NH2 3.21Å; W1263-R1271 HydrophobicContact CB-CG 3.73Å; W1263-R1271 VanDerWaalsContact CD1-NH2 3.28Å; W1263-R1271 HydrophobicContact CD2-CG 3.92Å; W1263-R1271 HydrophobicContact CE3-CG 3.93Å; W1263-R1271 HydrophobicContact CG-CG 3.86Å; W1263-R1271 VanDerWaalsContact CG-NE 3.29Å; R1271-E1273 WeakPolarHBondContact CD-OE1 3.32Å; R1271-E1273 IonicContact CZ-OE1 3.42Å; R1271-E1273 IonicContact CZ-OE2 2.7Å; R1271-E1273 IonicContact NE-OE1 3.76Å; R1271-E1273 PolarHBondContact NE-OE1 3.46Å; R1271-E1273 IonicContact NE-OE2 3.08Å; R1271-E1273 PolarHBondContact NE-OE2 2.95Å; R1271-E1273 IonicContact NH2-OE1 2.82Å; R1271-E1273 PolarHBondContact NH2-OE1 2.97Å; R1271-E1273 IonicContact NH2-OE2 3.49Å; R1271-E1273 PolarHBondContact NH2-OE2 3.46Å |
| 1272 | I | 88.2 | Confident | 86 | Confident | 15 Ų | 15 | 56.8 Ų | 56.8 | 8% | 0.077 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 117.6 | 170.6 | -49.6 | -178.4 | 0 | 0 | 0 | 107.7 | N944 K946 W1263 E1264 D1266 D1393 | N944-I1272 HydrophobicContact CB-CG1 4.25Å; N944-I1272 HydrophobicContact CB-CG2 4.32Å; N944-I1272 CarbonylContact O-C 3.59Å; N944-I1272 VanDerWaalsContact O-CA 3.25Å; N944-I1272 WeakPolarHBondContact O-CA 3.5Å; N944-I1272 WeakPolarHBondContact O-CG2 3.37Å; K946-I1272 HydrophobicContact CB-CG2 3.68Å; K946-I1272 HydrophobicContact CG-CG2 4.34Å; W1263-I1272 CarbonylContact C-O 3.51Å; W1263-I1272 WeakPolarHBondContact CA-O 3.28Å; W1263-I1272 VanDerWaalsContact CB-O 3.28Å; W1263-I1272 WeakPolarHBondContact CB-O 3.34Å; E1264-I1272 HydrophobicContact CG-CB 3.82Å; E1264-I1272 HydrophobicContact CG-CD1 4.25Å; E1264-I1272 HydrophobicContact CG-CG1 4.38Å; E1264-I1272 HydrophobicContact CG-CG2 4.45Å; E1264-I1272 PolarHBondContact N-O 2.85Å; E1264-I1272 PolarHBondContact O-N 3.06Å; D1266-I1272 HydrophobicContact CB-CD1 3.83Å; D1266-I1272 HydrophobicContact CB-CG1 4.1Å; I1272-D1393 HydrophobicContact CG2-CB 4.47Å |
| 1273 | E | 89.4 | Confident | 86.3 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 125.1 | 175.7 | -56.5 | -61.7 | 164.1 | 0 | 0 | 110.1 | T928 N943 N944 F945 K946 R1271 | T928-E1273 HydrophobicContact CG2-CB 3.97Å; N943-E1273 HydrophobicContact CB-CG 3.87Å; N943-E1273 PolarHBondContact ND2-OE1 2.84Å; N944-E1273 PolarHBondContact O-N 3.17Å; F945-E1273 HydrophobicContact CD1-CB 4.19Å; F945-E1273 HydrophobicContact CD1-CG 4.41Å; F945-E1273 HydrophobicContact CE1-CG 4.46Å; K946-E1273 WeakPolarHBondContact CB-O 3.37Å; K946-E1273 PolarHBondContact N-O 3.03Å; R1271-E1273 WeakPolarHBondContact CD-OE1 3.32Å; R1271-E1273 IonicContact CZ-OE1 3.42Å; R1271-E1273 IonicContact CZ-OE2 2.7Å; R1271-E1273 IonicContact NE-OE1 3.76Å; R1271-E1273 PolarHBondContact NE-OE1 3.46Å; R1271-E1273 IonicContact NE-OE2 3.08Å; R1271-E1273 PolarHBondContact NE-OE2 2.95Å; R1271-E1273 IonicContact NH2-OE1 2.82Å; R1271-E1273 PolarHBondContact NH2-OE1 2.97Å; R1271-E1273 IonicContact NH2-OE2 3.49Å; R1271-E1273 PolarHBondContact NH2-OE2 3.46Å |
| 1274 | N | 90.4 | Very high | 86.4 | Confident | 23 Ų | 23 | 46.2 Ų | 46.2 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -82.1 | 151.5 | 166.5 | -58.6 | -77.6 | 0 | 0 | 0 | 109.5 | K946 K1262 | K946-N1274 WeakPolarHBondContact CD-OD1 3.39Å; K946-N1274 PolarHBondContact NZ-OD1 3.45Å; K1262-N1274 WeakPolarHBondContact O-CB 3.41Å; K1262-N1274 PolarHBondContact O-N 2.82Å; K1262-N1274 PolarHBondContact O-ND2 2.81Å |
| 1275 | P | 89.5 | Confident | 86.6 | Confident | 10 Ų | 10 | 42.8 Ų | 42.8 | 7% | 0.065 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -59.3 | 145.9 | 171.5 | 27.3 | -37.6 | 0 | 0 | 0 | 111.6 | Y926 H927 T928 I948 | Y926-P1275 HydrophobicContact CD1-CG 4.17Å; Y926-P1275 HydrophobicContact CG-CG 4.37Å; H927-P1275 WeakPolarHBondContact O-CA 3.47Å; H927-P1275 WeakPolarHBondContact O-CB 3.42Å; T928-P1275 WeakPolarHBondContact OG1-CA 3.2Å; T928-P1275 WeakPolarHBondContact OG1-CB 3.24Å; I948-P1275 HydrophobicContact CB-CG 4.38Å; I948-P1275 VanDerWaalsContact CD1-CD 3.44Å; I948-P1275 HydrophobicContact CD1-CG 3.1Å; I948-P1275 VanDerWaalsContact CG1-CD 3.49Å; I948-P1275 HydrophobicContact CG1-CG 3.4Å; I948-P1275 VanDerWaalsContact CG1-CG 3.4Å |
| 1276 | R | 87.9 | Confident | 86.9 | Confident | 20 Ų | 20 | 37.8 Ų | 37.8 | 8% | 0.075 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -71 | 137.9 | -179 | -177.4 | 165.9 | 155.9 | -78.7 | -10.5 | 109.5 | H927 D1282 S1318 E1319 N1321 | H927-R1276 PolarHBondContact O-N 3.35Å; R1276-D1282 IonicContact CZ-OD2 2.69Å; R1276-D1282 IonicContact NH2-OD1 3.05Å; R1276-D1282 PolarHBondContact NH2-OD1 2.91Å; R1276-D1282 IonicContact NH2-OD2 3.94Å; R1276-D1282 PolarHBondContact NH2-OD2 3.37Å; R1276-S1318 WeakPolarHBondContact CD-O 3.26Å; R1276-E1319 IonicContact CZ-OE2 3.18Å; R1276-E1319 IonicContact NE-OE1 2.72Å; R1276-E1319 IonicContact NE-OE2 3.17Å; R1276-E1319 PolarHBondContact NE-OE2 3.36Å; R1276-E1319 PolarHBondContact NH1-O 2.64Å; R1276-E1319 VanDerWaalsContact NH1-O 3.17Å; R1276-E1319 IonicContact NH2-OE2 3.41Å; R1276-E1319 PolarHBondContact NH2-OE2 3.09Å; R1276-N1321 PolarHBondContact NH1-OD1 3.1Å |
| 1277 | L | 86.7 | Confident | 87.5 | Confident | 57 Ų | 57 | 36.3 Ų | 36.3 | 30% | 0.298 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -85.8 | 143.1 | 169.5 | -62.8 | 174.6 | 0 | 0 | 0 | 108 | M1279 K1424 | L1277-M1279 HydrophobicContact CB-CE 3.91Å; L1277-M1279 HydrophobicContact CD1-CE 4.25Å; L1277-M1279 PolarHBondContact O-N 2.83Å; L1277-K1424 HydrophobicContact CD1-CG 4.15Å |
| 1278 | E | 86.2 | Confident | 88.2 | Confident | 50 Ų | 50 | 26.1 Ų | 26.1 | 23% | 0.234 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 118.9 | 171.2 | -69.7 | 153.5 | -146.7 | 0 | 0 | 107.8 | K1421 | E1278-K1421 VanDerWaalsContact CD-NZ 3.31Å; E1278-K1421 IonicContact OE1-NZ 2.69Å; E1278-K1421 PolarHBondContact OE1-NZ 3.48Å; E1278-K1421 IonicContact OE2-NZ 3.2Å |
| 1279 | M | 87.4 | Confident | 88.9 | Confident | 12 Ų | 12 | 22.8 Ų | 22.8 | 6% | 0.059 | 12% | 0.115 | C | C | . | . | trans | -108.3 | 149.3 | 179.6 | -62.8 | -66.6 | -176.2 | 0 | 0 | 109.8 | P1259 L1277 N1281 D1282 K1424 T1429 | P1259-M1279 HydrophobicContact CB-CE 4.18Å; P1259-M1279 HydrophobicContact CG-CE 4.2Å; P1259-M1279 HydrophobicContact CG-SD 4.42Å; L1277-M1279 HydrophobicContact CB-CE 3.91Å; L1277-M1279 HydrophobicContact CD1-CE 4.25Å; L1277-M1279 PolarHBondContact O-N 2.83Å; M1279-N1281 PolarHBondContact O-N 3.11Å; M1279-D1282 WeakPolarHBondContact CB-OD1 3.31Å; M1279-D1282 PolarHBondContact N-OD2 2.84Å; M1279-K1424 HydrophobicContact SD-CB 4.46Å; M1279-T1429 HydrophobicContact CE-CG2 3.84Å | ||
| 1280 | P | 83.6 | Confident | 89.5 | Confident | 5 Ų | 5 | 20.3 Ų | 20.3 | 3% | 0.032 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | 135.1 | 167.7 | 28 | -32.8 | 0 | 0 | 0 | 108.6 | Y1256 P1426 R1557 | Y1256-P1280 VanDerWaalsContact OH-C 3.24Å; Y1256-P1280 PolarHBondContact OH-O 3.46Å; P1280-P1426 HydrophobicContact CG-CB 4.35Å; P1280-P1426 HydrophobicContact CG-CG 3.77Å; P1280-R1557 HydrophobicContact CB-CG 4.06Å |
| 1281 | N | 87.4 | Confident | 90 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.011 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | 9.8 | 179 | -162.2 | 75.3 | 0 | 0 | 0 | 116.1 | N1255 Y1256 I1258 M1279 Y1284 G1285 E1554 | N1255-N1281 PolarHBondContact ND2-OD1 3.46Å; N1255-N1281 VanDerWaalsContact OD1-CG 3.22Å; N1255-N1281 PolarHBondContact OD1-ND2 3.47Å; N1255-N1281 PolarHBondContact OD1-OD1 2.92Å; Y1256-N1281 HydrophobicContact CD1-CB 4.49Å; Y1256-N1281 HydrophobicContact CE1-CB 3.58Å; Y1256-N1281 HydrophobicContact CE2-CB 3.74Å; Y1256-N1281 WeakPolarHBondContact OH-CB 3.27Å; I1258-N1281 WeakPolarHBondContact CD1-O 3.49Å; M1279-N1281 PolarHBondContact O-N 3.11Å; N1281-Y1284 PolarHBondContact O-N 2.78Å; N1281-Y1284 WeakPolarHBondContact OD1-CB 3.12Å; N1281-Y1284 VanDerWaalsContact OD1-CG 3.27Å; N1281-G1285 PolarHBondContact O-N 2.85Å; N1281-E1554 VanDerWaalsContact C-OE1 3.29Å; N1281-E1554 VanDerWaalsContact CA-CD 3.47Å; N1281-E1554 WeakPolarHBondContact CA-OE1 3.4Å; N1281-E1554 VanDerWaalsContact N-CD 3.29Å; N1281-E1554 PolarHBondContact N-OE1 3.14Å |
| 1282 | D | 89.3 | Confident | 90.3 | Very high | 2 Ų | 2 | 10.9 Ų | 10.9 | 1% | 0.011 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -56.3 | -50.8 | 167.7 | -72.2 | -12.5 | 0 | 0 | 0 | 111.1 | R1276 M1279 Y1284 G1285 V1286 A1327 E1554 | R1276-D1282 IonicContact CZ-OD2 2.69Å; R1276-D1282 IonicContact NH2-OD1 3.05Å; R1276-D1282 PolarHBondContact NH2-OD1 2.91Å; R1276-D1282 IonicContact NH2-OD2 3.94Å; R1276-D1282 PolarHBondContact NH2-OD2 3.37Å; M1279-D1282 WeakPolarHBondContact CB-OD1 3.31Å; M1279-D1282 PolarHBondContact N-OD2 2.84Å; D1282-Y1284 PolarHBondContact O-N 2.8Å; D1282-G1285 PolarHBondContact O-N 3.37Å; D1282-V1286 WeakPolarHBondContact O-CG2 3.21Å; D1282-V1286 PolarHBondContact O-N 2.86Å; D1282-A1327 HydrophobicContact CB-CB 4.27Å; D1282-E1554 PolarHBondContact N-OE1 3.16Å |
| 1283 | G | 90 | Very high | 90.6 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.7 | -40.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1143 L1287 D1331 E1554 | R1143-G1283 PolarHBondContact NH1-O 2.94Å; G1283-L1287 VanDerWaalsContact O-CB 3.29Å; G1283-L1287 WeakPolarHBondContact O-CB 3.4Å; G1283-L1287 PolarHBondContact O-N 2.87Å; G1283-L1287 VanDerWaalsContact O-N 3.11Å; G1283-D1331 WeakPolarHBondContact O-CB 3.1Å; G1283-E1554 PolarHBondContact N-OE1 2.73Å; G1283-E1554 PolarHBondContact N-OE2 2.84Å |
| 1284 | Y | 90.9 | Very high | 90.7 | Very high | 14 Ų | 14 | 9.6 Ų | 9.6 | 6% | 0.055 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 172.9 | -171.4 | -83.8 | 0 | 0 | 0 | 112.6 | R1143 D1211 L1212 F1213 N1255 N1281 D1282 L1287 C1288 E1554 | R1143-Y1284 HydrophobicContact CG-CD2 3.91Å; R1143-Y1284 HydrophobicContact CG-CE2 4.42Å; D1211-Y1284 PolarHBondContact OD1-OH 3.19Å; L1212-Y1284 HydrophobicContact CD2-CE1 4.41Å; F1213-Y1284 HydrophobicContact CB-CE2 3.72Å; F1213-Y1284 WeakPolarHBondContact CB-OH 3.25Å; F1213-Y1284 PolarHBondContact N-OH 3.43Å; F1213-Y1284 VanDerWaalsContact N-OH 3.1Å; N1255-Y1284 HydrophobicContact CB-CE1 3.84Å; N1281-Y1284 PolarHBondContact O-N 2.78Å; N1281-Y1284 WeakPolarHBondContact OD1-CB 3.12Å; N1281-Y1284 VanDerWaalsContact OD1-CG 3.27Å; D1282-Y1284 PolarHBondContact O-N 2.8Å; Y1284-L1287 PolarHBondContact O-N 3.25Å; Y1284-C1288 WeakPolarHBondContact CE1-SG 3.39Å; Y1284-C1288 WeakPolarHBondContact O-CB 3.41Å; Y1284-C1288 PolarHBondContact O-N 2.91Å; Y1284-C1288 PolarHBondContact O-SG 3.44Å; Y1284-E1554 PolarHBondContact N-OE2 3.49Å |
| 1285 | G | 92.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -65.8 | -44.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N1281 D1282 L1287 C1288 S1289 W1315 | N1281-G1285 PolarHBondContact O-N 2.85Å; D1282-G1285 PolarHBondContact O-N 3.37Å; G1285-L1287 VanDerWaalsContact C-N 3.32Å; G1285-L1287 PolarHBondContact O-N 3.44Å; G1285-C1288 PolarHBondContact O-N 2.98Å; G1285-S1289 WeakPolarHBondContact O-CB 3.46Å; G1285-S1289 PolarHBondContact O-N 2.86Å; G1285-S1289 PolarHBondContact O-OG 2.77Å; G1285-W1315 VanDerWaalsContact C-CH2 3.44Å |
| 1286 | V | 94 | Very high | 90.8 | Very high | 1 Ų | 1 | 8.6 Ų | 8.6 | 1% | 0.006 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -59.1 | -45.8 | 176.2 | 170.5 | 0 | 0 | 0 | 0 | 110.2 | D1282 S1290 W1315 L1316 E1319 F1326 D1331 A1335 | D1282-V1286 WeakPolarHBondContact O-CG2 3.21Å; D1282-V1286 PolarHBondContact O-N 2.86Å; V1286-S1290 VanDerWaalsContact O-CB 3.27Å; V1286-S1290 WeakPolarHBondContact O-CB 3.41Å; V1286-S1290 PolarHBondContact O-N 2.88Å; V1286-S1290 PolarHBondContact O-OG 2.97Å; V1286-W1315 HydrophobicContact CG2-CH2 4.28Å; V1286-W1315 HydrophobicContact CG2-CZ3 4.36Å; V1286-L1316 HydrophobicContact CB-CD2 4.49Å; V1286-L1316 HydrophobicContact CG1-CD2 3.98Å; V1286-E1319 HydrophobicContact CG2-CB 3.77Å; V1286-E1319 HydrophobicContact CG2-CG 4.36Å; V1286-F1326 HydrophobicContact CG1-CB 4.02Å; V1286-F1326 HydrophobicContact CG1-CD1 3.63Å; V1286-F1326 HydrophobicContact CG1-CE1 4.21Å; V1286-F1326 HydrophobicContact CG1-CG 3.86Å; V1286-F1326 HydrophobicContact CG2-CD1 4.09Å; V1286-D1331 HydrophobicContact CB-CB 4.2Å; V1286-D1331 HydrophobicContact CG1-CB 3.98Å; V1286-A1335 HydrophobicContact CG1-CB 3.96Å |
| 1287 | L | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63.9 | -51.8 | 179.1 | -178.6 | 62.2 | 0 | 0 | 0 | 112.5 | F1213 G1283 Y1284 G1285 S1289 S1290 I1291 F1330 D1331 F1334 | F1213-L1287 HydrophobicContact CD2-CD2 3.94Å; F1213-L1287 HydrophobicContact CD2-CG 4.38Å; F1213-L1287 HydrophobicContact CE2-CD2 3.34Å; F1213-L1287 HydrophobicContact CE2-CG 3.92Å; F1213-L1287 HydrophobicContact CZ-CD2 4.03Å; G1283-L1287 VanDerWaalsContact O-CB 3.29Å; G1283-L1287 WeakPolarHBondContact O-CB 3.4Å; G1283-L1287 PolarHBondContact O-N 2.87Å; G1283-L1287 VanDerWaalsContact O-N 3.11Å; Y1284-L1287 PolarHBondContact O-N 3.25Å; G1285-L1287 VanDerWaalsContact C-N 3.32Å; G1285-L1287 PolarHBondContact O-N 3.44Å; L1287-S1289 VanDerWaalsContact C-N 3.32Å; L1287-S1289 PolarHBondContact O-N 3.04Å; L1287-S1290 PolarHBondContact O-N 3.07Å; L1287-I1291 HydrophobicContact CD1-CD1 3.98Å; L1287-I1291 HydrophobicContact CD1-CG1 4.33Å; L1287-I1291 HydrophobicContact CG-CD1 3.98Å; L1287-I1291 WeakPolarHBondContact O-CG1 3.35Å; L1287-I1291 PolarHBondContact O-N 3.11Å; L1287-F1330 HydrophobicContact CD1-CD1 3.6Å; L1287-F1330 HydrophobicContact CD1-CE1 3.75Å; L1287-F1330 HydrophobicContact CD2-CD1 3.62Å; L1287-F1330 HydrophobicContact CD2-CE1 3.91Å; L1287-F1330 HydrophobicContact CG-CD1 4.27Å; L1287-F1330 HydrophobicContact CG-CE1 4.46Å; L1287-D1331 HydrophobicContact CB-CB 4.03Å; L1287-F1334 HydrophobicContact CD1-CB 3.72Å; L1287-F1334 HydrophobicContact CD1-CD1 4.46Å; L1287-F1334 HydrophobicContact CD1-CD2 3.78Å; L1287-F1334 HydrophobicContact CD1-CG 3.72Å |
| 1288 | C | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -59.8 | -43.9 | -179.5 | -73.5 | 0 | 0 | 0 | 0 | 111.8 | M1216 Y1253 Y1284 G1285 I1291 Y1292 | M1216-C1288 HydrophobicContact CE-CB 4.36Å; M1216-C1288 HydrophobicContact SD-CB 3.51Å; M1216-C1288 VanDerWaalsContact SD-CB 3.51Å; Y1253-C1288 WeakPolarHBondContact O-CB 3.33Å; Y1284-C1288 WeakPolarHBondContact CE1-SG 3.39Å; Y1284-C1288 WeakPolarHBondContact O-CB 3.41Å; Y1284-C1288 PolarHBondContact O-N 2.91Å; Y1284-C1288 PolarHBondContact O-SG 3.44Å; G1285-C1288 PolarHBondContact O-N 2.98Å; C1288-I1291 PolarHBondContact O-N 2.83Å; C1288-Y1292 WeakPolarHBondContact O-CB 3.35Å; C1288-Y1292 PolarHBondContact O-N 3.19Å |
| 1289 | S | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -64.1 | -41.7 | 176.4 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | Y1253 G1285 L1287 Y1292 F1293 M1312 W1315 | Y1253-S1289 PolarHBondContact N-OG 3.05Å; Y1253-S1289 PolarHBondContact O-OG 2.69Å; G1285-S1289 WeakPolarHBondContact O-CB 3.46Å; G1285-S1289 PolarHBondContact O-N 2.86Å; G1285-S1289 PolarHBondContact O-OG 2.77Å; L1287-S1289 VanDerWaalsContact C-N 3.32Å; L1287-S1289 PolarHBondContact O-N 3.04Å; S1289-Y1292 PolarHBondContact O-N 3.41Å; S1289-F1293 WeakPolarHBondContact O-CB 3Å; S1289-F1293 PolarHBondContact O-N 3.49Å; S1289-M1312 WeakPolarHBondContact O-CE 3.49Å; S1289-W1315 VanDerWaalsContact OG-CZ3 3.24Å; S1289-W1315 WeakPolarHBondContact OG-CZ3 3.4Å |
| 1290 | S | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.1 | -40.3 | 177.1 | -58.9 | 0 | 0 | 0 | 0 | 112.6 | V1286 L1287 F1293 L1294 A1335 | V1286-S1290 VanDerWaalsContact O-CB 3.27Å; V1286-S1290 WeakPolarHBondContact O-CB 3.41Å; V1286-S1290 PolarHBondContact O-N 2.88Å; V1286-S1290 PolarHBondContact O-OG 2.97Å; L1287-S1290 PolarHBondContact O-N 3.07Å; S1290-F1293 WeakPolarHBondContact O-CB 3.33Å; S1290-F1293 PolarHBondContact O-N 3.04Å; S1290-L1294 WeakPolarHBondContact O-CG 3.3Å; S1290-L1294 PolarHBondContact O-N 3.15Å; S1290-A1335 VanDerWaalsContact OG-CA 3.26Å; S1290-A1335 WeakPolarHBondContact OG-CA 3.23Å; S1290-A1335 WeakPolarHBondContact OG-CB 3.45Å |
| 1291 | I | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.9 | -44.4 | 175.9 | -67.6 | 168.9 | 0 | 0 | 0 | 110.8 | F1213 M1216 I1217 Y1220 L1287 C1288 F1293 L1294 L1295 F1334 | F1213-I1291 HydrophobicContact CD2-CD1 4.2Å; F1213-I1291 HydrophobicContact CE2-CD1 3.76Å; M1216-I1291 HydrophobicContact CB-CG2 4.06Å; I1217-I1291 HydrophobicContact CB-CD1 4.28Å; I1217-I1291 HydrophobicContact CG1-CD1 4.45Å; Y1220-I1291 HydrophobicContact CD1-CG2 4.42Å; Y1220-I1291 HydrophobicContact CG-CG2 4.17Å; L1287-I1291 HydrophobicContact CD1-CD1 3.98Å; L1287-I1291 HydrophobicContact CD1-CG1 4.33Å; L1287-I1291 HydrophobicContact CG-CD1 3.98Å; L1287-I1291 WeakPolarHBondContact O-CG1 3.35Å; L1287-I1291 PolarHBondContact O-N 3.11Å; C1288-I1291 PolarHBondContact O-N 2.83Å; I1291-F1293 VanDerWaalsContact C-N 3.28Å; I1291-F1293 PolarHBondContact O-N 2.83Å; I1291-L1294 PolarHBondContact O-N 3.03Å; I1291-L1295 WeakPolarHBondContact O-CB 3.31Å; I1291-L1295 PolarHBondContact O-N 2.69Å; I1291-F1334 HydrophobicContact CG1-CD1 3.8Å; I1291-F1334 HydrophobicContact CG1-CE1 4.06Å |
| 1292 | Y | 93.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.008 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 176.1 | -175.4 | -98.1 | 0 | 0 | 0 | 111.7 | M1216 L1238 I1241 Y1253 C1288 S1289 L1295 K1296 W1302 M1312 | M1216-Y1292 HydrophobicContact CE-CD2 4.25Å; M1216-Y1292 HydrophobicContact CE-CG 4.37Å; L1238-Y1292 HydrophobicContact CD2-CE2 4.16Å; I1241-Y1292 HydrophobicContact CG2-CD2 3.81Å; I1241-Y1292 HydrophobicContact CG2-CE2 3.99Å; Y1253-Y1292 AromaticContact CD2-CD1 3.82Å; Y1253-Y1292 HydrophobicContact CD2-CD1 3.82Å; Y1253-Y1292 HydrophobicContact CD2-CE1 4.35Å; Y1253-Y1292 AromaticContact CD2-CG 3.93Å; Y1253-Y1292 HydrophobicContact CD2-CG 3.93Å; Y1253-Y1292 HydrophobicContact CE1-CD2 4.47Å; Y1253-Y1292 HydrophobicContact CE1-CE2 4.36Å; Y1253-Y1292 AromaticContact CE2-CD1 3.26Å; Y1253-Y1292 HydrophobicContact CE2-CD1 3.26Å; Y1253-Y1292 HydrophobicContact CE2-CD2 4.19Å; Y1253-Y1292 AromaticContact CE2-CE1 3.36Å; Y1253-Y1292 HydrophobicContact CE2-CE1 3.36Å; Y1253-Y1292 HydrophobicContact CE2-CE2 4.28Å; Y1253-Y1292 AromaticContact CE2-CG 3.69Å; Y1253-Y1292 HydrophobicContact CE2-CG 3.69Å; Y1253-Y1292 AromaticContact CE2-CZ 3.88Å; Y1253-Y1292 AromaticContact CZ-CD1 3.87Å; Y1253-Y1292 AromaticContact CZ-CE1 3.59Å; Y1253-Y1292 AromaticContact CZ-CE2 3.88Å; Y1253-Y1292 AromaticContact CZ-CZ 3.59Å; Y1253-Y1292 WeakPolarHBondContact OH-CE1 3.41Å; Y1253-Y1292 PolarHBondContact OH-OH 2.89Å; C1288-Y1292 WeakPolarHBondContact O-CB 3.35Å; C1288-Y1292 PolarHBondContact O-N 3.19Å; S1289-Y1292 PolarHBondContact O-N 3.41Å; Y1292-L1295 PolarHBondContact O-N 3.28Å; Y1292-K1296 HydrophobicContact CD1-CG 4.19Å; Y1292-K1296 HydrophobicContact CE1-CG 3.74Å; Y1292-K1296 HydrophobicContact CE2-CG 4.32Å; Y1292-K1296 VanDerWaalsContact CZ-CE 3.48Å; Y1292-K1296 PolarHBondContact O-N 3.1Å; Y1292-K1296 WeakPolarHBondContact OH-CE 3.46Å; Y1292-W1302 AromaticContact CD1-CH2 3.73Å; Y1292-W1302 HydrophobicContact CD1-CH2 3.73Å; Y1292-W1302 HydrophobicContact CD1-CZ2 4.36Å; Y1292-W1302 AromaticContact CE1-CH2 3.58Å; Y1292-W1302 HydrophobicContact CE1-CH2 3.58Å; Y1292-W1302 AromaticContact CE1-CZ2 3.75Å; Y1292-W1302 HydrophobicContact CE1-CZ2 3.75Å; Y1292-M1312 HydrophobicContact CD1-CE 4.14Å; Y1292-M1312 HydrophobicContact CD1-SD 3.91Å; Y1292-M1312 HydrophobicContact CE1-SD 4.38Å |
| 1293 | F | 92.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 21.3 Ų | 21.3 | 1% | 0.013 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.9 | -50.9 | 174.9 | -174.3 | -75.8 | 0 | 0 | 0 | 111.8 | S1289 S1290 I1291 L1295 K1296 H1297 W1302 A1309 M1312 V1313 A1338 F1342 | S1289-F1293 WeakPolarHBondContact O-CB 3Å; S1289-F1293 PolarHBondContact O-N 3.49Å; S1290-F1293 WeakPolarHBondContact O-CB 3.33Å; S1290-F1293 PolarHBondContact O-N 3.04Å; I1291-F1293 VanDerWaalsContact C-N 3.28Å; I1291-F1293 PolarHBondContact O-N 2.83Å; F1293-L1295 PolarHBondContact O-N 2.9Å; F1293-K1296 PolarHBondContact O-N 3.03Å; F1293-H1297 WeakPolarHBondContact O-CB 2.94Å; F1293-H1297 PolarHBondContact O-N 3.3Å; F1293-W1302 HydrophobicContact CB-CZ3 4.11Å; F1293-W1302 AromaticContact CD2-CE3 3.94Å; F1293-W1302 HydrophobicContact CD2-CE3 3.94Å; F1293-W1302 AromaticContact CD2-CZ3 3.56Å; F1293-W1302 HydrophobicContact CD2-CZ3 3.56Å; F1293-W1302 HydrophobicContact CE2-CE3 4.11Å; F1293-W1302 HydrophobicContact CE2-CZ3 4.13Å; F1293-W1302 HydrophobicContact CG-CE3 4.34Å; F1293-W1302 AromaticContact CG-CZ3 3.99Å; F1293-W1302 HydrophobicContact CG-CZ3 3.99Å; F1293-A1309 HydrophobicContact CE2-CB 4.07Å; F1293-M1312 HydrophobicContact CB-CE 4.28Å; F1293-M1312 HydrophobicContact CD2-CB 4.28Å; F1293-V1313 HydrophobicContact CE2-CG2 3.83Å; F1293-V1313 HydrophobicContact CZ-CG2 4.35Å; F1293-A1338 HydrophobicContact CB-CB 4.49Å; F1293-A1338 HydrophobicContact CD1-CB 3.77Å; F1293-A1338 HydrophobicContact CE1-CB 4.44Å; F1293-A1338 HydrophobicContact CG-CB 4.33Å; F1293-F1342 HydrophobicContact CE1-CB 3.88Å; F1293-F1342 HydrophobicContact CE1-CD2 4.38Å; F1293-F1342 HydrophobicContact CE1-CG 4.39Å; F1293-F1342 HydrophobicContact CE2-CD2 4.32Å; F1293-F1342 HydrophobicContact CE2-CG 4.48Å; F1293-F1342 HydrophobicContact CZ-CB 3.6Å; F1293-F1342 HydrophobicContact CZ-CD1 4.47Å; F1293-F1342 AromaticContact CZ-CD2 3.49Å; F1293-F1342 HydrophobicContact CZ-CD2 3.49Å; F1293-F1342 VanDerWaalsContact CZ-CD2 3.49Å; F1293-F1342 HydrophobicContact CZ-CE2 4.2Å; F1293-F1342 AromaticContact CZ-CG 3.62Å; F1293-F1342 HydrophobicContact CZ-CG 3.62Å |
| 1294 | L | 91.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 176.4 | -72 | 165.3 | 0 | 0 | 0 | 111.3 | Y1220 S1290 I1291 K1296 H1297 E1298 F1334 A1338 K1341 | Y1220-L1294 HydrophobicContact CD2-CB 4.26Å; Y1220-L1294 HydrophobicContact CE2-CB 3.62Å; S1290-L1294 WeakPolarHBondContact O-CG 3.3Å; S1290-L1294 PolarHBondContact O-N 3.15Å; I1291-L1294 PolarHBondContact O-N 3.03Å; L1294-K1296 PolarHBondContact O-N 2.9Å; L1294-H1297 WeakPolarHBondContact O-CB 3.09Å; L1294-H1297 PolarHBondContact O-N 3.14Å; L1294-E1298 VanDerWaalsContact O-CG 3.3Å; L1294-E1298 WeakPolarHBondContact O-CG 3.42Å; L1294-E1298 PolarHBondContact O-N 3.43Å; L1294-F1334 HydrophobicContact CD1-CD1 3.94Å; L1294-A1338 HydrophobicContact CD1-CB 4.32Å; L1294-A1338 HydrophobicContact CD2-CB 4.09Å; L1294-A1338 HydrophobicContact CG-CB 3.87Å; L1294-K1341 HydrophobicContact CD2-CD 4.19Å |
| 1295 | L | 92 | Very high | 88.6 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.6 | -46.1 | 177.7 | 174.8 | 62.9 | 0 | 0 | 0 | 112 | T1219 Y1220 K1223 L1238 I1291 Y1292 F1293 E1298 L1299 | T1219-L1295 HydrophobicContact CG2-CD1 4.19Å; T1219-L1295 HydrophobicContact CG2-CD2 3.81Å; Y1220-L1295 HydrophobicContact CD2-CB 4.07Å; K1223-L1295 HydrophobicContact CB-CD1 3.8Å; K1223-L1295 HydrophobicContact CG-CD1 4.08Å; L1238-L1295 HydrophobicContact CD2-CD2 3.51Å; L1238-L1295 HydrophobicContact CD2-CG 4.23Å; L1238-L1295 HydrophobicContact CG-CD2 4.43Å; I1291-L1295 WeakPolarHBondContact O-CB 3.31Å; I1291-L1295 PolarHBondContact O-N 2.69Å; Y1292-L1295 PolarHBondContact O-N 3.28Å; F1293-L1295 PolarHBondContact O-N 2.9Å; L1295-E1298 PolarHBondContact O-N 3.25Å; L1295-L1299 HydrophobicContact CD1-CD1 4.17Å; L1295-L1299 HydrophobicContact CG-CD1 4.16Å; L1295-L1299 WeakPolarHBondContact O-CD1 3.32Å; L1295-L1299 VanDerWaalsContact O-CG 3.23Å; L1295-L1299 WeakPolarHBondContact O-CG 3.5Å; L1295-L1299 PolarHBondContact O-N 3.36Å |
| 1296 | K | 90.6 | Very high | 88.3 | Confident | 12 Ų | 12 | 32.5 Ų | 32.5 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.2 | -34.6 | 177.8 | -75.4 | -66.6 | -169.5 | -177.7 | 0 | 113.2 | Y1292 F1293 L1294 L1299 E1301 W1302 | Y1292-K1296 HydrophobicContact CD1-CG 4.19Å; Y1292-K1296 HydrophobicContact CE1-CG 3.74Å; Y1292-K1296 HydrophobicContact CE2-CG 4.32Å; Y1292-K1296 VanDerWaalsContact CZ-CE 3.48Å; Y1292-K1296 PolarHBondContact O-N 3.1Å; Y1292-K1296 WeakPolarHBondContact OH-CE 3.46Å; F1293-K1296 PolarHBondContact O-N 3.03Å; L1294-K1296 PolarHBondContact O-N 2.9Å; K1296-L1299 HydrophobicContact CD-CD1 4.38Å; K1296-L1299 PolarHBondContact O-N 2.89Å; K1296-E1301 VanDerWaalsContact CD-OE2 3.31Å; K1296-E1301 WeakPolarHBondContact CD-OE2 3.15Å; K1296-E1301 WeakPolarHBondContact CE-OE2 3.3Å; K1296-E1301 IonicContact NZ-OE1 3.41Å; K1296-E1301 IonicContact NZ-OE2 2.8Å; K1296-E1301 PolarHBondContact NZ-OE2 3.19Å; K1296-E1301 PolarHBondContact O-N 3.28Å; K1296-W1302 HydrophobicContact CB-CD2 3.44Å; K1296-W1302 VanDerWaalsContact CB-CD2 3.44Å; K1296-W1302 HydrophobicContact CB-CE3 3.65Å; K1296-W1302 HydrophobicContact CB-CG 3.86Å; K1296-W1302 HydrophobicContact CB-CH2 4.03Å; K1296-W1302 HydrophobicContact CB-CZ2 3.92Å; K1296-W1302 HydrophobicContact CB-CZ3 3.96Å; K1296-W1302 HydrophobicContact CD-CZ2 4.49Å; K1296-W1302 HydrophobicContact CG-CD2 4.16Å; K1296-W1302 HydrophobicContact CG-CE3 4.47Å; K1296-W1302 HydrophobicContact CG-CH2 3.97Å; K1296-W1302 HydrophobicContact CG-CZ2 3.71Å; K1296-W1302 HydrophobicContact CG-CZ3 4.41Å; K1296-W1302 PolarHBondContact O-N 3.05Å |
| 1297 | H | 88.4 | Confident | 87.9 | Confident | 51 Ų | 51 | 36.7 Ų | 36.7 | 24% | 0.236 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64 | -48 | 172.3 | -176.2 | 68.2 | 0 | 0 | 0 | 111.6 | F1293 L1294 L1299 G1300 | F1293-H1297 WeakPolarHBondContact O-CB 2.94Å; F1293-H1297 PolarHBondContact O-N 3.3Å; L1294-H1297 WeakPolarHBondContact O-CB 3.09Å; L1294-H1297 PolarHBondContact O-N 3.14Å; H1297-L1299 VanDerWaalsContact C-N 3.27Å; H1297-L1299 PolarHBondContact O-N 2.84Å; H1297-G1300 PolarHBondContact O-N 2.78Å |
| 1298 | E | 86.4 | Confident | 87.6 | Confident | 55 Ų | 55 | 39 Ų | 39 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.5 | -26.6 | 177.7 | -67.6 | -53.9 | 149 | 0 | 0 | 113.5 | Y1220 K1223 V1224 L1294 L1295 G1300 K1341 | Y1220-E1298 HydrophobicContact CE2-CG 3.91Å; K1223-E1298 WeakPolarHBondContact CE-O 3.41Å; K1223-E1298 HydrophobicContact CG-CB 4.03Å; K1223-E1298 PolarHBondContact NZ-O 3.25Å; K1223-E1298 VanDerWaalsContact NZ-O 3.1Å; V1224-E1298 HydrophobicContact CG2-CG 4.46Å; L1294-E1298 VanDerWaalsContact O-CG 3.3Å; L1294-E1298 WeakPolarHBondContact O-CG 3.42Å; L1294-E1298 PolarHBondContact O-N 3.43Å; L1295-E1298 PolarHBondContact O-N 3.25Å; E1298-G1300 PolarHBondContact O-N 3.33Å; E1298-K1341 IonicContact OE1-NZ 3.68Å; E1298-K1341 PolarHBondContact OE1-NZ 3.06Å |
| 1299 | L | 87.2 | Confident | 87.3 | Confident | 49 Ų | 49 | 39 Ų | 39 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -12.4 | 172.4 | -73.2 | 164 | 0 | 0 | 0 | 112.7 | K1223 L1238 L1295 K1296 H1297 E1301 | K1223-L1299 HydrophobicContact CD-CD2 3.79Å; K1223-L1299 HydrophobicContact CD-CG 4.32Å; K1223-L1299 HydrophobicContact CG-CD2 4.36Å; K1223-L1299 HydrophobicContact CG-CG 4.46Å; L1238-L1299 HydrophobicContact CD1-CD1 3.75Å; L1295-L1299 HydrophobicContact CD1-CD1 4.17Å; L1295-L1299 HydrophobicContact CG-CD1 4.16Å; L1295-L1299 WeakPolarHBondContact O-CD1 3.32Å; L1295-L1299 VanDerWaalsContact O-CG 3.23Å; L1295-L1299 WeakPolarHBondContact O-CG 3.5Å; L1295-L1299 PolarHBondContact O-N 3.36Å; K1296-L1299 HydrophobicContact CD-CD1 4.38Å; K1296-L1299 PolarHBondContact O-N 2.89Å; H1297-L1299 VanDerWaalsContact C-N 3.27Å; H1297-L1299 PolarHBondContact O-N 2.84Å; L1299-E1301 HydrophobicContact CB-CG 4.16Å; L1299-E1301 PolarHBondContact O-N 2.89Å |
| 1300 | G | 84.5 | Confident | 87.1 | Confident | 66 Ų | 66 | 40.4 Ų | 40.4 | 68% | 0.68 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 7.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | H1297 E1298 | H1297-G1300 PolarHBondContact O-N 2.78Å; E1298-G1300 PolarHBondContact O-N 3.33Å |
| 1301 | E | 83.3 | Confident | 86.9 | Confident | 109 Ų | 109 | 42.6 Ų | 42.6 | 51% | 0.509 | 23% | 0.23 | S | C | . | . | trans | -75.9 | -31 | 179.3 | -69.5 | -178.6 | -165.2 | 0 | 0 | 111.7 | K1296 L1299 | K1296-E1301 VanDerWaalsContact CD-OE2 3.31Å; K1296-E1301 WeakPolarHBondContact CD-OE2 3.15Å; K1296-E1301 WeakPolarHBondContact CE-OE2 3.3Å; K1296-E1301 IonicContact NZ-OE1 3.41Å; K1296-E1301 IonicContact NZ-OE2 2.8Å; K1296-E1301 PolarHBondContact NZ-OE2 3.19Å; K1296-E1301 PolarHBondContact O-N 3.28Å; L1299-E1301 HydrophobicContact CB-CG 4.16Å; L1299-E1301 PolarHBondContact O-N 2.89Å | ||
| 1302 | W | 82.8 | Confident | 86.8 | Confident | 19 Ų | 19 | 42.6 Ų | 42.6 | 7% | 0.072 | 23% | 0.23 | C | C | . | . | trans | -103.6 | 117.9 | -179.1 | -73.9 | 2.5 | 0 | 0 | 0 | 112.5 | Y1292 F1293 K1296 E1308 A1309 M1312 | Y1292-W1302 AromaticContact CD1-CH2 3.73Å; Y1292-W1302 HydrophobicContact CD1-CH2 3.73Å; Y1292-W1302 HydrophobicContact CD1-CZ2 4.36Å; Y1292-W1302 AromaticContact CE1-CH2 3.58Å; Y1292-W1302 HydrophobicContact CE1-CH2 3.58Å; Y1292-W1302 AromaticContact CE1-CZ2 3.75Å; Y1292-W1302 HydrophobicContact CE1-CZ2 3.75Å; F1293-W1302 HydrophobicContact CB-CZ3 4.11Å; F1293-W1302 AromaticContact CD2-CE3 3.94Å; F1293-W1302 HydrophobicContact CD2-CE3 3.94Å; F1293-W1302 AromaticContact CD2-CZ3 3.56Å; F1293-W1302 HydrophobicContact CD2-CZ3 3.56Å; F1293-W1302 HydrophobicContact CE2-CE3 4.11Å; F1293-W1302 HydrophobicContact CE2-CZ3 4.13Å; F1293-W1302 HydrophobicContact CG-CE3 4.34Å; F1293-W1302 AromaticContact CG-CZ3 3.99Å; F1293-W1302 HydrophobicContact CG-CZ3 3.99Å; K1296-W1302 HydrophobicContact CB-CD2 3.44Å; K1296-W1302 VanDerWaalsContact CB-CD2 3.44Å; K1296-W1302 HydrophobicContact CB-CE3 3.65Å; K1296-W1302 HydrophobicContact CB-CG 3.86Å; K1296-W1302 HydrophobicContact CB-CH2 4.03Å; K1296-W1302 HydrophobicContact CB-CZ2 3.92Å; K1296-W1302 HydrophobicContact CB-CZ3 3.96Å; K1296-W1302 HydrophobicContact CD-CZ2 4.49Å; K1296-W1302 HydrophobicContact CG-CD2 4.16Å; K1296-W1302 HydrophobicContact CG-CE3 4.47Å; K1296-W1302 HydrophobicContact CG-CH2 3.97Å; K1296-W1302 HydrophobicContact CG-CZ2 3.71Å; K1296-W1302 HydrophobicContact CG-CZ3 4.41Å; K1296-W1302 PolarHBondContact O-N 3.05Å; W1302-E1308 HydrophobicContact CH2-CG 4.41Å; W1302-E1308 HydrophobicContact CZ2-CB 4.23Å; W1302-E1308 HydrophobicContact CZ2-CG 3.77Å; W1302-A1309 HydrophobicContact CB-CB 4.39Å; W1302-A1309 HydrophobicContact CD2-CB 3.88Å; W1302-A1309 HydrophobicContact CE3-CB 3.69Å; W1302-A1309 HydrophobicContact CG-CB 4.19Å; W1302-A1309 HydrophobicContact CZ3-CB 4.35Å; W1302-M1312 HydrophobicContact CH2-CG 4.46Å; W1302-M1312 HydrophobicContact CH2-SD 3.26Å; W1302-M1312 WeakPolarHBondContact CH2-SD 3.46Å; W1302-M1312 HydrophobicContact CZ2-SD 4.34Å; W1302-M1312 HydrophobicContact CZ3-SD 3.72Å | ||
| 1303 | S | 75.7 | Confident | 86.6 | Confident | 65 Ų | 65 | 42.5 Ų | 42.5 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | trans | -100.2 | 169.3 | 162.5 | 66.6 | 0 | 0 | 0 | 0 | 110.4 | R1305 S1306 | S1303-R1305 PolarHBondContact O-N 3.47Å; S1303-S1306 WeakPolarHBondContact O-CB 3.49Å; S1303-S1306 PolarHBondContact O-N 3.29Å | ||
| 1304 | F | 76.4 | Confident | 86.6 | Confident | 30 Ų | 30 | 43.9 Ų | 43.9 | 13% | 0.132 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -11.5 | 175.7 | 70.8 | -89 | 0 | 0 | 0 | 114.7 | F1342 A1345 T1347 | F1304-F1342 HydrophobicContact CB-CE2 4.25Å; F1304-A1345 WeakPolarHBondContact CD1-O 3.44Å; F1304-T1347 HydrophobicContact CE1-CG2 4.48Å; F1304-T1347 WeakPolarHBondContact CZ-OG1 3.08Å |
| 1305 | R | 77.6 | Confident | 86.6 | Confident | 195 Ų | 195 | 44.3 Ų | 44.3 | 74% | 0.736 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -7.3 | 177.3 | -58.4 | -176.9 | -177.7 | 180 | -1.1 | 113.7 | S1303 S1307 | S1303-R1305 PolarHBondContact O-N 3.47Å; R1305-S1307 PolarHBondContact O-N 3.36Å |
| 1306 | S | 86.1 | Confident | 86.6 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 18% | 0.175 | 24% | 0.238 | C | C | . | . | trans | -66.7 | 122.3 | 179.6 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | S1303 E1308 A1309 L1310 | S1303-S1306 WeakPolarHBondContact O-CB 3.49Å; S1303-S1306 PolarHBondContact O-N 3.29Å; S1306-E1308 VanDerWaalsContact C-N 3.3Å; S1306-E1308 PolarHBondContact O-N 3.36Å; S1306-A1309 PolarHBondContact O-N 2.86Å; S1306-L1310 PolarHBondContact O-N 2.81Å; S1306-L1310 VanDerWaalsContact O-N 3.13Å | ||
| 1307 | S | 86.3 | Confident | 86.5 | Confident | 89 Ų | 89 | 43.9 Ų | 43.9 | 62% | 0.622 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -62.1 | -38.1 | 179.2 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | R1305 A1309 L1310 D1311 | R1305-S1307 PolarHBondContact O-N 3.36Å; S1307-A1309 VanDerWaalsContact C-N 3.33Å; S1307-A1309 PolarHBondContact O-N 2.05Å; S1307-L1310 PolarHBondContact O-N 2.82Å; S1307-D1311 PolarHBondContact O-N 3.43Å |
| 1308 | E | 87.8 | Confident | 86.6 | Confident | 48 Ų | 48 | 42.3 Ų | 42.3 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.1 | -35.3 | 178.1 | -169.7 | 174.2 | -150.1 | 0 | 0 | 112 | R1245 W1302 S1306 L1310 D1311 M1312 | R1245-E1308 IonicContact NE-OE1 2.72Å; W1302-E1308 HydrophobicContact CH2-CG 4.41Å; W1302-E1308 HydrophobicContact CZ2-CB 4.23Å; W1302-E1308 HydrophobicContact CZ2-CG 3.77Å; S1306-E1308 VanDerWaalsContact C-N 3.3Å; S1306-E1308 PolarHBondContact O-N 3.36Å; E1308-L1310 VanDerWaalsContact C-N 3.34Å; E1308-D1311 PolarHBondContact O-N 2.78Å; E1308-M1312 PolarHBondContact O-N 3.11Å; E1308-M1312 VanDerWaalsContact O-N 3.1Å |
| 1309 | A | 88.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.6 | -40.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | F1293 W1302 S1306 S1307 M1312 V1313 F1342 | F1293-A1309 HydrophobicContact CE2-CB 4.07Å; W1302-A1309 HydrophobicContact CB-CB 4.39Å; W1302-A1309 HydrophobicContact CD2-CB 3.88Å; W1302-A1309 HydrophobicContact CE3-CB 3.69Å; W1302-A1309 HydrophobicContact CG-CB 4.19Å; W1302-A1309 HydrophobicContact CZ3-CB 4.35Å; S1306-A1309 PolarHBondContact O-N 2.86Å; S1307-A1309 VanDerWaalsContact C-N 3.33Å; S1307-A1309 PolarHBondContact O-N 2.05Å; A1309-M1312 PolarHBondContact O-N 2.73Å; A1309-V1313 VanDerWaalsContact O-CG2 3.3Å; A1309-V1313 WeakPolarHBondContact O-CG2 3.48Å; A1309-V1313 PolarHBondContact O-N 2.77Å; A1309-F1342 HydrophobicContact CB-CE2 4.1Å |
| 1310 | L | 88.3 | Confident | 86.8 | Confident | 29 Ų | 29 | 37.6 Ų | 37.6 | 15% | 0.152 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.4 | -45.1 | 175.2 | -71 | 168.1 | 0 | 0 | 0 | 111.9 | S1306 S1307 E1308 M1312 V1313 H1314 F1342 R1403 | S1306-L1310 PolarHBondContact O-N 2.81Å; S1306-L1310 VanDerWaalsContact O-N 3.13Å; S1307-L1310 PolarHBondContact O-N 2.82Å; E1308-L1310 VanDerWaalsContact C-N 3.34Å; L1310-M1312 PolarHBondContact O-N 2.75Å; L1310-V1313 PolarHBondContact O-N 3Å; L1310-H1314 PolarHBondContact O-CD2 3.19Å; L1310-H1314 PolarHBondContact O-N 3.17Å; L1310-F1342 HydrophobicContact CD2-CE1 4.2Å; L1310-F1342 HydrophobicContact CD2-CZ 3.81Å; L1310-F1342 HydrophobicContact CG-CZ 4.43Å; L1310-R1403 VanDerWaalsContact CD2-NH2 3.25Å |
| 1311 | D | 90.3 | Very high | 86.9 | Confident | 46 Ų | 46 | 36 Ų | 36 | 25% | 0.246 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53.6 | -44.6 | 174.9 | -74.8 | -5 | 0 | 0 | 0 | 110.7 | Y1250 V1251 S1307 E1308 H1314 W1315 | Y1250-D1311 WeakPolarHBondContact CB-O 3.43Å; V1251-D1311 HydrophobicContact CB-CB 4.36Å; V1251-D1311 HydrophobicContact CG2-CB 4.29Å; S1307-D1311 PolarHBondContact O-N 3.43Å; E1308-D1311 PolarHBondContact O-N 2.78Å; D1311-H1314 WeakPolarHBondContact O-CB 3.33Å; D1311-H1314 PolarHBondContact O-N 3.38Å; D1311-W1315 PolarHBondContact O-N 2.78Å |
| 1312 | M | 91.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.5 | -35.2 | 177.9 | -73.7 | -170.1 | 68.3 | 0 | 0 | 113.6 | V1251 Y1253 S1289 Y1292 F1293 W1302 E1308 A1309 L1310 W1315 L1316 | V1251-M1312 HydrophobicContact CB-CG 4.44Å; V1251-M1312 WeakPolarHBondContact O-CG 3.34Å; Y1253-M1312 HydrophobicContact CD2-CE 4.25Å; Y1253-M1312 HydrophobicContact CE2-SD 4.38Å; S1289-M1312 WeakPolarHBondContact O-CE 3.49Å; Y1292-M1312 HydrophobicContact CD1-CE 4.14Å; Y1292-M1312 HydrophobicContact CD1-SD 3.91Å; Y1292-M1312 HydrophobicContact CE1-SD 4.38Å; F1293-M1312 HydrophobicContact CB-CE 4.28Å; F1293-M1312 HydrophobicContact CD2-CB 4.28Å; W1302-M1312 HydrophobicContact CH2-CG 4.46Å; W1302-M1312 HydrophobicContact CH2-SD 3.26Å; W1302-M1312 WeakPolarHBondContact CH2-SD 3.46Å; W1302-M1312 HydrophobicContact CZ2-SD 4.34Å; W1302-M1312 HydrophobicContact CZ3-SD 3.72Å; E1308-M1312 PolarHBondContact O-N 3.11Å; E1308-M1312 VanDerWaalsContact O-N 3.1Å; A1309-M1312 PolarHBondContact O-N 2.73Å; L1310-M1312 PolarHBondContact O-N 2.75Å; M1312-W1315 PolarHBondContact O-N 2.78Å; M1312-L1316 WeakPolarHBondContact O-CB 3.49Å; M1312-L1316 WeakPolarHBondContact O-CG 3.05Å; M1312-L1316 PolarHBondContact O-N 3.19Å |
| 1313 | V | 90.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.1 | -40.1 | 174.9 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | F931 F978 F1293 A1309 L1310 W1315 L1316 A1317 L1339 F1342 | F931-V1313 HydrophobicContact CD1-CG1 4.2Å; F931-V1313 HydrophobicContact CE1-CG1 4.02Å; F931-V1313 HydrophobicContact CZ-CG1 4.47Å; F978-V1313 HydrophobicContact CB-CG1 3.93Å; F978-V1313 HydrophobicContact CD2-CG1 4.34Å; F978-V1313 HydrophobicContact CG-CG1 4.04Å; F1293-V1313 HydrophobicContact CE2-CG2 3.83Å; F1293-V1313 HydrophobicContact CZ-CG2 4.35Å; A1309-V1313 VanDerWaalsContact O-CG2 3.3Å; A1309-V1313 WeakPolarHBondContact O-CG2 3.48Å; A1309-V1313 PolarHBondContact O-N 2.77Å; L1310-V1313 PolarHBondContact O-N 3Å; V1313-W1315 VanDerWaalsContact C-N 3.31Å; V1313-W1315 PolarHBondContact O-N 3.03Å; V1313-L1316 PolarHBondContact O-N 3.42Å; V1313-A1317 VanDerWaalsContact O-CB 3.24Å; V1313-A1317 WeakPolarHBondContact O-CB 3.39Å; V1313-A1317 PolarHBondContact O-N 2.75Å; V1313-L1339 HydrophobicContact CG1-CD2 4.24Å; V1313-L1339 HydrophobicContact CG2-CD2 4.21Å; V1313-F1342 HydrophobicContact CB-CE1 4.4Å; V1313-F1342 HydrophobicContact CG1-CE1 4.39Å; V1313-F1342 HydrophobicContact CG2-CD1 3.66Å; V1313-F1342 HydrophobicContact CG2-CE1 3.7Å; V1313-F1342 HydrophobicContact CG2-CG 4.33Å; V1313-F1342 HydrophobicContact CG2-CZ 4.27Å |
| 1314 | H | 91.1 | Very high | 87.4 | Confident | 32 Ų | 32 | 29.2 Ų | 29.2 | 15% | 0.148 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.6 | -44.5 | 171.1 | -80.5 | -75.7 | 0 | 0 | 0 | 111.3 | F931 Y1250 L1310 D1311 S1318 | F931-H1314 AromaticContact CD1-CE1 3.35Å; F931-H1314 WeakPolarHBondContact CD1-CE1 3.48Å; F931-H1314 AromaticContact CD1-CG 3.74Å; F931-H1314 AromaticContact CD1-ND1 3.32Å; F931-H1314 VanDerWaalsContact CD1-ND1 3.32Å; F931-H1314 WeakPolarHBondContact CD1-ND1 3.47Å; F931-H1314 AromaticContact CD1-NE2 3.81Å; F931-H1314 AromaticContact CE1-CE1 3.83Å; F931-H1314 AromaticContact CE1-NE2 3.92Å; F931-H1314 PolarHBondContact O-CE1 3.12Å; F931-H1314 PolarHBondContact O-ND1 3.25Å; Y1250-H1314 HydrophobicContact CD1-CB 3.52Å; Y1250-H1314 HydrophobicContact CD2-CB 4.04Å; Y1250-H1314 HydrophobicContact CE1-CB 3.37Å; Y1250-H1314 AromaticContact CE1-CG 3.68Å; Y1250-H1314 HydrophobicContact CE2-CB 3.91Å; Y1250-H1314 HydrophobicContact CG-CB 3.87Å; Y1250-H1314 AromaticContact CZ-CG 3.97Å; L1310-H1314 PolarHBondContact O-CD2 3.19Å; L1310-H1314 PolarHBondContact O-N 3.17Å; D1311-H1314 WeakPolarHBondContact O-CB 3.33Å; D1311-H1314 PolarHBondContact O-N 3.38Å; H1314-S1318 PolarHBondContact O-N 3.35Å; H1314-S1318 VanDerWaalsContact O-N 3.11Å |
| 1315 | W | 92.3 | Very high | 87.7 | Confident | 10 Ų | 10 | 27.8 Ų | 27.8 | 4% | 0.038 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -55 | 176.5 | -171.7 | 68.4 | 0 | 0 | 0 | 111.8 | Y1250 Y1252 I1258 G1285 V1286 S1289 D1311 M1312 V1313 A1317 S1318 E1319 | Y1250-W1315 HydrophobicContact CG-CB 4.4Å; Y1252-W1315 VanDerWaalsContact CB-CE2 3.45Å; Y1252-W1315 AromaticContact CD1-CD1 3.8Å; Y1252-W1315 HydrophobicContact CD1-CD2 4.25Å; Y1252-W1315 AromaticContact CD1-CE2 3.77Å; Y1252-W1315 HydrophobicContact CD1-CG 4.24Å; Y1252-W1315 HydrophobicContact CD1-CZ2 4.35Å; Y1252-W1315 AromaticContact CD1-NE1 3.53Å; Y1252-W1315 AromaticContact CD2-CE2 4Å; Y1252-W1315 HydrophobicContact CD2-CH2 4.27Å; Y1252-W1315 AromaticContact CD2-CZ2 3.75Å; Y1252-W1315 HydrophobicContact CD2-CZ2 3.75Å; Y1252-W1315 HydrophobicContact CE2-CZ2 4.39Å; Y1252-W1315 AromaticContact CG-CD2 3.9Å; Y1252-W1315 HydrophobicContact CG-CD2 3.9Å; Y1252-W1315 AromaticContact CG-CE2 3.48Å; Y1252-W1315 VanDerWaalsContact CG-CE2 3.48Å; Y1252-W1315 HydrophobicContact CG-CE3 4.48Å; Y1252-W1315 HydrophobicContact CG-CG 4.31Å; Y1252-W1315 HydrophobicContact CG-CH2 4.35Å; Y1252-W1315 AromaticContact CG-CZ2 3.74Å; Y1252-W1315 HydrophobicContact CG-CZ2 3.74Å; Y1252-W1315 AromaticContact CG-NE1 3.77Å; I1258-W1315 HydrophobicContact CD1-CH2 4.24Å; I1258-W1315 HydrophobicContact CD1-CZ2 3.89Å; G1285-W1315 VanDerWaalsContact C-CH2 3.44Å; V1286-W1315 HydrophobicContact CG2-CH2 4.28Å; V1286-W1315 HydrophobicContact CG2-CZ3 4.36Å; S1289-W1315 VanDerWaalsContact OG-CZ3 3.24Å; S1289-W1315 WeakPolarHBondContact OG-CZ3 3.4Å; D1311-W1315 PolarHBondContact O-N 2.78Å; M1312-W1315 PolarHBondContact O-N 2.78Å; V1313-W1315 VanDerWaalsContact C-N 3.31Å; V1313-W1315 PolarHBondContact O-N 3.03Å; W1315-A1317 VanDerWaalsContact C-N 3.27Å; W1315-A1317 PolarHBondContact O-N 3.22Å; W1315-S1318 WeakPolarHBondContact O-CA 3.35Å; W1315-S1318 PolarHBondContact O-N 2.85Å; W1315-S1318 PolarHBondContact O-OG 3.35Å; W1315-E1319 HydrophobicContact CD2-CG 3.83Å; W1315-E1319 VanDerWaalsContact CE2-CG 3.45Å; W1315-E1319 HydrophobicContact CE3-CG 4.16Å; W1315-E1319 HydrophobicContact CG-CG 4.43Å; W1315-E1319 HydrophobicContact CH2-CG 3.85Å; W1315-E1319 HydrophobicContact CZ2-CG 3.49Å; W1315-E1319 VanDerWaalsContact CZ2-CG 3.49Å; W1315-E1319 HydrophobicContact CZ3-CG 4.16Å; W1315-E1319 PolarHBondContact NE1-OE1 3.32Å; W1315-E1319 WeakPolarHBondContact O-CG 3.34Å; W1315-E1319 PolarHBondContact O-N 3.27Å; W1315-E1319 VanDerWaalsContact O-N 3.1Å |
| 1316 | L | 92 | Very high | 88.3 | Confident | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -54.9 | -42.9 | 178.4 | -73.5 | 173.4 | 0 | 0 | 0 | 111.7 | V1286 M1312 V1313 S1318 E1319 F1326 L1339 | V1286-L1316 HydrophobicContact CB-CD2 4.49Å; V1286-L1316 HydrophobicContact CG1-CD2 3.98Å; M1312-L1316 WeakPolarHBondContact O-CB 3.49Å; M1312-L1316 WeakPolarHBondContact O-CG 3.05Å; M1312-L1316 PolarHBondContact O-N 3.19Å; V1313-L1316 PolarHBondContact O-N 3.42Å; L1316-S1318 VanDerWaalsContact C-N 3.29Å; L1316-S1318 PolarHBondContact O-N 3.04Å; L1316-E1319 PolarHBondContact O-N 2.87Å; L1316-F1326 HydrophobicContact CB-CE1 4.2Å; L1316-F1326 HydrophobicContact CD2-CE1 4.4Å; L1316-F1326 VanDerWaalsContact O-CE1 3.23Å; L1316-F1326 WeakPolarHBondContact O-CE1 3.29Å; L1316-L1339 HydrophobicContact CD1-CD2 4.35Å |
| 1317 | A | 89.7 | Confident | 88.5 | Confident | 3 Ų | 3 | 17.6 Ų | 17.6 | 3% | 0.025 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.9 | -37.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A929 F931 V1313 W1315 E1319 L1405 | A929-A1317 WeakPolarHBondContact CB-O 3.08Å; F931-A1317 HydrophobicContact CB-CB 3.52Å; F931-A1317 HydrophobicContact CG-CB 4.28Å; V1313-A1317 VanDerWaalsContact O-CB 3.24Å; V1313-A1317 WeakPolarHBondContact O-CB 3.39Å; V1313-A1317 PolarHBondContact O-N 2.75Å; W1315-A1317 VanDerWaalsContact C-N 3.27Å; W1315-A1317 PolarHBondContact O-N 3.22Å; A1317-E1319 VanDerWaalsContact C-N 3.35Å; A1317-L1405 HydrophobicContact CB-CD1 3.82Å |
| 1318 | S | 88.9 | Confident | 88.6 | Confident | 18 Ų | 18 | 13.4 Ų | 13.4 | 13% | 0.126 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -74.1 | -21.5 | 177.5 | 72.9 | 0 | 0 | 0 | 0 | 114.2 | R1276 H1314 W1315 L1316 R1320 | R1276-S1318 WeakPolarHBondContact CD-O 3.26Å; H1314-S1318 PolarHBondContact O-N 3.35Å; H1314-S1318 VanDerWaalsContact O-N 3.11Å; W1315-S1318 WeakPolarHBondContact O-CA 3.35Å; W1315-S1318 PolarHBondContact O-N 2.85Å; W1315-S1318 PolarHBondContact O-OG 3.35Å; L1316-S1318 VanDerWaalsContact C-N 3.29Å; L1316-S1318 PolarHBondContact O-N 3.04Å; S1318-R1320 VanDerWaalsContact C-N 3.34Å |
| 1319 | E | 90 | Very high | 88.7 | Confident | 4 Ų | 4 | 11.1 Ų | 11.1 | 2% | 0.019 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 5.8 | -179.1 | -61.8 | -63.7 | 139.6 | 0 | 0 | 113.8 | R1276 V1286 W1315 L1316 A1317 | R1276-E1319 IonicContact CZ-OE2 3.18Å; R1276-E1319 IonicContact NE-OE1 2.72Å; R1276-E1319 IonicContact NE-OE2 3.17Å; R1276-E1319 PolarHBondContact NE-OE2 3.36Å; R1276-E1319 PolarHBondContact NH1-O 2.64Å; R1276-E1319 VanDerWaalsContact NH1-O 3.17Å; R1276-E1319 IonicContact NH2-OE2 3.41Å; R1276-E1319 PolarHBondContact NH2-OE2 3.09Å; V1286-E1319 HydrophobicContact CG2-CB 3.77Å; V1286-E1319 HydrophobicContact CG2-CG 4.36Å; W1315-E1319 HydrophobicContact CD2-CG 3.83Å; W1315-E1319 VanDerWaalsContact CE2-CG 3.45Å; W1315-E1319 HydrophobicContact CE3-CG 4.16Å; W1315-E1319 HydrophobicContact CG-CG 4.43Å; W1315-E1319 HydrophobicContact CH2-CG 3.85Å; W1315-E1319 HydrophobicContact CZ2-CG 3.49Å; W1315-E1319 VanDerWaalsContact CZ2-CG 3.49Å; W1315-E1319 HydrophobicContact CZ3-CG 4.16Å; W1315-E1319 PolarHBondContact NE1-OE1 3.32Å; W1315-E1319 WeakPolarHBondContact O-CG 3.34Å; W1315-E1319 PolarHBondContact O-N 3.27Å; W1315-E1319 VanDerWaalsContact O-N 3.1Å; L1316-E1319 PolarHBondContact O-N 2.87Å; A1317-E1319 VanDerWaalsContact C-N 3.35Å |
| 1320 | R | 89.2 | Confident | 88.7 | Confident | 1 Ų | 1 | 11.2 Ų | 11.2 | 0% | 0.004 | 6% | 0.06 | C | C | . | . | trans | -66.2 | 135.9 | 173.6 | -68.9 | -179.2 | 177 | -126.3 | -0.3 | 110.3 | H927 F978 I979 S1318 V1323 A1324 F1326 | H927-R1320 PolarHBondContact CD2-O 2.91Å; F978-R1320 PolarHBondContact O-NH2 3.46Å; I979-R1320 PolarHBondContact O-NH2 3.06Å; S1318-R1320 VanDerWaalsContact C-N 3.34Å; R1320-V1323 PolarHBondContact NH1-O 3.23Å; R1320-A1324 PolarHBondContact NH1-O 3.43Å; R1320-F1326 HydrophobicContact CG-CD1 4.14Å; R1320-F1326 HydrophobicContact CG-CE1 3.96Å; R1320-F1326 HydrophobicContact CG-CZ 4.3Å | ||
| 1321 | N | 86.8 | Confident | 88.9 | Confident | 33 Ų | 33 | 9.8 Ų | 9.8 | 18% | 0.176 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -93.6 | -19.8 | 174.8 | -71.8 | -15.6 | 0 | 0 | 0 | 112.3 | H927 R1276 G1325 F1326 A1327 | H927-N1321 VanDerWaalsContact CB-O 3.28Å; H927-N1321 WeakPolarHBondContact CB-O 3.44Å; R1276-N1321 PolarHBondContact NH1-OD1 3.1Å; N1321-G1325 PolarHBondContact N-O 3.32Å; N1321-F1326 WeakPolarHBondContact CB-O 3.36Å; N1321-F1326 PolarHBondContact ND2-O 3.48Å; N1321-A1327 WeakPolarHBondContact ND2-CA 3.4Å |
| 1322 | H | 86.8 | Confident | 89 | Confident | 30 Ų | 30 | 7.6 Ų | 7.6 | 14% | 0.139 | 4% | 0.041 | C | C | . | . | S | Bend | trans | -147.5 | 169.7 | -180 | -170.5 | -122.6 | 0 | 0 | 0 | 109.5 | N994 I995 R997 A1324 G1325 D1409 | N994-H1322 PolarHBondContact O-CE1 3.02Å; N994-H1322 PolarHBondContact O-ND1 3.1Å; I995-H1322 WeakPolarHBondContact O-CB 3.06Å; I995-H1322 PolarHBondContact O-ND1 2.98Å; R997-H1322 PolarHBondContact NE-CD2 2.85Å; R997-H1322 VanDerWaalsContact NE-CD2 3.28Å; R997-H1322 PolarHBondContact NE-NE2 3.43Å; R997-H1322 PolarHBondContact NH2-CD2 3.48Å; R997-H1322 PolarHBondContact NH2-NE2 2.95Å; H1322-A1324 PolarHBondContact O-N 3.41Å; H1322-A1324 VanDerWaalsContact O-N 3.09Å; H1322-G1325 PolarHBondContact N-O 2.65Å; H1322-D1409 IonicContact CD2-OD1 2.74Å; H1322-D1409 IonicContact CD2-OD2 3.48Å; H1322-D1409 PolarHBondContact CD2-OD2 3.33Å; H1322-D1409 IonicContact NE2-OD2 3.68Å |
| 1323 | V | 82.8 | Confident | 89 | Confident | 14 Ų | 14 | 7.7 Ų | 7.7 | 9% | 0.085 | 4% | 0.042 | C | C | . | . | S | Bend | trans | -46.2 | -48.4 | -175.8 | -168.2 | 0 | 0 | 0 | 0 | 112.8 | P981 R1320 Q1407 D1409 | P981-V1323 HydrophobicContact CB-CG1 4.37Å; P981-V1323 WeakPolarHBondContact CD-O 3.33Å; P981-V1323 HydrophobicContact CG-CB 4.47Å; P981-V1323 HydrophobicContact CG-CG1 3.69Å; R1320-V1323 PolarHBondContact NH1-O 3.23Å; V1323-Q1407 PolarHBondContact O-NE2 3.4Å; V1323-Q1407 PolarHBondContact O-OE1 2.85Å; V1323-Q1407 VanDerWaalsContact O-OE1 3.08Å; V1323-D1409 WeakPolarHBondContact CG2-OD2 3.37Å |
| 1324 | A | 81.7 | Confident | 89.1 | Confident | 5 Ų | 5 | 7.7 Ų | 7.7 | 4% | 0.041 | 4% | 0.042 | C | C | . | . | S | Bend | trans | -99.8 | -36.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P981 I995 Y1012 R1320 H1322 | P981-A1324 HydrophobicContact CG-CB 3.84Å; I995-A1324 HydrophobicContact CB-CB 4.39Å; I995-A1324 HydrophobicContact CG1-CB 4.34Å; I995-A1324 HydrophobicContact CG2-CB 3.99Å; Y1012-A1324 PolarHBondContact OH-O 3.21Å; Y1012-A1324 VanDerWaalsContact OH-O 3.06Å; R1320-A1324 PolarHBondContact NH1-O 3.43Å; H1322-A1324 PolarHBondContact O-N 3.41Å; H1322-A1324 VanDerWaalsContact O-N 3.09Å |
| 1325 | G | 83.9 | Confident | 89.2 | Confident | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 4% | 0.035 | C | C | . | . | trans | -106.5 | 164 | -167.2 | 0 | 0 | 0 | 0 | 0 | 116 | I995 N1321 H1322 | I995-G1325 PolarHBondContact O-N 3.33Å; N1321-G1325 PolarHBondContact N-O 3.32Å; H1322-G1325 PolarHBondContact N-O 2.65Å | ||
| 1326 | F | 90.1 | Very high | 89.2 | Confident | 2 Ų | 2 | 5.7 Ų | 5.7 | 1% | 0.009 | 3% | 0.033 | C | C | . | . | trans | -96.4 | -131.3 | 174 | -59.2 | -98.5 | 0 | 0 | 0 | 109.5 | V1286 L1316 R1320 N1321 S1332 A1335 L1339 | V1286-F1326 HydrophobicContact CG1-CB 4.02Å; V1286-F1326 HydrophobicContact CG1-CD1 3.63Å; V1286-F1326 HydrophobicContact CG1-CE1 4.21Å; V1286-F1326 HydrophobicContact CG1-CG 3.86Å; V1286-F1326 HydrophobicContact CG2-CD1 4.09Å; L1316-F1326 HydrophobicContact CB-CE1 4.2Å; L1316-F1326 HydrophobicContact CD2-CE1 4.4Å; L1316-F1326 VanDerWaalsContact O-CE1 3.23Å; L1316-F1326 WeakPolarHBondContact O-CE1 3.29Å; R1320-F1326 HydrophobicContact CG-CD1 4.14Å; R1320-F1326 HydrophobicContact CG-CE1 3.96Å; R1320-F1326 HydrophobicContact CG-CZ 4.3Å; N1321-F1326 WeakPolarHBondContact CB-O 3.36Å; N1321-F1326 PolarHBondContact ND2-O 3.48Å; F1326-S1332 WeakPolarHBondContact CB-OG 3.35Å; F1326-S1332 PolarHBondContact N-OG 2.92Å; F1326-A1335 HydrophobicContact CD1-CB 4.43Å; F1326-A1335 HydrophobicContact CD2-CB 3.84Å; F1326-A1335 HydrophobicContact CE1-CB 4.01Å; F1326-A1335 HydrophobicContact CE2-CB 3.39Å; F1326-A1335 HydrophobicContact CG-CB 4.34Å; F1326-A1335 HydrophobicContact CZ-CB 3.49Å; F1326-A1335 VanDerWaalsContact CZ-CB 3.49Å; F1326-L1339 HydrophobicContact CZ-CD1 3.93Å | ||
| 1327 | A | 88.6 | Confident | 89.2 | Confident | 5 Ų | 5 | 5.7 Ų | 5.7 | 4% | 0.041 | 3% | 0.033 | C | C | . | . | S | Bend | trans | -85 | -51.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | D1282 N1321 D1331 P1555 | D1282-A1327 HydrophobicContact CB-CB 4.27Å; N1321-A1327 WeakPolarHBondContact ND2-CA 3.4Å; A1327-D1331 WeakPolarHBondContact CA-OD2 3.34Å; A1327-D1331 WeakPolarHBondContact CB-OD2 3.42Å; A1327-D1331 PolarHBondContact N-OD2 3.39Å; A1327-P1555 HydrophobicContact CB-CG 4.33Å; A1327-P1555 WeakPolarHBondContact O-CG 3.24Å |
| 1328 | S | 90 | Very high | 89.3 | Confident | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -133.6 | -172.9 | -171.8 | 161 | 0 | 0 | 0 | 0 | 110.8 | D1331 S1332 Y1553 | S1328-D1331 WeakPolarHBondContact CA-OD1 3.21Å; S1328-D1331 WeakPolarHBondContact CB-OD1 3.45Å; S1328-D1331 VanDerWaalsContact N-CG 3.35Å; S1328-D1331 PolarHBondContact N-OD1 2.96Å; S1328-D1331 PolarHBondContact N-OD2 3.41Å; S1328-S1332 WeakPolarHBondContact O-CB 3.23Å; S1328-S1332 PolarHBondContact O-N 2.91Å; S1328-S1332 PolarHBondContact O-OG 2.77Å; S1328-Y1553 WeakPolarHBondContact CB-O 3.37Å; S1328-Y1553 WeakPolarHBondContact OG-CA 3.37Å; S1328-Y1553 WeakPolarHBondContact OG-CD1 3.44Å |
| 1329 | T | 89.7 | Confident | 89.5 | Confident | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -65.5 | -59.8 | 176.2 | 52.4 | 0 | 0 | 0 | 0 | 113 | L996 E1004 F1008 S1332 L1333 Y1552 | L996-T1329 HydrophobicContact CD1-CG2 3.87Å; E1004-T1329 WeakPolarHBondContact OE1-CB 3.22Å; E1004-T1329 PolarHBondContact OE1-OG1 2.82Å; E1004-T1329 PolarHBondContact OE2-OG1 3.28Å; F1008-T1329 HydrophobicContact CB-CG2 4.17Å; F1008-T1329 HydrophobicContact CD1-CG2 3.86Å; F1008-T1329 HydrophobicContact CD2-CG2 4.35Å; F1008-T1329 WeakPolarHBondContact CD2-O 3.18Å; F1008-T1329 HydrophobicContact CE1-CG2 4.37Å; F1008-T1329 WeakPolarHBondContact CE2-O 3.42Å; F1008-T1329 HydrophobicContact CG-CG2 3.85Å; T1329-S1332 PolarHBondContact O-N 3.47Å; T1329-L1333 PolarHBondContact O-N 3.41Å; T1329-Y1552 HydrophobicContact CG2-CE1 3.74Å; T1329-Y1552 WeakPolarHBondContact CG2-OH 3.09Å |
| 1330 | F | 87.9 | Confident | 89.5 | Confident | 2 Ų | 2 | 5.8 Ų | 5.8 | 1% | 0.009 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -66.5 | -43.3 | -169.5 | -163.9 | -105.9 | 0 | 0 | 0 | 114.1 | I1073 F1144 M1170 L1287 L1333 F1334 | I1073-F1330 HydrophobicContact CD1-CE2 4.2Å; I1073-F1330 HydrophobicContact CG1-CE2 4.24Å; F1144-F1330 HydrophobicContact CE2-CD1 4.35Å; F1144-F1330 AromaticContact CE2-CE1 3.95Å; F1144-F1330 HydrophobicContact CE2-CE1 3.95Å; F1144-F1330 HydrophobicContact CE2-CE2 4.49Å; F1144-F1330 HydrophobicContact CE2-CZ 4.03Å; F1144-F1330 AromaticContact CZ-CE1 3.78Å; F1144-F1330 HydrophobicContact CZ-CE1 3.78Å; F1144-F1330 HydrophobicContact CZ-CE2 4.18Å; F1144-F1330 AromaticContact CZ-CZ 3.53Å; F1144-F1330 HydrophobicContact CZ-CZ 3.53Å; M1170-F1330 HydrophobicContact CE-CE2 4.4Å; M1170-F1330 HydrophobicContact SD-CE2 4.33Å; M1170-F1330 HydrophobicContact SD-CZ 4.05Å; L1287-F1330 HydrophobicContact CD1-CD1 3.6Å; L1287-F1330 HydrophobicContact CD1-CE1 3.75Å; L1287-F1330 HydrophobicContact CD2-CD1 3.62Å; L1287-F1330 HydrophobicContact CD2-CE1 3.91Å; L1287-F1330 HydrophobicContact CG-CD1 4.27Å; L1287-F1330 HydrophobicContact CG-CE1 4.46Å; F1330-L1333 PolarHBondContact O-N 2.96Å; F1330-F1334 HydrophobicContact CD1-CD2 4.12Å; F1330-F1334 HydrophobicContact CD1-CE2 4.27Å; F1330-F1334 HydrophobicContact CD2-CE2 4.34Å; F1330-F1334 AromaticContact CE1-CD2 3.79Å; F1330-F1334 HydrophobicContact CE1-CD2 3.79Å; F1330-F1334 AromaticContact CE1-CE2 3.53Å; F1330-F1334 HydrophobicContact CE1-CE2 3.53Å; F1330-F1334 HydrophobicContact CE1-CZ 4.39Å; F1330-F1334 HydrophobicContact CE2-CD2 4.2Å; F1330-F1334 AromaticContact CE2-CE2 3.62Å; F1330-F1334 HydrophobicContact CE2-CE2 3.62Å; F1330-F1334 HydrophobicContact CG-CD2 4.47Å; F1330-F1334 AromaticContact CZ-CD2 3.83Å; F1330-F1334 HydrophobicContact CZ-CD2 3.83Å; F1330-F1334 AromaticContact CZ-CE2 3.15Å; F1330-F1334 HydrophobicContact CZ-CE2 3.15Å; F1330-F1334 AromaticContact CZ-CZ 3.97Å; F1330-F1334 HydrophobicContact CZ-CZ 3.97Å; F1330-F1334 WeakPolarHBondContact O-CD2 3.42Å; F1330-F1334 PolarHBondContact O-N 3.3Å; F1330-F1334 VanDerWaalsContact O-N 3.09Å |
| 1331 | D | 91.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 172.8 | 58.5 | -46.6 | 0 | 0 | 0 | 111.4 | G1283 V1286 L1287 A1327 S1328 L1333 F1334 A1335 | G1283-D1331 WeakPolarHBondContact O-CB 3.1Å; V1286-D1331 HydrophobicContact CB-CB 4.2Å; V1286-D1331 HydrophobicContact CG1-CB 3.98Å; L1287-D1331 HydrophobicContact CB-CB 4.03Å; A1327-D1331 WeakPolarHBondContact CA-OD2 3.34Å; A1327-D1331 WeakPolarHBondContact CB-OD2 3.42Å; A1327-D1331 PolarHBondContact N-OD2 3.39Å; S1328-D1331 WeakPolarHBondContact CA-OD1 3.21Å; S1328-D1331 WeakPolarHBondContact CB-OD1 3.45Å; S1328-D1331 VanDerWaalsContact N-CG 3.35Å; S1328-D1331 PolarHBondContact N-OD1 2.96Å; S1328-D1331 PolarHBondContact N-OD2 3.41Å; D1331-L1333 VanDerWaalsContact C-N 3.32Å; D1331-L1333 PolarHBondContact O-N 2.98Å; D1331-F1334 PolarHBondContact O-N 3.01Å; D1331-A1335 WeakPolarHBondContact O-CB 2.88Å; D1331-A1335 PolarHBondContact O-N 3.48Å |
| 1332 | S | 92.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -63.7 | -36.7 | 176.3 | -65 | 0 | 0 | 0 | 0 | 112.6 | L996 F1326 S1328 T1329 M1336 | L996-S1332 WeakPolarHBondContact CD2-OG 3.29Å; F1326-S1332 WeakPolarHBondContact CB-OG 3.35Å; F1326-S1332 PolarHBondContact N-OG 2.92Å; S1328-S1332 WeakPolarHBondContact O-CB 3.23Å; S1328-S1332 PolarHBondContact O-N 2.91Å; S1328-S1332 PolarHBondContact O-OG 2.77Å; T1329-S1332 PolarHBondContact O-N 3.47Å; S1332-M1336 WeakPolarHBondContact O-CB 3.46Å; S1332-M1336 PolarHBondContact O-N 3.18Å |
| 1333 | L | 92.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 3.7 Ų | 3.7 | 1% | 0.01 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -68.8 | -46 | 178.6 | -173 | 59 | 0 | 0 | 0 | 112.1 | F1008 W1076 T1329 F1330 D1331 M1336 H1337 | F1008-L1333 HydrophobicContact CD2-CB 4.02Å; F1008-L1333 HydrophobicContact CE2-CB 4.29Å; W1076-L1333 HydrophobicContact CE3-CD2 3.91Å; W1076-L1333 HydrophobicContact CH2-CD2 4.16Å; W1076-L1333 HydrophobicContact CH2-CG 4.02Å; W1076-L1333 HydrophobicContact CZ3-CD2 3.42Å; W1076-L1333 VanDerWaalsContact CZ3-CD2 3.42Å; W1076-L1333 HydrophobicContact CZ3-CG 3.78Å; T1329-L1333 PolarHBondContact O-N 3.41Å; F1330-L1333 PolarHBondContact O-N 2.96Å; D1331-L1333 VanDerWaalsContact C-N 3.32Å; D1331-L1333 PolarHBondContact O-N 2.98Å; L1333-M1336 PolarHBondContact O-N 3.36Å; L1333-H1337 WeakPolarHBondContact O-CB 3.4Å; L1333-H1337 PolarHBondContact O-N 2.95Å |
| 1334 | F | 93.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -66.2 | -40.7 | 176 | -91 | -94.2 | 0 | 0 | 0 | 112.1 | W1076 M1170 I1173 Y1220 L1287 I1291 L1294 F1330 D1331 H1337 A1338 | W1076-F1334 HydrophobicContact CE3-CE2 4.47Å; W1076-F1334 HydrophobicContact CH2-CD1 4.42Å; W1076-F1334 AromaticContact CH2-CD2 3.78Å; W1076-F1334 HydrophobicContact CH2-CD2 3.78Å; W1076-F1334 HydrophobicContact CH2-CE1 4.2Å; W1076-F1334 AromaticContact CH2-CE2 3.46Å; W1076-F1334 HydrophobicContact CH2-CE2 3.46Å; W1076-F1334 VanDerWaalsContact CH2-CE2 3.46Å; W1076-F1334 HydrophobicContact CH2-CG 4.24Å; W1076-F1334 AromaticContact CH2-CZ 3.72Å; W1076-F1334 HydrophobicContact CH2-CZ 3.72Å; W1076-F1334 HydrophobicContact CZ2-CE2 4.5Å; W1076-F1334 HydrophobicContact CZ2-CZ 4.36Å; W1076-F1334 AromaticContact CZ3-CD2 3.95Å; W1076-F1334 HydrophobicContact CZ3-CD2 3.95Å; W1076-F1334 AromaticContact CZ3-CE2 3.43Å; W1076-F1334 HydrophobicContact CZ3-CE2 3.43Å; W1076-F1334 VanDerWaalsContact CZ3-CE2 3.43Å; W1076-F1334 AromaticContact CZ3-CZ 3.98Å; W1076-F1334 HydrophobicContact CZ3-CZ 3.98Å; M1170-F1334 HydrophobicContact SD-CZ 4.37Å; I1173-F1334 HydrophobicContact CG2-CZ 4.38Å; Y1220-F1334 HydrophobicContact CE1-CE1 4.4Å; L1287-F1334 HydrophobicContact CD1-CB 3.72Å; L1287-F1334 HydrophobicContact CD1-CD1 4.46Å; L1287-F1334 HydrophobicContact CD1-CD2 3.78Å; L1287-F1334 HydrophobicContact CD1-CG 3.72Å; I1291-F1334 HydrophobicContact CG1-CD1 3.8Å; I1291-F1334 HydrophobicContact CG1-CE1 4.06Å; L1294-F1334 HydrophobicContact CD1-CD1 3.94Å; F1330-F1334 HydrophobicContact CD1-CD2 4.12Å; F1330-F1334 HydrophobicContact CD1-CE2 4.27Å; F1330-F1334 HydrophobicContact CD2-CE2 4.34Å; F1330-F1334 AromaticContact CE1-CD2 3.79Å; F1330-F1334 HydrophobicContact CE1-CD2 3.79Å; F1330-F1334 AromaticContact CE1-CE2 3.53Å; F1330-F1334 HydrophobicContact CE1-CE2 3.53Å; F1330-F1334 HydrophobicContact CE1-CZ 4.39Å; F1330-F1334 HydrophobicContact CE2-CD2 4.2Å; F1330-F1334 AromaticContact CE2-CE2 3.62Å; F1330-F1334 HydrophobicContact CE2-CE2 3.62Å; F1330-F1334 HydrophobicContact CG-CD2 4.47Å; F1330-F1334 AromaticContact CZ-CD2 3.83Å; F1330-F1334 HydrophobicContact CZ-CD2 3.83Å; F1330-F1334 AromaticContact CZ-CE2 3.15Å; F1330-F1334 HydrophobicContact CZ-CE2 3.15Å; F1330-F1334 AromaticContact CZ-CZ 3.97Å; F1330-F1334 HydrophobicContact CZ-CZ 3.97Å; F1330-F1334 WeakPolarHBondContact O-CD2 3.42Å; F1330-F1334 PolarHBondContact O-N 3.3Å; F1330-F1334 VanDerWaalsContact O-N 3.09Å; D1331-F1334 PolarHBondContact O-N 3.01Å; F1334-H1337 PolarHBondContact O-N 2.73Å; F1334-A1338 WeakPolarHBondContact O-CB 3.31Å; F1334-A1338 PolarHBondContact O-N 2.93Å |
| 1335 | A | 93.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1286 S1290 F1326 D1331 H1337 A1338 L1339 | V1286-A1335 HydrophobicContact CG1-CB 3.96Å; S1290-A1335 VanDerWaalsContact OG-CA 3.26Å; S1290-A1335 WeakPolarHBondContact OG-CA 3.23Å; S1290-A1335 WeakPolarHBondContact OG-CB 3.45Å; F1326-A1335 HydrophobicContact CD1-CB 4.43Å; F1326-A1335 HydrophobicContact CD2-CB 3.84Å; F1326-A1335 HydrophobicContact CE1-CB 4.01Å; F1326-A1335 HydrophobicContact CE2-CB 3.39Å; F1326-A1335 HydrophobicContact CG-CB 4.34Å; F1326-A1335 HydrophobicContact CZ-CB 3.49Å; F1326-A1335 VanDerWaalsContact CZ-CB 3.49Å; D1331-A1335 WeakPolarHBondContact O-CB 2.88Å; D1331-A1335 PolarHBondContact O-N 3.48Å; A1335-H1337 VanDerWaalsContact C-N 3.32Å; A1335-H1337 PolarHBondContact O-N 2.95Å; A1335-A1338 PolarHBondContact O-N 2.68Å; A1335-L1339 WeakPolarHBondContact O-CB 3.32Å; A1335-L1339 VanDerWaalsContact O-CG 3.23Å; A1335-L1339 WeakPolarHBondContact O-CG 3.49Å; A1335-L1339 PolarHBondContact O-N 3.46Å |
| 1336 | M | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -61.5 | -40.2 | 175.2 | -177.7 | 54 | 72.3 | 0 | 0 | 111.8 | I979 Y1012 N1015 L1016 S1332 L1333 R1340 | I979-M1336 HydrophobicContact CD1-SD 3.74Å; I979-M1336 HydrophobicContact CG1-CE 4.08Å; I979-M1336 HydrophobicContact CG1-SD 3.43Å; I979-M1336 WeakPolarHBondContact CG1-SD 3.38Å; Y1012-M1336 HydrophobicContact CD2-CB 4.23Å; Y1012-M1336 HydrophobicContact CD2-CE 4.42Å; Y1012-M1336 HydrophobicContact CD2-CG 4.2Å; Y1012-M1336 HydrophobicContact CE1-CE 4.32Å; Y1012-M1336 HydrophobicContact CE2-CB 4.14Å; Y1012-M1336 HydrophobicContact CE2-CE 3.5Å; Y1012-M1336 HydrophobicContact CE2-CG 4.14Å; Y1012-M1336 VanDerWaalsContact CZ-CE 3.43Å; Y1012-M1336 WeakPolarHBondContact OH-CE 3.45Å; N1015-M1336 HydrophobicContact CB-CG 3.87Å; L1016-M1336 HydrophobicContact CD2-CE 3.9Å; L1016-M1336 HydrophobicContact CD2-SD 3.94Å; S1332-M1336 WeakPolarHBondContact O-CB 3.46Å; S1332-M1336 PolarHBondContact O-N 3.18Å; L1333-M1336 PolarHBondContact O-N 3.36Å; M1336-R1340 WeakPolarHBondContact O-CB 3.3Å; M1336-R1340 PolarHBondContact O-N 3.25Å |
| 1337 | H | 92 | Very high | 89.8 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 175.9 | -171.9 | 69.2 | 0 | 0 | 0 | 112.4 | L1333 F1334 A1335 R1340 K1341 | L1333-H1337 WeakPolarHBondContact O-CB 3.4Å; L1333-H1337 PolarHBondContact O-N 2.95Å; F1334-H1337 PolarHBondContact O-N 2.73Å; A1335-H1337 VanDerWaalsContact C-N 3.32Å; A1335-H1337 PolarHBondContact O-N 2.95Å; H1337-R1340 PolarHBondContact CE1-NH2 3.11Å; H1337-R1340 VanDerWaalsContact CE1-NH2 3.3Å; H1337-R1340 PolarHBondContact O-N 3.45Å; H1337-K1341 PolarHBondContact O-N 3.41Å; H1337-K1341 VanDerWaalsContact O-N 3.08Å |
| 1338 | A | 92.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.9 | -50.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1293 L1294 F1334 A1335 R1340 K1341 F1342 | F1293-A1338 HydrophobicContact CB-CB 4.49Å; F1293-A1338 HydrophobicContact CD1-CB 3.77Å; F1293-A1338 HydrophobicContact CE1-CB 4.44Å; F1293-A1338 HydrophobicContact CG-CB 4.33Å; L1294-A1338 HydrophobicContact CD1-CB 4.32Å; L1294-A1338 HydrophobicContact CD2-CB 4.09Å; L1294-A1338 HydrophobicContact CG-CB 3.87Å; F1334-A1338 WeakPolarHBondContact O-CB 3.31Å; F1334-A1338 PolarHBondContact O-N 2.93Å; A1335-A1338 PolarHBondContact O-N 2.68Å; A1338-R1340 VanDerWaalsContact C-N 3.34Å; A1338-R1340 PolarHBondContact O-N 2.88Å; A1338-K1341 PolarHBondContact O-N 2.9Å; A1338-F1342 PolarHBondContact O-N 2.9Å |
| 1339 | L | 91.7 | Very high | 89.1 | Confident | 3 Ų | 3 | 15.9 Ų | 15.9 | 2% | 0.016 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.1 | -39.7 | 177.6 | -66.3 | 177.7 | 0 | 0 | 0 | 111 | F978 V1313 L1316 F1326 A1335 K1341 F1342 A1343 | F978-L1339 HydrophobicContact CD2-CB 4.31Å; F978-L1339 HydrophobicContact CD2-CD2 3.92Å; F978-L1339 HydrophobicContact CE2-CB 4.47Å; F978-L1339 HydrophobicContact CE2-CD2 4.46Å; F978-L1339 WeakPolarHBondContact CE2-O 3.37Å; V1313-L1339 HydrophobicContact CG1-CD2 4.24Å; V1313-L1339 HydrophobicContact CG2-CD2 4.21Å; L1316-L1339 HydrophobicContact CD1-CD2 4.35Å; F1326-L1339 HydrophobicContact CZ-CD1 3.93Å; A1335-L1339 WeakPolarHBondContact O-CB 3.32Å; A1335-L1339 VanDerWaalsContact O-CG 3.23Å; A1335-L1339 WeakPolarHBondContact O-CG 3.49Å; A1335-L1339 PolarHBondContact O-N 3.46Å; L1339-K1341 PolarHBondContact O-N 2.83Å; L1339-F1342 PolarHBondContact O-N 3.33Å; L1339-A1343 WeakPolarHBondContact O-CB 3.43Å; L1339-A1343 PolarHBondContact O-N 3.31Å |
| 1340 | R | 91.2 | Very high | 88.7 | Confident | 24 Ų | 24 | 19.7 Ų | 19.7 | 9% | 0.091 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.9 | -47.5 | 174.1 | -177.4 | -163 | 77.4 | 170.6 | 13.9 | 112.3 | I979 N1015 M1336 H1337 A1338 A1343 L1344 | I979-R1340 HydrophobicContact CD1-CB 4.48Å; N1015-R1340 WeakPolarHBondContact OD1-CD 3.27Å; N1015-R1340 PolarHBondContact OD1-NH1 2.91Å; M1336-R1340 WeakPolarHBondContact O-CB 3.3Å; M1336-R1340 PolarHBondContact O-N 3.25Å; H1337-R1340 PolarHBondContact CE1-NH2 3.11Å; H1337-R1340 VanDerWaalsContact CE1-NH2 3.3Å; H1337-R1340 PolarHBondContact O-N 3.45Å; A1338-R1340 VanDerWaalsContact C-N 3.34Å; A1338-R1340 PolarHBondContact O-N 2.88Å; R1340-A1343 WeakPolarHBondContact O-CB 3.08Å; R1340-A1343 PolarHBondContact O-N 3.28Å; R1340-L1344 HydrophobicContact CG-CD1 4.21Å; R1340-L1344 WeakPolarHBondContact O-CG 3.29Å; R1340-L1344 PolarHBondContact O-N 3.43Å |
| 1341 | K | 88.6 | Confident | 88.6 | Confident | 17 Ų | 17 | 25.3 Ų | 25.3 | 7% | 0.074 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64 | -41.8 | 178.8 | -75.7 | -157.7 | 178.3 | -161.3 | 0 | 111.3 | E1179 L1294 E1298 H1337 A1338 L1339 A1345 | E1179-K1341 IonicContact OE1-NZ 3.48Å; E1179-K1341 PolarHBondContact OE1-NZ 2.82Å; L1294-K1341 HydrophobicContact CD2-CD 4.19Å; E1298-K1341 IonicContact OE1-NZ 3.68Å; E1298-K1341 PolarHBondContact OE1-NZ 3.06Å; H1337-K1341 PolarHBondContact O-N 3.41Å; H1337-K1341 VanDerWaalsContact O-N 3.08Å; A1338-K1341 PolarHBondContact O-N 2.9Å; L1339-K1341 PolarHBondContact O-N 2.83Å; K1341-A1345 PolarHBondContact O-N 3.43Å |
| 1342 | F | 87.8 | Confident | 88.5 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.018 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.8 | -41.5 | 175.1 | -169.6 | -120.1 | 0 | 0 | 0 | 112.6 | F978 F1293 F1304 A1309 L1310 V1313 A1338 L1339 A1345 D1346 | F978-F1342 HydrophobicContact CD1-CD1 4.48Å; F978-F1342 HydrophobicContact CD2-CD1 4.23Å; F978-F1342 AromaticContact CE1-CD1 3.76Å; F978-F1342 HydrophobicContact CE1-CD1 3.76Å; F978-F1342 AromaticContact CE1-CE1 3.89Å; F978-F1342 HydrophobicContact CE1-CE1 3.89Å; F978-F1342 HydrophobicContact CE2-CB 4.11Å; F978-F1342 AromaticContact CE2-CD1 3.46Å; F978-F1342 HydrophobicContact CE2-CD1 3.46Å; F978-F1342 VanDerWaalsContact CE2-CD1 3.46Å; F978-F1342 HydrophobicContact CE2-CE1 4.35Å; F978-F1342 HydrophobicContact CE2-CG 4.24Å; F978-F1342 HydrophobicContact CZ-CB 4.22Å; F978-F1342 AromaticContact CZ-CD1 3.14Å; F978-F1342 HydrophobicContact CZ-CD1 3.14Å; F978-F1342 AromaticContact CZ-CE1 3.77Å; F978-F1342 HydrophobicContact CZ-CE1 3.77Å; F978-F1342 HydrophobicContact CZ-CG 4Å; F1293-F1342 HydrophobicContact CE1-CB 3.88Å; F1293-F1342 HydrophobicContact CE1-CD2 4.38Å; F1293-F1342 HydrophobicContact CE1-CG 4.39Å; F1293-F1342 HydrophobicContact CE2-CD2 4.32Å; F1293-F1342 HydrophobicContact CE2-CG 4.48Å; F1293-F1342 HydrophobicContact CZ-CB 3.6Å; F1293-F1342 HydrophobicContact CZ-CD1 4.47Å; F1293-F1342 AromaticContact CZ-CD2 3.49Å; F1293-F1342 HydrophobicContact CZ-CD2 3.49Å; F1293-F1342 VanDerWaalsContact CZ-CD2 3.49Å; F1293-F1342 HydrophobicContact CZ-CE2 4.2Å; F1293-F1342 AromaticContact CZ-CG 3.62Å; F1293-F1342 HydrophobicContact CZ-CG 3.62Å; F1304-F1342 HydrophobicContact CB-CE2 4.25Å; A1309-F1342 HydrophobicContact CB-CE2 4.1Å; L1310-F1342 HydrophobicContact CD2-CE1 4.2Å; L1310-F1342 HydrophobicContact CD2-CZ 3.81Å; L1310-F1342 HydrophobicContact CG-CZ 4.43Å; V1313-F1342 HydrophobicContact CB-CE1 4.4Å; V1313-F1342 HydrophobicContact CG1-CE1 4.39Å; V1313-F1342 HydrophobicContact CG2-CD1 3.66Å; V1313-F1342 HydrophobicContact CG2-CE1 3.7Å; V1313-F1342 HydrophobicContact CG2-CG 4.33Å; V1313-F1342 HydrophobicContact CG2-CZ 4.27Å; A1338-F1342 PolarHBondContact O-N 2.9Å; L1339-F1342 PolarHBondContact O-N 3.33Å; F1342-A1345 PolarHBondContact O-N 3.41Å; F1342-D1346 PolarHBondContact O-N 2.9Å |
| 1343 | A | 88.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.8 | -54.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F978 Y1019 L1339 R1340 A1345 D1346 R1349 | F978-A1343 HydrophobicContact CE2-CB 3.74Å; F978-A1343 HydrophobicContact CZ-CB 3.85Å; Y1019-A1343 HydrophobicContact CD2-CB 3.88Å; Y1019-A1343 HydrophobicContact CE2-CB 3.81Å; L1339-A1343 WeakPolarHBondContact O-CB 3.43Å; L1339-A1343 PolarHBondContact O-N 3.31Å; R1340-A1343 WeakPolarHBondContact O-CB 3.08Å; R1340-A1343 PolarHBondContact O-N 3.28Å; A1343-A1345 PolarHBondContact O-N 2.9Å; A1343-D1346 PolarHBondContact O-N 3.45Å; A1343-D1346 VanDerWaalsContact O-N 3.09Å; A1343-R1349 VanDerWaalsContact C-NH2 3.33Å; A1343-R1349 PolarHBondContact O-NE 3.22Å; A1343-R1349 PolarHBondContact O-NH1 2.74Å; A1343-R1349 VanDerWaalsContact O-NH1 3.12Å; A1343-R1349 PolarHBondContact O-NH2 3.46Å |
| 1344 | L | 88.4 | Confident | 88.4 | Confident | 77 Ų | 77 | 35.1 Ų | 35.1 | 40% | 0.403 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.3 | -18.9 | -178.4 | -65.4 | 174.8 | 0 | 0 | 0 | 113 | R1340 | R1340-L1344 HydrophobicContact CG-CD1 4.21Å; R1340-L1344 WeakPolarHBondContact O-CG 3.29Å; R1340-L1344 PolarHBondContact O-N 3.43Å |
| 1345 | A | 85.7 | Confident | 88.5 | Confident | 35 Ų | 35 | 35.5 Ų | 35.5 | 29% | 0.289 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -81.7 | -14 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1304 K1341 F1342 A1343 T1347 | F1304-A1345 WeakPolarHBondContact CD1-O 3.44Å; K1341-A1345 PolarHBondContact O-N 3.43Å; F1342-A1345 PolarHBondContact O-N 3.41Å; A1343-A1345 PolarHBondContact O-N 2.9Å; A1345-T1347 PolarHBondContact O-N 2.91Å |
| 1346 | D | 84.7 | Confident | 88.4 | Confident | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | trans | -83.7 | 110.9 | -176.6 | -170.6 | -1.4 | 0 | 0 | 0 | 112.3 | F1342 A1343 N1348 Y1352 R1403 | F1342-D1346 PolarHBondContact O-N 2.9Å; A1343-D1346 PolarHBondContact O-N 3.45Å; A1343-D1346 VanDerWaalsContact O-N 3.09Å; D1346-N1348 VanDerWaalsContact C-N 3.33Å; D1346-N1348 VanDerWaalsContact OD1-CB 3.31Å; D1346-N1348 WeakPolarHBondContact OD1-CB 3.26Å; D1346-N1348 PolarHBondContact OD1-N 3.5Å; D1346-N1348 PolarHBondContact OD1-ND2 2.99Å; D1346-Y1352 PolarHBondContact OD2-OH 2.92Å; D1346-R1403 IonicContact OD1-NH1 3.19Å; D1346-R1403 IonicContact OD2-CZ 3.52Å; D1346-R1403 IonicContact OD2-NE 2.84Å; D1346-R1403 IonicContact OD2-NH1 2.68Å; D1346-R1403 PolarHBondContact OD2-NH1 3.49Å | ||
| 1347 | T | 82.5 | Confident | 88.4 | Confident | 94 Ų | 94 | 37.4 Ų | 37.4 | 58% | 0.577 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -79 | -13 | 179.2 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | F1304 A1345 R1349 | F1304-T1347 HydrophobicContact CE1-CG2 4.48Å; F1304-T1347 WeakPolarHBondContact CZ-OG1 3.08Å; A1345-T1347 PolarHBondContact O-N 2.91Å; T1347-R1349 VanDerWaalsContact C-N 3.25Å; T1347-R1349 PolarHBondContact O-N 2.97Å |
| 1348 | N | 82.7 | Confident | 88.4 | Confident | 46 Ų | 46 | 37.4 Ų | 37.4 | 25% | 0.246 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -74.7 | -12.9 | -172 | -65.5 | -32.9 | 0 | 0 | 0 | 113.9 | D1346 A1350 L1351 Y1352 | D1346-N1348 VanDerWaalsContact C-N 3.33Å; D1346-N1348 VanDerWaalsContact OD1-CB 3.31Å; D1346-N1348 WeakPolarHBondContact OD1-CB 3.26Å; D1346-N1348 PolarHBondContact OD1-N 3.5Å; D1346-N1348 PolarHBondContact OD1-ND2 2.99Å; N1348-A1350 PolarHBondContact O-N 3.27Å; N1348-L1351 WeakPolarHBondContact O-CB 3.39Å; N1348-L1351 PolarHBondContact O-N 2.89Å; N1348-Y1352 HydrophobicContact CB-CE1 4.11Å; N1348-Y1352 VanDerWaalsContact O-CD1 3.27Å; N1348-Y1352 WeakPolarHBondContact O-CD1 3.42Å; N1348-Y1352 WeakPolarHBondContact O-CE1 3.5Å |
| 1349 | R | 81.1 | Confident | 88.2 | Confident | 22 Ų | 22 | 42.6 Ų | 42.6 | 8% | 0.083 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -57.1 | -32.9 | -176.6 | -68.1 | 172.6 | 177.4 | -161.8 | -15.4 | 114.4 | D977 Y1019 A1343 T1347 L1351 Y1352 | D977-R1349 VanDerWaalsContact CG-NH2 3.33Å; D977-R1349 IonicContact OD1-NH2 3.36Å; D977-R1349 PolarHBondContact OD1-NH2 3.11Å; D977-R1349 VanDerWaalsContact OD1-NH2 3.14Å; D977-R1349 IonicContact OD2-CZ 3.86Å; D977-R1349 VanDerWaalsContact OD2-CZ 3.25Å; D977-R1349 IonicContact OD2-NE 3.36Å; D977-R1349 IonicContact OD2-NH1 3.07Å; D977-R1349 IonicContact OD2-NH2 2.71Å; D977-R1349 PolarHBondContact OD2-NH2 2.91Å; Y1019-R1349 VanDerWaalsContact CE2-NH1 3.29Å; A1343-R1349 VanDerWaalsContact C-NH2 3.33Å; A1343-R1349 PolarHBondContact O-NE 3.22Å; A1343-R1349 PolarHBondContact O-NH1 2.74Å; A1343-R1349 VanDerWaalsContact O-NH1 3.12Å; A1343-R1349 PolarHBondContact O-NH2 3.46Å; T1347-R1349 VanDerWaalsContact C-N 3.25Å; T1347-R1349 PolarHBondContact O-N 2.97Å; R1349-L1351 PolarHBondContact O-N 2.86Å; R1349-L1351 VanDerWaalsContact O-N 3.1Å; R1349-Y1352 HydrophobicContact CB-CE2 4.45Å; R1349-Y1352 HydrophobicContact CG-CE1 4.41Å; R1349-Y1352 HydrophobicContact CG-CE2 3.91Å; R1349-Y1352 PolarHBondContact O-N 3.46Å |
| 1350 | A | 82.3 | Confident | 88.1 | Confident | 80 Ų | 80 | 42.7 Ų | 42.7 | 66% | 0.661 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -63.4 | -14.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1348 | N1348-A1350 PolarHBondContact O-N 3.27Š|
| 1351 | L | 86.8 | Confident | 87.9 | Confident | 120 Ų | 120 | 44 Ų | 44 | 63% | 0.628 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -110.5 | 3.1 | -177.2 | -58.1 | 175.4 | 0 | 0 | 0 | 113.1 | N1348 R1349 R1353 T1401 | N1348-L1351 WeakPolarHBondContact O-CB 3.39Å; N1348-L1351 PolarHBondContact O-N 2.89Å; R1349-L1351 PolarHBondContact O-N 2.86Å; R1349-L1351 VanDerWaalsContact O-N 3.1Å; L1351-R1353 PolarHBondContact O-N 3.27Å; L1351-T1401 WeakPolarHBondContact O-CG2 3.35Å |
| 1352 | Y | 89.4 | Confident | 87.8 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | trans | -62.5 | 121.3 | -174.8 | -76.9 | 7.2 | 0 | 0 | 0 | 111.8 | G976 D1346 N1348 R1349 D1373 T1374 Y1377 T1401 G1402 | G976-Y1352 WeakPolarHBondContact O-CD2 3.19Å; G976-Y1352 WeakPolarHBondContact O-CE2 3.17Å; D1346-Y1352 PolarHBondContact OD2-OH 2.92Å; N1348-Y1352 HydrophobicContact CB-CE1 4.11Å; N1348-Y1352 VanDerWaalsContact O-CD1 3.27Å; N1348-Y1352 WeakPolarHBondContact O-CD1 3.42Å; N1348-Y1352 WeakPolarHBondContact O-CE1 3.5Å; R1349-Y1352 HydrophobicContact CB-CE2 4.45Å; R1349-Y1352 HydrophobicContact CG-CE1 4.41Å; R1349-Y1352 HydrophobicContact CG-CE2 3.91Å; R1349-Y1352 PolarHBondContact O-N 3.46Å; Y1352-D1373 CarbonylContact O-C 3.59Å; Y1352-T1374 PolarHBondContact O-N 3.18Å; Y1352-Y1377 HydrophobicContact CD2-CD2 4.19Å; Y1352-Y1377 HydrophobicContact CD2-CG 4.07Å; Y1352-Y1377 HydrophobicContact CE2-CD2 4.33Å; Y1352-T1401 WeakPolarHBondContact CA-O 3.4Å; Y1352-G1402 VanDerWaalsContact CD1-CA 3.46Å | ||
| 1353 | R | 91.5 | Very high | 87.8 | Confident | 198 Ų | 198 | 46 Ų | 46 | 75% | 0.747 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 103.8 | 175.5 | -173.3 | 174.5 | -177.9 | 170 | 1.2 | 109 | L1351 I1372 G1400 T1401 | L1351-R1353 PolarHBondContact O-N 3.27Å; R1353-I1372 CarbonylContact C-O 3.58Å; R1353-I1372 WeakPolarHBondContact CA-O 3.32Å; R1353-G1400 CarbonylContact O-C 3.47Å; R1353-G1400 VanDerWaalsContact O-CA 3.23Å; R1353-G1400 WeakPolarHBondContact O-CA 3.41Å; R1353-T1401 CarbonylContact C-O 3.45Å; R1353-T1401 PolarHBondContact N-O 3.4Å; R1353-T1401 PolarHBondContact O-N 3.25Å |
| 1354 | M | 91.3 | Very high | 87.3 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 150.4 | -173.7 | -57.7 | 169.6 | -69.3 | 0 | 0 | 110.7 | L934 Y1371 I1372 E1399 T1401 G1402 V1404 | L934-M1354 HydrophobicContact CD1-SD 4Å; M1354-Y1371 WeakPolarHBondContact O-CA 3.3Å; M1354-I1372 HydrophobicContact CB-CB 4.31Å; M1354-I1372 HydrophobicContact CE-CB 4.02Å; M1354-I1372 HydrophobicContact CE-CD1 4.24Å; M1354-I1372 HydrophobicContact CE-CG2 3.66Å; M1354-I1372 PolarHBondContact N-O 3.15Å; M1354-I1372 PolarHBondContact O-N 3.06Å; M1354-E1399 CarbonylContact C-O 3.58Å; M1354-E1399 VanDerWaalsContact CA-O 3.26Å; M1354-E1399 WeakPolarHBondContact CA-O 3.26Å; M1354-T1401 VanDerWaalsContact CG-O 3.23Å; M1354-T1401 WeakPolarHBondContact CG-O 3.04Å; M1354-G1402 WeakPolarHBondContact SD-CA 3.12Å; M1354-V1404 HydrophobicContact CE-CG2 3.51Å; M1354-V1404 HydrophobicContact SD-CG2 3.23Å; M1354-V1404 WeakPolarHBondContact SD-CG2 3.01Å |
| 1355 | A | 93.4 | Very high | 87.1 | Confident | 9 Ų | 9 | 53.8 Ų | 53.8 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | I1370 Y1371 L1398 E1399 | A1355-I1370 CarbonylContact C-O 3.57Å; A1355-I1370 VanDerWaalsContact CA-O 3.3Å; A1355-I1370 WeakPolarHBondContact CA-O 3.22Å; A1355-Y1371 HydrophobicContact CB-CD1 3.8Å; A1355-Y1371 HydrophobicContact CB-CE1 3.82Å; A1355-L1398 WeakPolarHBondContact O-CA 3.25Å; A1355-E1399 PolarHBondContact N-O 3.38Å; A1355-E1399 PolarHBondContact O-N 2.69Å |
| 1356 | I | 92.4 | Very high | 87 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 117.1 | -175.5 | -45.4 | -165.1 | 0 | 0 | 0 | 108.6 | V974 E1358 R1369 I1370 I1372 K1397 L1398 V1404 L1406 | V974-I1356 HydrophobicContact CG1-CD1 3.34Å; I1356-E1358 HydrophobicContact CG2-CG 4.31Å; I1356-R1369 CarbonylContact O-C 3.53Å; I1356-R1369 VanDerWaalsContact O-CA 3.26Å; I1356-R1369 WeakPolarHBondContact O-CA 3.39Å; I1356-I1370 HydrophobicContact CB-CB 4.44Å; I1356-I1370 PolarHBondContact N-O 3.05Å; I1356-I1370 PolarHBondContact O-N 2.87Å; I1356-I1372 HydrophobicContact CD1-CD1 3.98Å; I1356-K1397 WeakPolarHBondContact CA-O 3.35Å; I1356-L1398 HydrophobicContact CB-CG 4.38Å; I1356-L1398 HydrophobicContact CD1-CD2 3.87Å; I1356-L1398 HydrophobicContact CD1-CG 4.04Å; I1356-L1398 HydrophobicContact CG1-CD2 4.2Å; I1356-L1398 HydrophobicContact CG1-CG 3.9Å; I1356-L1398 HydrophobicContact CG2-CD1 4.02Å; I1356-L1398 HydrophobicContact CG2-CG 4.06Å; I1356-V1404 HydrophobicContact CD1-CG1 3.79Å; I1356-V1404 HydrophobicContact CD1-CG2 4.38Å; I1356-L1406 HydrophobicContact CD1-CD2 4.05Å |
| 1357 | D | 92.8 | Very high | 87 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 21% | 0.209 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 119.5 | 173.9 | -61.5 | -30.2 | 0 | 0 | 0 | 109.5 | R1369 M1396 K1397 | D1357-R1369 WeakPolarHBondContact OD1-CD 3.32Å; D1357-R1369 WeakPolarHBondContact OD1-CG 3.16Å; D1357-R1369 IonicContact OD1-CZ 3.67Å; D1357-R1369 IonicContact OD1-NE 3.01Å; D1357-R1369 PolarHBondContact OD1-NE 3.45Å; D1357-M1396 CarbonylContact O-C 3.47Å; D1357-M1396 VanDerWaalsContact O-CA 3.28Å; D1357-M1396 WeakPolarHBondContact O-CA 3.4Å; D1357-K1397 HydrophobicContact CB-CB 4.31Å; D1357-K1397 PolarHBondContact N-O 2.92Å; D1357-K1397 PolarHBondContact O-N 3.42Å |
| 1358 | E | 90.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 135.2 | -178.2 | -55.9 | 173.8 | 167.3 | 0 | 0 | 110.3 | L972 I1356 W1366 T1367 N1368 I1370 T1383 M1396 | L972-E1358 VanDerWaalsContact CD2-CD 3.49Å; L972-E1358 HydrophobicContact CD2-CG 3.99Å; L972-E1358 VanDerWaalsContact CD2-OE1 3.25Å; L972-E1358 WeakPolarHBondContact CD2-OE1 3.49Å; I1356-E1358 HydrophobicContact CG2-CG 4.31Å; E1358-W1366 HydrophobicContact CB-CH2 4.39Å; E1358-W1366 HydrophobicContact CB-CZ3 4.2Å; E1358-T1367 WeakPolarHBondContact O-CA 3.45Å; E1358-N1368 HydrophobicContact CB-CB 4.33Å; E1358-N1368 PolarHBondContact N-O 2.93Å; E1358-N1368 PolarHBondContact O-N 3.41Å; E1358-N1368 VanDerWaalsContact O-N 3.12Å; E1358-N1368 PolarHBondContact OE2-ND2 3.27Å; E1358-N1368 VanDerWaalsContact OE2-ND2 3.14Å; E1358-I1370 WeakPolarHBondContact OE1-CD1 3.38Å; E1358-T1383 PolarHBondContact OE2-OG1 2.93Å; E1358-M1396 HydrophobicContact CG-CG 4.46Å |
| 1359 | K | 89.4 | Confident | 87.8 | Confident | 110 Ų | 110 | 59.9 Ų | 59.9 | 48% | 0.478 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 140 | 169.5 | -47.3 | -172.2 | 176.9 | -178.3 | 0 | 110.3 | T1367 I1394 T1395 | K1359-T1367 HydrophobicContact CD-CG2 4.06Å; K1359-T1367 HydrophobicContact CG-CG2 4Å; K1359-I1394 CarbonylContact O-C 3.54Å; K1359-I1394 WeakPolarHBondContact O-CA 3.19Å; K1359-T1395 PolarHBondContact N-O 2.78Å; K1359-T1395 PolarHBondContact O-N 2.9Å |
| 1360 | I | 88.9 | Confident | 88.4 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 135.2 | 175 | -168.5 | 172 | 0 | 0 | 0 | 109.7 | I947 S1362 M1363 W1366 F1385 I1394 | I947-I1360 HydrophobicContact CD1-CD1 3.9Å; I947-I1360 HydrophobicContact CD1-CG1 4.42Å; I1360-S1362 WeakPolarHBondContact CD1-OG 3.37Å; I1360-S1362 WeakPolarHBondContact CG1-OG 3.18Å; I1360-S1362 PolarHBondContact O-N 3.44Å; I1360-M1363 HydrophobicContact CG2-CB 3.8Å; I1360-M1363 HydrophobicContact CG2-CG 4.33Å; I1360-M1363 CarbonylContact O-C 3.53Å; I1360-M1363 PolarHBondContact O-N 3.06Å; I1360-W1366 HydrophobicContact CG2-CE3 3.96Å; I1360-F1385 HydrophobicContact CB-CD1 4.29Å; I1360-F1385 HydrophobicContact CB-CE1 4.11Å; I1360-F1385 HydrophobicContact CD1-CB 4.31Å; I1360-F1385 HydrophobicContact CD1-CD1 3.67Å; I1360-F1385 HydrophobicContact CD1-CE1 4.14Å; I1360-F1385 HydrophobicContact CD1-CG 3.96Å; I1360-F1385 HydrophobicContact CG2-CD1 4.42Å; I1360-I1394 HydrophobicContact CG1-CG1 4.31Å |
| 1361 | S | 86.9 | Confident | 88.9 | Confident | 52 Ų | 52 | 62.8 Ų | 62.8 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -29 | -176.7 | 65.3 | 0 | 0 | 0 | 0 | 113.7 | M1363 G1392 D1393 | S1361-M1363 VanDerWaalsContact C-N 3.28Å; S1361-M1363 PolarHBondContact O-N 2.83Å; S1361-G1392 WeakPolarHBondContact OG-CA 3.12Å; S1361-D1393 WeakPolarHBondContact CB-O 3.23Å; S1361-D1393 WeakPolarHBondContact CB-OD1 3.35Å; S1361-D1393 PolarHBondContact N-O 3.23Å; S1361-D1393 PolarHBondContact OG-N 2.76Å; S1361-D1393 PolarHBondContact OG-O 2.76Å; S1361-D1393 PolarHBondContact OG-OD1 2.87Å |
| 1362 | S | 87.1 | Confident | 89.1 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -22.7 | 179.8 | 61.4 | 0 | 0 | 0 | 0 | 113.5 | I1360 N1389 | I1360-S1362 WeakPolarHBondContact CD1-OG 3.37Å; I1360-S1362 WeakPolarHBondContact CG1-OG 3.18Å; I1360-S1362 PolarHBondContact O-N 3.44Å; S1362-N1389 WeakPolarHBondContact CB-O 3.43Å; S1362-N1389 PolarHBondContact OG-O 3.04Å |
| 1363 | M | 86.4 | Confident | 89 | Confident | 41 Ų | 41 | 60 Ų | 60 | 20% | 0.202 | 30% | 0.301 | C | S | . | . | trans | -134.3 | 90.1 | -176.4 | -62.8 | 177.3 | 65.8 | 0 | 0 | 110.2 | I1360 S1361 T1365 W1366 P1386 N1389 | I1360-M1363 HydrophobicContact CG2-CB 3.8Å; I1360-M1363 HydrophobicContact CG2-CG 4.33Å; I1360-M1363 CarbonylContact O-C 3.53Å; I1360-M1363 PolarHBondContact O-N 3.06Å; S1361-M1363 VanDerWaalsContact C-N 3.28Å; S1361-M1363 PolarHBondContact O-N 2.83Å; M1363-T1365 PolarHBondContact O-N 2.85Å; M1363-T1365 VanDerWaalsContact O-N 3.11Å; M1363-W1366 HydrophobicContact CB-CB 3.91Å; M1363-W1366 HydrophobicContact CE-CB 4.1Å; M1363-W1366 PolarHBondContact O-N 2.99Å; M1363-W1366 VanDerWaalsContact O-N 3.14Å; M1363-P1386 HydrophobicContact SD-CG 4.13Å; M1363-N1389 HydrophobicContact CG-CB 3.79Å; M1363-N1389 HydrophobicContact SD-CB 3.72Å; M1363-N1389 PolarHBondContact SD-ND2 3.17Å; M1363-N1389 VanDerWaalsContact SD-ND2 3.36Å | ||
| 1364 | S | 80.1 | Confident | 88.7 | Confident | 116 Ų | 116 | 53.1 Ų | 53.1 | 81% | 0.811 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24 | -178.4 | 59.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1365 | T | 84 | Confident | 88.4 | Confident | 124 Ų | 124 | 58.7 Ų | 58.7 | 76% | 0.761 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -17.6 | -179.5 | 54.1 | 0 | 0 | 0 | 0 | 114 | M1363 | M1363-T1365 PolarHBondContact O-N 2.85Å; M1363-T1365 VanDerWaalsContact O-N 3.11Å |
| 1366 | W | 83.5 | Confident | 88.1 | Confident | 66 Ų | 66 | 60.4 Ų | 60.4 | 25% | 0.25 | 32% | 0.315 | C | S | . | . | trans | -88.4 | 118.2 | -175.9 | -175 | 90.7 | 0 | 0 | 0 | 109.8 | E1358 I1360 M1363 N1368 T1383 F1385 | E1358-W1366 HydrophobicContact CB-CH2 4.39Å; E1358-W1366 HydrophobicContact CB-CZ3 4.2Å; I1360-W1366 HydrophobicContact CG2-CE3 3.96Å; M1363-W1366 HydrophobicContact CB-CB 3.91Å; M1363-W1366 HydrophobicContact CE-CB 4.1Å; M1363-W1366 PolarHBondContact O-N 2.99Å; M1363-W1366 VanDerWaalsContact O-N 3.14Å; W1366-N1368 HydrophobicContact CH2-CB 3.53Å; W1366-N1368 HydrophobicContact CZ2-CB 3.65Å; W1366-N1368 HydrophobicContact CZ3-CB 4.16Å; W1366-T1383 HydrophobicContact CH2-CG2 3.47Å; W1366-T1383 VanDerWaalsContact CH2-CG2 3.47Å; W1366-T1383 HydrophobicContact CZ2-CG2 3.54Å; W1366-F1385 HydrophobicContact CE3-CE1 4.31Å; W1366-F1385 HydrophobicContact CH2-CD1 4.16Å; W1366-F1385 AromaticContact CH2-CE1 3.52Å; W1366-F1385 HydrophobicContact CH2-CE1 3.52Å; W1366-F1385 HydrophobicContact CH2-CZ 4.34Å; W1366-F1385 HydrophobicContact CZ2-CE1 4.34Å; W1366-F1385 HydrophobicContact CZ3-CD1 4.24Å; W1366-F1385 AromaticContact CZ3-CE1 3.52Å; W1366-F1385 HydrophobicContact CZ3-CE1 3.52Å; W1366-F1385 HydrophobicContact CZ3-CZ 4.47Å | ||
| 1367 | T | 85 | Confident | 87.9 | Confident | 90 Ų | 90 | 61 Ų | 61 | 55% | 0.552 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 129.2 | 174.2 | 61.7 | 0 | 0 | 0 | 0 | 108.5 | E1358 K1359 | E1358-T1367 WeakPolarHBondContact O-CA 3.45Å; K1359-T1367 HydrophobicContact CD-CG2 4.06Å; K1359-T1367 HydrophobicContact CG-CG2 4Å |
| 1368 | N | 89.5 | Confident | 87.5 | Confident | 52 Ų | 52 | 59.1 Ų | 59.1 | 28% | 0.278 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 143.1 | 176.6 | -174.3 | 30.1 | 0 | 0 | 0 | 109.5 | E1358 W1366 T1383 | E1358-N1368 HydrophobicContact CB-CB 4.33Å; E1358-N1368 PolarHBondContact N-O 2.93Å; E1358-N1368 PolarHBondContact O-N 3.41Å; E1358-N1368 VanDerWaalsContact O-N 3.12Å; E1358-N1368 PolarHBondContact OE2-ND2 3.27Å; E1358-N1368 VanDerWaalsContact OE2-ND2 3.14Å; W1366-N1368 HydrophobicContact CH2-CB 3.53Å; W1366-N1368 HydrophobicContact CZ2-CB 3.65Å; W1366-N1368 HydrophobicContact CZ3-CB 4.16Å; N1368-T1383 PolarHBondContact ND2-OG1 3.4Å |
| 1369 | R | 92.5 | Very high | 87.3 | Confident | 102 Ų | 102 | 61.2 Ų | 61.2 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 114.2 | 178.2 | -172.9 | 165.7 | -161.3 | 177.1 | 8.1 | 110 | I1356 D1357 Y1371 E1399 | I1356-R1369 CarbonylContact O-C 3.53Å; I1356-R1369 VanDerWaalsContact O-CA 3.26Å; I1356-R1369 WeakPolarHBondContact O-CA 3.39Å; D1357-R1369 WeakPolarHBondContact OD1-CD 3.32Å; D1357-R1369 WeakPolarHBondContact OD1-CG 3.16Å; D1357-R1369 IonicContact OD1-CZ 3.67Å; D1357-R1369 IonicContact OD1-NE 3.01Å; D1357-R1369 PolarHBondContact OD1-NE 3.45Å; R1369-Y1371 WeakPolarHBondContact CD-OH 3.11Å; R1369-Y1371 HydrophobicContact CG-CE1 4.49Å; R1369-Y1371 HydrophobicContact CG-CE2 4.04Å; R1369-E1399 IonicContact NH2-OE2 2.87Å; R1369-E1399 PolarHBondContact NH2-OE2 3.12Å |
| 1370 | I | 92 | Very high | 87.1 | Confident | 17 Ų | 17 | 57.4 Ų | 57.4 | 9% | 0.087 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 134.7 | 179.4 | -57 | -173.6 | 0 | 0 | 0 | 109.1 | V974 A1355 I1356 E1358 T1381 | V974-I1370 HydrophobicContact CB-CD1 4.45Å; V974-I1370 HydrophobicContact CG2-CD1 4.07Å; A1355-I1370 CarbonylContact C-O 3.57Å; A1355-I1370 VanDerWaalsContact CA-O 3.3Å; A1355-I1370 WeakPolarHBondContact CA-O 3.22Å; I1356-I1370 HydrophobicContact CB-CB 4.44Å; I1356-I1370 PolarHBondContact N-O 3.05Å; I1356-I1370 PolarHBondContact O-N 2.87Å; E1358-I1370 WeakPolarHBondContact OE1-CD1 3.38Å; I1370-T1381 HydrophobicContact CG2-CG2 4.21Å |
| 1371 | Y | 93.4 | Very high | 87.1 | Confident | 146 Ų | 146 | 59.1 Ų | 59.1 | 57% | 0.573 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 129.8 | 175.7 | -65.4 | -83.2 | 0 | 0 | 0 | 110.3 | M1354 A1355 R1369 N1376 | M1354-Y1371 WeakPolarHBondContact O-CA 3.3Å; A1355-Y1371 HydrophobicContact CB-CD1 3.8Å; A1355-Y1371 HydrophobicContact CB-CE1 3.82Å; R1369-Y1371 WeakPolarHBondContact CD-OH 3.11Å; R1369-Y1371 HydrophobicContact CG-CE1 4.49Å; R1369-Y1371 HydrophobicContact CG-CE2 4.04Å; Y1371-N1376 PolarHBondContact O-ND2 3.22Å |
| 1372 | I | 90.3 | Very high | 87.2 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.036 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 128.2 | 175.7 | -57.2 | 174.1 | 0 | 0 | 0 | 108.7 | V974 R1353 M1354 I1356 N1376 V1404 | V974-I1372 HydrophobicContact CG1-CD1 3.67Å; R1353-I1372 CarbonylContact C-O 3.58Å; R1353-I1372 WeakPolarHBondContact CA-O 3.32Å; M1354-I1372 HydrophobicContact CB-CB 4.31Å; M1354-I1372 HydrophobicContact CE-CB 4.02Å; M1354-I1372 HydrophobicContact CE-CD1 4.24Å; M1354-I1372 HydrophobicContact CE-CG2 3.66Å; M1354-I1372 PolarHBondContact N-O 3.15Å; M1354-I1372 PolarHBondContact O-N 3.06Å; I1356-I1372 HydrophobicContact CD1-CD1 3.98Å; I1372-N1376 VanDerWaalsContact CA-OD1 3.23Å; I1372-N1376 WeakPolarHBondContact CA-OD1 3.48Å; I1372-V1404 HydrophobicContact CD1-CG1 4.34Å; I1372-V1404 HydrophobicContact CD1-CG2 4.13Å |
| 1373 | D | 88.8 | Confident | 87.3 | Confident | 58 Ų | 58 | 61.2 Ų | 61.2 | 31% | 0.31 | 32% | 0.319 | S | S | . | . | trans | -131.5 | -175.1 | -179.7 | 78.6 | -10.7 | 0 | 0 | 0 | 111.4 | Y1352 H1375 N1376 Y1377 | Y1352-D1373 CarbonylContact O-C 3.59Å; D1373-H1375 PolarHBondContact O-N 2.99Å; D1373-H1375 WeakPolarHBondContact OD1-CA 3.44Å; D1373-H1375 WeakPolarHBondContact OD1-CB 3.21Å; D1373-H1375 PolarHBondContact OD1-N 2.98Å; D1373-H1375 IonicContact OD1-ND1 2.65Å; D1373-H1375 IonicContact OD2-CG 2.74Å; D1373-H1375 IonicContact OD2-ND1 3.28Å; D1373-H1375 PolarHBondContact OD2-ND1 3.42Å; D1373-N1376 PolarHBondContact N-OD1 3.03Å; D1373-N1376 PolarHBondContact O-N 3.29Å; D1373-N1376 PolarHBondContact O-OD1 3.28Å; D1373-N1376 PolarHBondContact OD1-N 3.42Å; D1373-N1376 PolarHBondContact OD1-OD1 2.85Å; D1373-N1376 VanDerWaalsContact OD1-OD1 3.08Å; D1373-Y1377 WeakPolarHBondContact O-CB 3.39Å; D1373-Y1377 PolarHBondContact O-N 3.17Å; D1373-Y1377 VanDerWaalsContact O-N 3.16Å | ||
| 1374 | T | 85.6 | Confident | 87.5 | Confident | 55 Ų | 55 | 63.8 Ų | 63.8 | 34% | 0.337 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -12.2 | 179.1 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | Y1352 Y1377 | Y1352-T1374 PolarHBondContact O-N 3.18Å; T1374-Y1377 WeakPolarHBondContact O-CD1 3.17Å; T1374-Y1377 VanDerWaalsContact O-CE1 3.28Å; T1374-Y1377 WeakPolarHBondContact O-CE1 3.45Å |
| 1375 | H | 84.6 | Confident | 87.8 | Confident | 121 Ų | 121 | 58.6 Ų | 58.6 | 56% | 0.56 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -30 | 179.9 | -53.9 | 93.5 | 0 | 0 | 0 | 112.3 | D1373 | D1373-H1375 PolarHBondContact O-N 2.99Å; D1373-H1375 WeakPolarHBondContact OD1-CA 3.44Å; D1373-H1375 WeakPolarHBondContact OD1-CB 3.21Å; D1373-H1375 PolarHBondContact OD1-N 2.98Å; D1373-H1375 IonicContact OD1-ND1 2.65Å; D1373-H1375 IonicContact OD2-CG 2.74Å; D1373-H1375 IonicContact OD2-ND1 3.28Å; D1373-H1375 PolarHBondContact OD2-ND1 3.42Å |
| 1376 | N | 87.3 | Confident | 87.8 | Confident | 45 Ų | 45 | 55.2 Ų | 55.2 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -1.3 | -172 | 76.4 | 2.9 | 0 | 0 | 0 | 114.6 | Y1371 I1372 D1373 S1378 T1379 | Y1371-N1376 PolarHBondContact O-ND2 3.22Å; I1372-N1376 VanDerWaalsContact CA-OD1 3.23Å; I1372-N1376 WeakPolarHBondContact CA-OD1 3.48Å; D1373-N1376 PolarHBondContact N-OD1 3.03Å; D1373-N1376 PolarHBondContact O-N 3.29Å; D1373-N1376 PolarHBondContact O-OD1 3.28Å; D1373-N1376 PolarHBondContact OD1-N 3.42Å; D1373-N1376 PolarHBondContact OD1-OD1 2.85Å; D1373-N1376 VanDerWaalsContact OD1-OD1 3.08Å; N1376-S1378 PolarHBondContact O-N 3.23Å; N1376-S1378 VanDerWaalsContact O-N 3.11Å; N1376-T1379 PolarHBondContact O-N 2.85Å; N1376-T1379 PolarHBondContact O-OG1 3.45Å |
| 1377 | Y | 87.2 | Confident | 87.4 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -28.1 | -175.8 | 72.6 | -87.3 | 0 | 0 | 0 | 114.8 | G976 D977 Y1019 Y1352 D1373 T1374 | G976-Y1377 CarbonylContact C-O 3.54Å; G976-Y1377 VanDerWaalsContact CA-O 3.23Å; G976-Y1377 WeakPolarHBondContact CA-O 3.47Å; G976-Y1377 PolarHBondContact N-O 2.95Å; D977-Y1377 HydrophobicContact CB-CD2 4.23Å; Y1019-Y1377 WeakPolarHBondContact OH-CE2 3.1Å; Y1352-Y1377 HydrophobicContact CD2-CD2 4.19Å; Y1352-Y1377 HydrophobicContact CD2-CG 4.07Å; Y1352-Y1377 HydrophobicContact CE2-CD2 4.33Å; D1373-Y1377 WeakPolarHBondContact O-CB 3.39Å; D1373-Y1377 PolarHBondContact O-N 3.17Å; D1373-Y1377 VanDerWaalsContact O-N 3.16Å; T1374-Y1377 WeakPolarHBondContact O-CD1 3.17Å; T1374-Y1377 VanDerWaalsContact O-CE1 3.28Å; T1374-Y1377 WeakPolarHBondContact O-CE1 3.45Å |
| 1378 | S | 84.8 | Confident | 87 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -17.2 | 177.3 | 63.9 | 0 | 0 | 0 | 0 | 113.4 | A982 N1376 | A982-S1378 WeakPolarHBondContact CB-O 3.19Å; A982-S1378 PolarHBondContact N-O 2.87Å; A982-S1378 VanDerWaalsContact N-O 3.15Å; N1376-S1378 PolarHBondContact O-N 3.23Å; N1376-S1378 VanDerWaalsContact O-N 3.11Å |
| 1379 | T | 85.8 | Confident | 86.8 | Confident | 43 Ų | 43 | 56.9 Ų | 56.9 | 26% | 0.264 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -84.8 | 139.1 | -179.2 | 66.8 | 0 | 0 | 0 | 0 | 110.8 | N1376 | N1376-T1379 PolarHBondContact O-N 2.85Å; N1376-T1379 PolarHBondContact O-OG1 3.45Å |
| 1380 | V | 86.5 | Confident | 86.5 | Confident | 30 Ų | 30 | 52.1 Ų | 52.1 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -82.8 | 129.9 | 175.3 | 62.6 | 0 | 0 | 0 | 0 | 110.9 | V975 P981 H1382 | V975-V1380 HydrophobicContact CG2-CB 3.97Å; V975-V1380 HydrophobicContact CG2-CG2 3.9Å; P981-V1380 HydrophobicContact CB-CB 3.88Å; P981-V1380 HydrophobicContact CB-CG1 3.97Å; P981-V1380 HydrophobicContact CB-CG2 4.47Å; V1380-H1382 VanDerWaalsContact CG2-CE1 3.5Å; V1380-H1382 WeakPolarHBondContact CG2-CE1 3.39Å |
| 1381 | T | 88.5 | Confident | 86.4 | Confident | 41 Ų | 41 | 54.6 Ų | 54.6 | 25% | 0.252 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 120.4 | 168.7 | 54.6 | 0 | 0 | 0 | 0 | 109.1 | V974 I1370 | V974-T1381 WeakPolarHBondContact CB-OG1 3.44Å; V974-T1381 PolarHBondContact N-O 3.45Å; V974-T1381 PolarHBondContact O-N 2.84Å; V974-T1381 PolarHBondContact O-OG1 2.74Å; I1370-T1381 HydrophobicContact CG2-CG2 4.21Å |
| 1382 | H | 87.6 | Confident | 86.2 | Confident | 106 Ų | 106 | 48.8 Ų | 48.8 | 49% | 0.491 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 125.9 | 178.2 | -67 | -58.9 | 0 | 0 | 0 | 111.1 | I971 L972 S973 V1380 | I971-H1382 HydrophobicContact CG2-CB 4.01Å; L972-H1382 CarbonylContact O-C 3.56Å; L972-H1382 WeakPolarHBondContact O-CA 3.39Å; S973-H1382 PolarHBondContact OG-CE1 3.42Å; S973-H1382 PolarHBondContact OG-ND1 3.15Å; V1380-H1382 VanDerWaalsContact CG2-CE1 3.5Å; V1380-H1382 WeakPolarHBondContact CG2-CE1 3.39Å |
| 1383 | T | 90.7 | Very high | 86.2 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 8% | 0.08 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 109.6 | 165.9 | -49.6 | 0 | 0 | 0 | 0 | 109.2 | I971 L972 E1358 W1366 N1368 F1385 | I971-T1383 WeakPolarHBondContact CA-O 3.48Å; L972-T1383 PolarHBondContact N-O 2.83Å; L972-T1383 PolarHBondContact O-N 2.83Å; E1358-T1383 PolarHBondContact OE2-OG1 2.93Å; W1366-T1383 HydrophobicContact CH2-CG2 3.47Å; W1366-T1383 VanDerWaalsContact CH2-CG2 3.47Å; W1366-T1383 HydrophobicContact CZ2-CG2 3.54Å; N1368-T1383 PolarHBondContact ND2-OG1 3.4Å; T1383-F1385 HydrophobicContact CG2-CE1 4.39Å; T1383-F1385 HydrophobicContact CG2-CZ 4.41Å |
| 1384 | T | 89.2 | Confident | 86.3 | Confident | 94 Ų | 94 | 47.3 Ų | 47.3 | 58% | 0.577 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 120.1 | 174.5 | 56.6 | 0 | 0 | 0 | 0 | 110.1 | I971 | I971-T1384 HydrophobicContact CD1-CG2 4.49Å; I971-T1384 HydrophobicContact CG1-CG2 4.2Å; I971-T1384 HydrophobicContact CG2-CG2 4.31Å |
| 1385 | F | 88.1 | Confident | 86.5 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.035 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 145.9 | 178.6 | -60.7 | -79.5 | 0 | 0 | 0 | 111.7 | A970 L972 I1360 W1366 T1383 V1390 I1394 L1408 | A970-F1385 HydrophobicContact CB-CD2 3.83Å; A970-F1385 WeakPolarHBondContact O-CD2 3.43Å; A970-F1385 PolarHBondContact O-N 3.17Å; L972-F1385 HydrophobicContact CB-CE2 3.83Å; L972-F1385 HydrophobicContact CB-CZ 4.15Å; L972-F1385 HydrophobicContact CD2-CZ 4.48Å; I1360-F1385 HydrophobicContact CB-CD1 4.29Å; I1360-F1385 HydrophobicContact CB-CE1 4.11Å; I1360-F1385 HydrophobicContact CD1-CB 4.31Å; I1360-F1385 HydrophobicContact CD1-CD1 3.67Å; I1360-F1385 HydrophobicContact CD1-CE1 4.14Å; I1360-F1385 HydrophobicContact CD1-CG 3.96Å; I1360-F1385 HydrophobicContact CG2-CD1 4.42Å; W1366-F1385 HydrophobicContact CE3-CE1 4.31Å; W1366-F1385 HydrophobicContact CH2-CD1 4.16Å; W1366-F1385 AromaticContact CH2-CE1 3.52Å; W1366-F1385 HydrophobicContact CH2-CE1 3.52Å; W1366-F1385 HydrophobicContact CH2-CZ 4.34Å; W1366-F1385 HydrophobicContact CZ2-CE1 4.34Å; W1366-F1385 HydrophobicContact CZ3-CD1 4.24Å; W1366-F1385 AromaticContact CZ3-CE1 3.52Å; W1366-F1385 HydrophobicContact CZ3-CE1 3.52Å; W1366-F1385 HydrophobicContact CZ3-CZ 4.47Å; T1383-F1385 HydrophobicContact CG2-CE1 4.39Å; T1383-F1385 HydrophobicContact CG2-CZ 4.41Å; F1385-V1390 HydrophobicContact CB-CG2 4.11Å; F1385-I1394 HydrophobicContact CD2-CD1 4.3Å; F1385-I1394 HydrophobicContact CE2-CD1 3.44Å; F1385-I1394 VanDerWaalsContact CE2-CD1 3.44Å; F1385-I1394 HydrophobicContact CE2-CG1 4.43Å; F1385-I1394 HydrophobicContact CZ-CD1 3.57Å; F1385-I1394 HydrophobicContact CZ-CG1 4.18Å; F1385-I1394 HydrophobicContact CZ-CG2 4.41Å; F1385-L1408 HydrophobicContact CE2-CD1 4.43Å |
| 1386 | P | 83.4 | Confident | 86.8 | Confident | 52 Ų | 52 | 41.2 Ų | 41.2 | 34% | 0.338 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -60.8 | 132.4 | 177.1 | -22 | 32.6 | 0 | 0 | 0 | 111.8 | M1363 D1388 N1389 V1390 | M1363-P1386 HydrophobicContact SD-CG 4.13Å; P1386-D1388 PolarHBondContact O-N 2.9Å; P1386-N1389 PolarHBondContact O-N 3.41Å; P1386-N1389 VanDerWaalsContact O-N 3.1Å; P1386-V1390 VanDerWaalsContact O-CG2 3.24Å; P1386-V1390 WeakPolarHBondContact O-CG2 3.5Å |
| 1387 | P | 74.8 | Confident | 87 | Confident | 65 Ų | 65 | 42.1 Ų | 42.1 | 42% | 0.422 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -56.8 | -43.2 | -169.2 | 20.5 | -32.3 | 0 | 0 | 0 | 113.2 | Q968 N1389 V1390 | Q968-P1387 VanDerWaalsContact CD-O 3.3Å; Q968-P1387 WeakPolarHBondContact CG-O 3.47Å; Q968-P1387 PolarHBondContact NE2-O 2.86Å; P1387-N1389 PolarHBondContact O-N 2.9Å; P1387-N1389 VanDerWaalsContact O-N 3.09Å; P1387-V1390 PolarHBondContact O-N 3.03Å |
| 1388 | D | 77.5 | Confident | 87.2 | Confident | 122 Ų | 122 | 41.6 Ų | 41.6 | 65% | 0.652 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -66.1 | -18.4 | -176.1 | -62.9 | -32.3 | 0 | 0 | 0 | 114.1 | P1386 | P1386-D1388 PolarHBondContact O-N 2.9Š|
| 1389 | N | 84 | Confident | 87.5 | Confident | 57 Ų | 57 | 44 Ų | 44 | 31% | 0.305 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -114.9 | 20.3 | -177.7 | -64.9 | -34.2 | 0 | 0 | 0 | 112.8 | S1362 M1363 P1386 P1387 W1391 | S1362-N1389 WeakPolarHBondContact CB-O 3.43Å; S1362-N1389 PolarHBondContact OG-O 3.04Å; M1363-N1389 HydrophobicContact CG-CB 3.79Å; M1363-N1389 HydrophobicContact SD-CB 3.72Å; M1363-N1389 PolarHBondContact SD-ND2 3.17Å; M1363-N1389 VanDerWaalsContact SD-ND2 3.36Å; P1386-N1389 PolarHBondContact O-N 3.41Å; P1386-N1389 VanDerWaalsContact O-N 3.1Å; P1387-N1389 PolarHBondContact O-N 2.9Å; P1387-N1389 VanDerWaalsContact O-N 3.09Å; N1389-W1391 PolarHBondContact O-N 2.95Å; N1389-W1391 VanDerWaalsContact O-N 3.1Å |
| 1390 | V | 87.4 | Confident | 87.7 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | trans | -83 | 82 | 176.1 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | I947 V949 Q968 A970 F1385 P1386 P1387 | I947-V1390 HydrophobicContact CD1-CG1 4.39Å; I947-V1390 HydrophobicContact CG2-CG1 3.68Å; V949-V1390 WeakPolarHBondContact CB-O 3.49Å; V949-V1390 WeakPolarHBondContact CG1-O 3.42Å; V949-V1390 HydrophobicContact CG2-CG1 4.42Å; Q968-V1390 HydrophobicContact CB-CB 4.29Å; Q968-V1390 HydrophobicContact CB-CG1 4.5Å; Q968-V1390 HydrophobicContact CG-CB 3.88Å; Q968-V1390 HydrophobicContact CG-CG2 4.46Å; A970-V1390 HydrophobicContact CB-CG1 3.46Å; A970-V1390 VanDerWaalsContact CB-CG1 3.46Å; A970-V1390 HydrophobicContact CB-CG2 4.43Å; F1385-V1390 HydrophobicContact CB-CG2 4.11Å; P1386-V1390 VanDerWaalsContact O-CG2 3.24Å; P1386-V1390 WeakPolarHBondContact O-CG2 3.5Å; P1387-V1390 PolarHBondContact O-N 3.03Å | ||
| 1391 | W | 89.2 | Confident | 87.9 | Confident | 68 Ų | 68 | 44.7 Ų | 44.7 | 26% | 0.258 | 25% | 0.253 | S | S | . | . | trans | -161.3 | 162.5 | 172.6 | 59.5 | -87.9 | 0 | 0 | 0 | 111 | Q951 N1389 | Q951-W1391 HydrophobicContact CB-CD2 3.97Å; Q951-W1391 HydrophobicContact CB-CE3 4.03Å; Q951-W1391 HydrophobicContact CB-CG 4.18Å; Q951-W1391 HydrophobicContact CG-CD2 3.72Å; Q951-W1391 HydrophobicContact CG-CE3 3.97Å; Q951-W1391 HydrophobicContact CG-CG 4.18Å; Q951-W1391 HydrophobicContact CG-CH2 4.32Å; Q951-W1391 HydrophobicContact CG-CZ2 4.08Å; Q951-W1391 HydrophobicContact CG-CZ3 4.26Å; Q951-W1391 VanDerWaalsContact NE2-CH2 3.34Å; N1389-W1391 PolarHBondContact O-N 2.95Å; N1389-W1391 VanDerWaalsContact O-N 3.1Å | ||
| 1392 | G | 89.3 | Confident | 87.9 | Confident | 24 Ų | 24 | 42.7 Ų | 42.7 | 25% | 0.247 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 88.8 | -133.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I947 S1361 | I947-G1392 PolarHBondContact N-O 2.84Å; S1361-G1392 WeakPolarHBondContact OG-CA 3.12Å |
| 1393 | D | 89.8 | Confident | 88 | Confident | 35 Ų | 35 | 38 Ų | 38 | 19% | 0.187 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 152.7 | -174.9 | 65.4 | -49 | 0 | 0 | 0 | 113 | N944 F945 I1272 S1361 | N944-D1393 HydrophobicContact CB-CB 4.2Å; N944-D1393 PolarHBondContact ND2-OD2 3.27Å; F945-D1393 CarbonylContact O-C 3.58Å; F945-D1393 VanDerWaalsContact O-CA 3.26Å; F945-D1393 WeakPolarHBondContact O-CA 3.39Å; I1272-D1393 HydrophobicContact CG2-CB 4.47Å; S1361-D1393 WeakPolarHBondContact CB-O 3.23Å; S1361-D1393 WeakPolarHBondContact CB-OD1 3.35Å; S1361-D1393 PolarHBondContact N-O 3.23Å; S1361-D1393 PolarHBondContact OG-N 2.76Å; S1361-D1393 PolarHBondContact OG-O 2.76Å; S1361-D1393 PolarHBondContact OG-OD1 2.87Å |
| 1394 | I | 90.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119.4 | 176.7 | -57.2 | 170.6 | 0 | 0 | 0 | 107.9 | N944 F945 I947 L972 K1359 I1360 F1385 M1396 L1408 | N944-I1394 CarbonylContact C-O 3.59Å; N944-I1394 VanDerWaalsContact CA-O 3.28Å; N944-I1394 WeakPolarHBondContact CA-O 3.48Å; F945-I1394 HydrophobicContact CB-CB 4.47Å; F945-I1394 PolarHBondContact N-O 2.77Å; F945-I1394 PolarHBondContact O-N 3.39Å; I947-I1394 HydrophobicContact CD1-CD1 4.11Å; I947-I1394 HydrophobicContact CD1-CG1 4Å; I947-I1394 HydrophobicContact CG1-CD1 4.33Å; I947-I1394 HydrophobicContact CG1-CG1 4.38Å; L972-I1394 HydrophobicContact CD2-CG2 4.42Å; K1359-I1394 CarbonylContact O-C 3.54Å; K1359-I1394 WeakPolarHBondContact O-CA 3.19Å; I1360-I1394 HydrophobicContact CG1-CG1 4.31Å; F1385-I1394 HydrophobicContact CD2-CD1 4.3Å; F1385-I1394 HydrophobicContact CE2-CD1 3.44Å; F1385-I1394 VanDerWaalsContact CE2-CD1 3.44Å; F1385-I1394 HydrophobicContact CE2-CG1 4.43Å; F1385-I1394 HydrophobicContact CZ-CD1 3.57Å; F1385-I1394 HydrophobicContact CZ-CG1 4.18Å; F1385-I1394 HydrophobicContact CZ-CG2 4.41Å; I1394-M1396 HydrophobicContact CG2-CG 4.01Å; I1394-M1396 HydrophobicContact CG2-SD 4.4Å; I1394-L1408 HydrophobicContact CD1-CD1 3.5Å; I1394-L1408 VanDerWaalsContact CD1-CD1 3.5Å; I1394-L1408 HydrophobicContact CD1-CD2 3.91Å; I1394-L1408 HydrophobicContact CD1-CG 4.32Å |
| 1395 | T | 89.7 | Confident | 88.1 | Confident | 41 Ų | 41 | 32.9 Ų | 32.9 | 25% | 0.252 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 130.5 | 174.8 | 71.2 | 0 | 0 | 0 | 0 | 109.4 | N944 K1359 | N944-T1395 WeakPolarHBondContact ND2-CG2 3.38Å; N944-T1395 WeakPolarHBondContact OD1-CG2 3.4Å; K1359-T1395 PolarHBondContact N-O 2.78Å; K1359-T1395 PolarHBondContact O-N 2.9Å |
| 1396 | M | 91.1 | Very high | 88.3 | Confident | 6 Ų | 6 | 32.5 Ų | 32.5 | 3% | 0.03 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 139.8 | -179 | -63 | 169.8 | -74.3 | 0 | 0 | 110.9 | V942 F945 L972 D1357 E1358 I1394 L1398 L1406 | V942-M1396 HydrophobicContact CB-CB 4.1Å; V942-M1396 HydrophobicContact CB-CE 4.36Å; V942-M1396 HydrophobicContact CG1-CE 4.05Å; V942-M1396 HydrophobicContact CG2-CB 3.83Å; V942-M1396 PolarHBondContact N-O 3Å; V942-M1396 VanDerWaalsContact N-O 3.12Å; F945-M1396 HydrophobicContact CD1-CE 4.27Å; F945-M1396 HydrophobicContact CD2-CE 3.54Å; F945-M1396 HydrophobicContact CE1-CE 4.34Å; F945-M1396 HydrophobicContact CE2-CE 3.65Å; F945-M1396 HydrophobicContact CG-CE 3.9Å; F945-M1396 HydrophobicContact CZ-CE 4.07Å; L972-M1396 HydrophobicContact CD1-SD 3.95Å; L972-M1396 HydrophobicContact CD2-SD 3.7Å; L972-M1396 HydrophobicContact CG-SD 4.46Å; D1357-M1396 CarbonylContact O-C 3.47Å; D1357-M1396 VanDerWaalsContact O-CA 3.28Å; D1357-M1396 WeakPolarHBondContact O-CA 3.4Å; E1358-M1396 HydrophobicContact CG-CG 4.46Å; I1394-M1396 HydrophobicContact CG2-CG 4.01Å; I1394-M1396 HydrophobicContact CG2-SD 4.4Å; M1396-L1398 HydrophobicContact CB-CD1 4.46Å; M1396-L1406 HydrophobicContact CE-CD1 3.95Å; M1396-L1406 HydrophobicContact SD-CD1 3.89Å; M1396-L1406 HydrophobicContact SD-CD2 4.31Å |
| 1397 | K | 91.4 | Very high | 88.7 | Confident | 65 Ų | 65 | 30 Ų | 30 | 28% | 0.283 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 123.7 | 174 | -175.9 | -166.4 | -173.9 | -159.1 | 0 | 109.1 | F941 I1356 D1357 E1399 | F941-K1397 HydrophobicContact CD1-CB 4.21Å; F941-K1397 HydrophobicContact CD1-CG 3.91Å; F941-K1397 HydrophobicContact CE1-CB 4.24Å; F941-K1397 HydrophobicContact CE1-CD 3.81Å; F941-K1397 HydrophobicContact CE1-CG 3.67Å; F941-K1397 HydrophobicContact CZ-CD 4.27Å; F941-K1397 HydrophobicContact CZ-CG 4.35Å; I1356-K1397 WeakPolarHBondContact CA-O 3.35Å; D1357-K1397 HydrophobicContact CB-CB 4.31Å; D1357-K1397 PolarHBondContact N-O 2.92Å; D1357-K1397 PolarHBondContact O-N 3.42Å; K1397-E1399 VanDerWaalsContact CE-OE1 3.25Å; K1397-E1399 WeakPolarHBondContact CE-OE1 3.18Å; K1397-E1399 IonicContact NZ-OE1 3.88Å; K1397-E1399 PolarHBondContact NZ-OE1 2.92Å |
| 1398 | L | 91.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 138.1 | 177.7 | -74.5 | 80.2 | 0 | 0 | 0 | 110.1 | L932 L934 T939 L940 V942 A1355 I1356 M1396 V1404 L1406 | L932-L1398 HydrophobicContact CD1-CD1 3.96Å; L932-L1398 HydrophobicContact CD1-CD2 4.01Å; L934-L1398 HydrophobicContact CD1-CB 4.27Å; L934-L1398 HydrophobicContact CD1-CD2 3.75Å; L934-L1398 HydrophobicContact CD2-CB 3.77Å; T939-L1398 WeakPolarHBondContact CA-O 3.21Å; L940-L1398 PolarHBondContact N-O 2.04Å; L940-L1398 PolarHBondContact O-N 2.92Å; V942-L1398 HydrophobicContact CG2-CD1 3.07Å; A1355-L1398 WeakPolarHBondContact O-CA 3.25Å; I1356-L1398 HydrophobicContact CB-CG 4.38Å; I1356-L1398 HydrophobicContact CD1-CD2 3.87Å; I1356-L1398 HydrophobicContact CD1-CG 4.04Å; I1356-L1398 HydrophobicContact CG1-CD2 4.2Å; I1356-L1398 HydrophobicContact CG1-CG 3.9Å; I1356-L1398 HydrophobicContact CG2-CD1 4.02Å; I1356-L1398 HydrophobicContact CG2-CG 4.06Å; M1396-L1398 HydrophobicContact CB-CD1 4.46Å; L1398-V1404 HydrophobicContact CD2-CB 3.87Å; L1398-V1404 HydrophobicContact CD2-CG1 4.15Å; L1398-V1404 HydrophobicContact CD2-CG2 3.76Å; L1398-L1406 HydrophobicContact CD1-CD1 4.06Å |
| 1399 | E | 92.4 | Very high | 90.3 | Very high | 51 Ų | 51 | 21.7 Ų | 21.7 | 24% | 0.238 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 142.1 | 175.4 | -53.3 | -174 | 152.2 | 0 | 0 | 109.4 | S938 T939 M1354 A1355 R1369 K1397 | S938-E1399 CarbonylContact O-C 3.52Å; S938-E1399 WeakPolarHBondContact O-CA 3.04Å; T939-E1399 HydrophobicContact CG2-CB 4.25Å; T939-E1399 HydrophobicContact CG2-CG 3.97Å; M1354-E1399 CarbonylContact C-O 3.58Å; M1354-E1399 VanDerWaalsContact CA-O 3.26Å; M1354-E1399 WeakPolarHBondContact CA-O 3.26Å; A1355-E1399 PolarHBondContact N-O 3.38Å; A1355-E1399 PolarHBondContact O-N 2.69Å; R1369-E1399 IonicContact NH2-OE2 2.87Å; R1369-E1399 PolarHBondContact NH2-OE2 3.12Å; K1397-E1399 VanDerWaalsContact CE-OE1 3.25Å; K1397-E1399 WeakPolarHBondContact CE-OE1 3.18Å; K1397-E1399 IonicContact NZ-OE1 3.88Å; K1397-E1399 PolarHBondContact NZ-OE1 2.92Å |
| 1400 | G | 90.4 | Very high | 90.7 | Very high | 28 Ų | 28 | 19.3 Ų | 19.3 | 29% | 0.289 | 11% | 0.11 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 120.2 | -152.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S938 R1353 | S938-G1400 WeakPolarHBondContact CA-O 3.19Å; S938-G1400 PolarHBondContact O-N 2.87Å; R1353-G1400 CarbonylContact O-C 3.47Å; R1353-G1400 VanDerWaalsContact O-CA 3.23Å; R1353-G1400 WeakPolarHBondContact O-CA 3.41Å |
| 1401 | T | 90.2 | Very high | 90.9 | Very high | 60 Ų | 60 | 21.3 Ų | 21.3 | 37% | 0.368 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 134.9 | -179.1 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | L1351 Y1352 R1353 M1354 | L1351-T1401 WeakPolarHBondContact O-CG2 3.35Å; Y1352-T1401 WeakPolarHBondContact CA-O 3.4Å; R1353-T1401 CarbonylContact C-O 3.45Å; R1353-T1401 PolarHBondContact N-O 3.4Å; R1353-T1401 PolarHBondContact O-N 3.25Å; M1354-T1401 VanDerWaalsContact CG-O 3.23Å; M1354-T1401 WeakPolarHBondContact CG-O 3.04Å |
| 1402 | G | 88.7 | Confident | 91.1 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 143 | -164.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | L934 Y1352 M1354 | L934-G1402 WeakPolarHBondContact CA-O 3.47Å; L934-G1402 WeakPolarHBondContact CB-O 2.74Å; L934-G1402 PolarHBondContact N-O 3.39Å; Y1352-G1402 VanDerWaalsContact CD1-CA 3.46Å; M1354-G1402 WeakPolarHBondContact SD-CA 3.12Å |
| 1403 | R | 88.1 | Confident | 91.2 | Very high | 6 Ų | 6 | 17.7 Ų | 17.7 | 2% | 0.023 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 137.4 | -179.7 | -73.2 | 169.9 | 168.3 | 174.5 | -2.9 | 109.3 | F931 L932 D933 G976 L1310 D1346 | F931-R1403 HydrophobicContact CE2-CB 3.88Å; F931-R1403 HydrophobicContact CE2-CG 4.43Å; F931-R1403 HydrophobicContact CZ-CB 3.97Å; F931-R1403 HydrophobicContact CZ-CG 4.02Å; L932-R1403 WeakPolarHBondContact O-CA 3.24Å; D933-R1403 HydrophobicContact CB-CG 4.38Å; D933-R1403 IonicContact OD1-NE 2.82Å; D933-R1403 IonicContact OD2-CZ 3.9Å; D933-R1403 IonicContact OD2-NE 3.7Å; D933-R1403 PolarHBondContact OD2-NE 2.62Å; D933-R1403 IonicContact OD2-NH2 3.42Å; D933-R1403 PolarHBondContact OD2-NH2 3.36Å; G976-R1403 CarbonylContact C-O 3.57Å; G976-R1403 WeakPolarHBondContact CA-O 3.35Å; G976-R1403 VanDerWaalsContact O-O 3.09Å; L1310-R1403 VanDerWaalsContact CD2-NH2 3.25Å; D1346-R1403 IonicContact OD1-NH1 3.19Å; D1346-R1403 IonicContact OD2-CZ 3.52Å; D1346-R1403 IonicContact OD2-NE 2.84Å; D1346-R1403 IonicContact OD2-NH1 2.68Å; D1346-R1403 PolarHBondContact OD2-NH1 3.49Å |
| 1404 | V | 90.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 135.6 | -177.1 | -176 | 0 | 0 | 0 | 0 | 110.7 | F931 L932 L934 V974 V975 M1354 I1356 I1372 L1398 L1406 | F931-V1404 WeakPolarHBondContact CD2-O 3.02Å; L932-V1404 PolarHBondContact N-O 2.95Å; L932-V1404 PolarHBondContact O-N 3.39Å; L934-V1404 HydrophobicContact CD1-CG2 4.23Å; V974-V1404 HydrophobicContact CG1-CG1 3.92Å; V975-V1404 CarbonylContact O-C 3.58Å; V975-V1404 WeakPolarHBondContact O-CA 3.28Å; V975-V1404 WeakPolarHBondContact O-CG1 3.49Å; M1354-V1404 HydrophobicContact CE-CG2 3.51Å; M1354-V1404 HydrophobicContact SD-CG2 3.23Å; M1354-V1404 WeakPolarHBondContact SD-CG2 3.01Å; I1356-V1404 HydrophobicContact CD1-CG1 3.79Å; I1356-V1404 HydrophobicContact CD1-CG2 4.38Å; I1372-V1404 HydrophobicContact CD1-CG1 4.34Å; I1372-V1404 HydrophobicContact CD1-CG2 4.13Å; L1398-V1404 HydrophobicContact CD2-CB 3.87Å; L1398-V1404 HydrophobicContact CD2-CG1 4.15Å; L1398-V1404 HydrophobicContact CD2-CG2 3.76Å; V1404-L1406 HydrophobicContact CG1-CD2 3.68Å; V1404-L1406 HydrophobicContact CG1-CG 3.97Å |
| 1405 | L | 91.8 | Very high | 91 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118.7 | 166.3 | -178.1 | 63.4 | 0 | 0 | 0 | 109.1 | F931 V975 D977 A1317 Q1407 | F931-L1405 HydrophobicContact CB-CD1 4.19Å; V975-L1405 HydrophobicContact CB-CB 4.5Å; V975-L1405 PolarHBondContact N-O 3.16Å; V975-L1405 PolarHBondContact O-N 2.96Å; D977-L1405 WeakPolarHBondContact O-CB 3.43Å; A1317-L1405 HydrophobicContact CB-CD1 3.82Å; L1405-Q1407 HydrophobicContact CD1-CG 4.42Å; L1405-Q1407 HydrophobicContact CG-CG 4.09Å |
| 1406 | L | 92.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 129.6 | 176.7 | -60.9 | 173.8 | 0 | 0 | 0 | 109.2 | A929 S930 L932 V942 F945 V974 I1356 M1396 L1398 V1404 | A929-L1406 CarbonylContact C-O 3.52Å; A929-L1406 WeakPolarHBondContact CA-O 3.24Å; S930-L1406 PolarHBondContact N-O 2.83Å; S930-L1406 PolarHBondContact O-N 2.95Å; L932-L1406 HydrophobicContact CD1-CD1 3.55Å; L932-L1406 HydrophobicContact CD1-CG 4.42Å; V942-L1406 HydrophobicContact CB-CD1 4.5Å; V942-L1406 HydrophobicContact CG1-CD1 3.95Å; V942-L1406 HydrophobicContact CG2-CD1 3.84Å; F945-L1406 HydrophobicContact CE2-CB 3.98Å; F945-L1406 HydrophobicContact CZ-CB 4.02Å; V974-L1406 HydrophobicContact CB-CD2 4.23Å; V974-L1406 HydrophobicContact CG1-CD2 3.95Å; V974-L1406 HydrophobicContact CG2-CD2 3.68Å; I1356-L1406 HydrophobicContact CD1-CD2 4.05Å; M1396-L1406 HydrophobicContact CE-CD1 3.95Å; M1396-L1406 HydrophobicContact SD-CD1 3.89Å; M1396-L1406 HydrophobicContact SD-CD2 4.31Å; L1398-L1406 HydrophobicContact CD1-CD1 4.06Å; V1404-L1406 HydrophobicContact CG1-CD2 3.68Å; V1404-L1406 HydrophobicContact CG1-CG 3.97Å |
| 1407 | Q | 92.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 124.9 | -176.2 | -71 | 172.5 | -25.3 | 0 | 0 | 110.9 | T928 A929 L972 S973 V1323 L1405 | T928-Q1407 CarbonylContact O-C 3.45Å; T928-Q1407 VanDerWaalsContact O-CA 3.3Å; T928-Q1407 WeakPolarHBondContact O-CA 3.47Å; A929-Q1407 HydrophobicContact CB-CG 3.93Å; L972-Q1407 CarbonylContact C-O 3.58Å; L972-Q1407 WeakPolarHBondContact CA-O 3.44Å; S973-Q1407 PolarHBondContact N-O 2.94Å; S973-Q1407 PolarHBondContact O-N 3.36Å; V1323-Q1407 PolarHBondContact O-NE2 3.4Å; V1323-Q1407 PolarHBondContact O-OE1 2.85Å; V1323-Q1407 VanDerWaalsContact O-OE1 3.08Å; L1405-Q1407 HydrophobicContact CD1-CG 4.42Å; L1405-Q1407 HydrophobicContact CG-CG 4.09Å |
| 1408 | L | 93.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 114.2 | 174.4 | 178.9 | 66.8 | 0 | 0 | 0 | 109.6 | H927 T928 F945 I947 A970 L972 F1385 I1394 | H927-L1408 WeakPolarHBondContact CA-O 3.37Å; T928-L1408 PolarHBondContact N-O 3.17Å; T928-L1408 PolarHBondContact O-N 2.99Å; F945-L1408 HydrophobicContact CB-CD2 3.73Å; F945-L1408 HydrophobicContact CD2-CB 3.69Å; F945-L1408 HydrophobicContact CD2-CD2 4.39Å; F945-L1408 HydrophobicContact CE2-CB 4.25Å; F945-L1408 HydrophobicContact CG-CB 4.48Å; I947-L1408 HydrophobicContact CG1-CD2 4.08Å; A970-L1408 HydrophobicContact CB-CD1 4.2Å; L972-L1408 HydrophobicContact CB-CD1 4.46Å; F1385-L1408 HydrophobicContact CE2-CD1 4.43Å; I1394-L1408 HydrophobicContact CD1-CD1 3.5Å; I1394-L1408 VanDerWaalsContact CD1-CD1 3.5Å; I1394-L1408 HydrophobicContact CD1-CD2 3.91Å; I1394-L1408 HydrophobicContact CD1-CG 4.32Å |
| 1409 | D | 92.4 | Very high | 90 | Very high | 11 Ų | 11 | 33.3 Ų | 33.3 | 6% | 0.059 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 120.8 | 166.9 | -87.8 | -48.5 | 0 | 0 | 0 | 109.5 | H927 A970 I971 R997 H1322 V1323 | H927-D1409 IonicContact CE1-OD1 2.73Å; H927-D1409 IonicContact CE1-OD2 2.9Å; H927-D1409 IonicContact CG-OD1 3.16Å; H927-D1409 VanDerWaalsContact ND1-CG 3.33Å; H927-D1409 IonicContact ND1-OD1 3.88Å; H927-D1409 PolarHBondContact ND1-OD1 3.47Å; H927-D1409 IonicContact ND1-OD2 3.25Å; A970-D1409 CarbonylContact C-O 3.59Å; A970-D1409 VanDerWaalsContact CA-O 3.29Å; A970-D1409 WeakPolarHBondContact CA-O 3.39Å; I971-D1409 PolarHBondContact N-O 2.99Å; I971-D1409 PolarHBondContact O-N 3.34Å; R997-D1409 IonicContact NH2-OD1 2.94Å; R997-D1409 IonicContact NH2-OD2 2.8Å; H1322-D1409 IonicContact CD2-OD1 2.74Å; H1322-D1409 IonicContact CD2-OD2 3.48Å; H1322-D1409 PolarHBondContact CD2-OD2 3.33Å; H1322-D1409 IonicContact NE2-OD2 3.68Å; V1323-D1409 WeakPolarHBondContact CG2-OD2 3.37Å |
| 1410 | A | 92.5 | Very high | 89.6 | Confident | 6 Ų | 6 | 31.3 Ų | 31.3 | 5% | 0.05 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 131 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y926 K969 | Y926-A1410 PolarHBondContact N-O 3.25Å; Y926-A1410 PolarHBondContact O-N 2.84Å; K969-A1410 CarbonylContact O-C 3.55Å; K969-A1410 WeakPolarHBondContact O-CA 3.32Å |
| 1411 | E | 91.3 | Very high | 89.5 | Confident | 45 Ų | 45 | 31 Ų | 31 | 21% | 0.21 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 145.8 | 174.5 | 63.1 | -178.7 | -178.4 | 0 | 0 | 110.8 | N924 Y925 Q968 K969 | N924-E1411 WeakPolarHBondContact O-CA 3.45Å; Y925-E1411 HydrophobicContact CD1-CB 4.09Å; Y925-E1411 HydrophobicContact CE1-CB 4.29Å; Y925-E1411 WeakPolarHBondContact CE1-OE2 3.34Å; Q968-E1411 WeakPolarHBondContact CA-O 3.49Å; K969-E1411 HydrophobicContact CB-CG 3.77Å; K969-E1411 HydrophobicContact CD-CG 4.12Å; K969-E1411 WeakPolarHBondContact CD-OE1 3.24Å; K969-E1411 PolarHBondContact N-O 2.88Å; K969-E1411 IonicContact NZ-OE1 3.03Å; K969-E1411 PolarHBondContact NZ-OE1 2.99Å; K969-E1411 PolarHBondContact O-N 2.9Å |
| 1412 | V | 92.2 | Very high | 89.3 | Confident | 5 Ų | 5 | 29.7 Ų | 29.7 | 3% | 0.03 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 139.1 | 178.9 | 64.1 | 0 | 0 | 0 | 0 | 109.6 | N924 Y926 V949 F963 Q968 | N924-V1412 HydrophobicContact CB-CG1 4.24Å; N924-V1412 PolarHBondContact N-O 3.34Å; N924-V1412 PolarHBondContact O-N 3.44Å; Y926-V1412 HydrophobicContact CD2-CG1 4.47Å; Y926-V1412 HydrophobicContact CE2-CG1 3.85Å; V949-V1412 HydrophobicContact CG2-CB 4.25Å; F963-V1412 HydrophobicContact CB-CG2 3.23Å; F963-V1412 HydrophobicContact CD1-CG2 4.47Å; F963-V1412 HydrophobicContact CD2-CG2 3.84Å; F963-V1412 HydrophobicContact CG-CG2 3.63Å; Q968-V1412 HydrophobicContact CB-CG2 4.5Å |
| 1413 | N | 91.6 | Very high | 89.3 | Confident | 10 Ų | 10 | 29.9 Ų | 29.9 | 5% | 0.053 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 140.9 | -180 | -62.9 | -5.1 | 0 | 0 | 0 | 111.8 | M919 N920 V922 T923 F963 V964 S967 | M919-N1413 PolarHBondContact O-ND2 3.29Å; N920-N1413 WeakPolarHBondContact O-CB 3.37Å; N920-N1413 PolarHBondContact O-ND2 3.49Å; V922-N1413 CarbonylContact O-C 3.46Å; V922-N1413 VanDerWaalsContact O-CA 3.3Å; V922-N1413 WeakPolarHBondContact O-CA 3.44Å; T923-N1413 WeakPolarHBondContact CA-OD1 3.25Å; T923-N1413 WeakPolarHBondContact CG2-OD1 3.29Å; F963-N1413 CarbonylContact C-O 3.59Å; F963-N1413 VanDerWaalsContact CA-O 3.24Å; F963-N1413 WeakPolarHBondContact CA-O 3.47Å; F963-N1413 WeakPolarHBondContact CB-O 3.19Å; V964-N1413 HydrophobicContact CB-CB 4.16Å; V964-N1413 HydrophobicContact CG2-CB 4.16Å; V964-N1413 PolarHBondContact N-O 3.27Å; S967-N1413 PolarHBondContact OG-N 3.45Å |
| 1414 | V | 90.5 | Very high | 89.3 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.024 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 144 | 178.8 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | G921 V922 N924 M1419 Q1420 | G921-V1414 WeakPolarHBondContact CA-O 2.98Å; V922-V1414 PolarHBondContact N-O 3.47Å; V922-V1414 WeakPolarHBondContact O-CG2 3.48Å; V922-V1414 PolarHBondContact O-N 3.08Å; N924-V1414 WeakPolarHBondContact ND2-CG1 3.21Å; V1414-M1419 HydrophobicContact CB-CB 3.89Å; V1414-M1419 HydrophobicContact CG1-CB 3.85Å; V1414-M1419 HydrophobicContact CG2-CB 4.47Å; V1414-Q1420 HydrophobicContact CG2-CG 3.91Å |
| 1415 | E | 86.2 | Confident | 89 | Confident | 50 Ų | 50 | 33 Ų | 33 | 23% | 0.234 | 15% | 0.153 | C | C | . | . | trans | -101.4 | -20.9 | -178.4 | -62.4 | 176.3 | 145.9 | 0 | 0 | 112.4 | H961 V964 Q1544 | H961-E1415 IonicContact ND1-OE2 2.79Å; V964-E1415 HydrophobicContact CG2-CG 3.49Å; V964-E1415 VanDerWaalsContact CG2-CG 3.49Å; E1415-Q1544 WeakPolarHBondContact O-CG 3.31Å | ||
| 1416 | Y | 86.7 | Confident | 88.6 | Confident | 79 Ų | 79 | 33.5 Ų | 33.5 | 31% | 0.31 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -112.7 | 140.7 | -170.6 | -56.2 | -75.5 | 0 | 0 | 0 | 111.6 | L960 E1418 M1419 Q1420 | L960-Y1416 HydrophobicContact CB-CE2 4.17Å; L960-Y1416 HydrophobicContact CD2-CD1 3.78Å; L960-Y1416 HydrophobicContact CD2-CD2 4.17Å; L960-Y1416 HydrophobicContact CD2-CE1 3.26Å; L960-Y1416 HydrophobicContact CD2-CE2 3.73Å; L960-Y1416 HydrophobicContact CD2-CG 4.2Å; Y1416-E1418 PolarHBondContact O-N 3.41Å; Y1416-M1419 PolarHBondContact O-N 2.98Å; Y1416-Q1420 PolarHBondContact O-N 3.03Å |
| 1417 | K | 84.2 | Confident | 88.1 | Confident | 114 Ų | 114 | 40.4 Ų | 40.4 | 50% | 0.496 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -54.3 | -37.2 | -179.6 | -173.3 | 176.8 | -179.6 | 175.3 | 0 | 113.1 | M1419 Q1420 M1422 L1562 | K1417-M1419 PolarHBondContact O-N 2.83Å; K1417-Q1420 PolarHBondContact O-N 3.34Å; K1417-M1422 HydrophobicContact CG-CE 3.94Å; K1417-M1422 WeakPolarHBondContact O-CE 3.38Å; K1417-L1562 HydrophobicContact CB-CD1 4.3Å |
| 1418 | E | 83.5 | Confident | 87.8 | Confident | 165 Ų | 165 | 44 Ų | 44 | 77% | 0.771 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -66.3 | -24.6 | 179.9 | -63.6 | 176.5 | -174.3 | 0 | 0 | 113.5 | Y1416 | Y1416-E1418 PolarHBondContact O-N 3.41Š|
| 1419 | M | 87.2 | Confident | 87.2 | Confident | 64 Ų | 64 | 45.2 Ų | 45.2 | 32% | 0.315 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -95 | -6.5 | -178.6 | -59.1 | -65.8 | 179.6 | 0 | 0 | 112.3 | N924 I955 V1414 Y1416 K1417 | N924-M1419 PolarHBondContact ND2-O 2.77Å; I955-M1419 HydrophobicContact CD1-CE 3.89Å; V1414-M1419 HydrophobicContact CB-CB 3.89Å; V1414-M1419 HydrophobicContact CG1-CB 3.85Å; V1414-M1419 HydrophobicContact CG2-CB 4.47Å; Y1416-M1419 PolarHBondContact O-N 2.98Å; K1417-M1419 PolarHBondContact O-N 2.83Å |
| 1420 | Q | 85.7 | Confident | 86.8 | Confident | 9 Ų | 9 | 52 Ų | 52 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -69.3 | 145 | 176.8 | -68.4 | -167.7 | -49.3 | 0 | 0 | 111.2 | V1414 Y1416 K1417 M1422 L1562 | V1414-Q1420 HydrophobicContact CG2-CG 3.91Å; Y1416-Q1420 PolarHBondContact O-N 3.03Å; K1417-Q1420 PolarHBondContact O-N 3.34Å; Q1420-M1422 HydrophobicContact CB-CE 4.25Å; Q1420-M1422 PolarHBondContact O-N 3.4Å; Q1420-L1562 HydrophobicContact CG-CD1 4.24Å |
| 1421 | K | 87.1 | Confident | 86.5 | Confident | 21 Ų | 21 | 56.7 Ų | 56.7 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | trans | -62.9 | 108.2 | 171.3 | -170 | -176.8 | 179.2 | 179 | 0 | 109.4 | N924 Y925 E1278 Y1558 N1560 | N924-K1421 PolarHBondContact OD1-N 2.83Å; Y925-K1421 PolarHBondContact O-NZ 3.48Å; E1278-K1421 VanDerWaalsContact CD-NZ 3.31Å; E1278-K1421 IonicContact OE1-NZ 2.69Å; E1278-K1421 PolarHBondContact OE1-NZ 3.48Å; E1278-K1421 IonicContact OE2-NZ 3.2Å; K1421-Y1558 PolarHBondContact O-OH 3Å; K1421-Y1558 VanDerWaalsContact O-OH 3.06Å; K1421-N1560 PolarHBondContact O-ND2 2.95Å | ||
| 1422 | M | 87.5 | Confident | 86.2 | Confident | 33 Ų | 33 | 57.4 Ų | 57.4 | 16% | 0.163 | 28% | 0.279 | C | S | . | . | trans | -96.2 | 144.9 | 179.6 | -68.3 | -71.9 | 172.2 | 0 | 0 | 110.9 | K1417 Q1420 V1432 | K1417-M1422 HydrophobicContact CG-CE 3.94Å; K1417-M1422 WeakPolarHBondContact O-CE 3.38Å; Q1420-M1422 HydrophobicContact CB-CE 4.25Å; Q1420-M1422 PolarHBondContact O-N 3.4Å; M1422-V1432 HydrophobicContact CB-CG1 4.17Å; M1422-V1432 HydrophobicContact CB-CG2 4.19Å | ||
| 1423 | P | 88.7 | Confident | 85.9 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.019 | 28% | 0.282 | C | S | . | . | trans | -65.5 | 140.5 | 175.3 | 32 | -39.5 | 0 | 0 | 0 | 110.4 | V1432 Y1433 R1434 Y1558 | P1423-V1432 WeakPolarHBondContact O-CA 3.48Å; P1423-Y1433 VanDerWaalsContact CB-O 3.23Å; P1423-Y1433 WeakPolarHBondContact CB-O 3.23Å; P1423-Y1433 WeakPolarHBondContact CG-O 3.36Å; P1423-Y1433 PolarHBondContact O-N 2.97Å; P1423-R1434 HydrophobicContact CG-CG 4.28Å; P1423-Y1558 HydrophobicContact CB-CD1 4.25Å; P1423-Y1558 HydrophobicContact CB-CE1 3.94Å; P1423-Y1558 WeakPolarHBondContact CG-O 3.17Å | ||
| 1424 | K | 87 | Confident | 85.6 | Confident | 54 Ų | 54 | 63.7 Ų | 63.7 | 24% | 0.235 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -111.5 | 150 | -177.2 | -66.2 | -55.1 | -159.5 | 169.3 | 0 | 111.7 | L1277 M1279 T1429 E1430 Q1431 | L1277-K1424 HydrophobicContact CD1-CG 4.15Å; M1279-K1424 HydrophobicContact SD-CB 4.46Å; K1424-T1429 VanDerWaalsContact CD-O 3.23Å; K1424-T1429 WeakPolarHBondContact CD-O 3.24Å; K1424-T1429 WeakPolarHBondContact CE-O 3.01Å; K1424-T1429 WeakPolarHBondContact CG-O 3.38Å; K1424-E1430 PolarHBondContact NZ-O 3.01Å; K1424-Q1431 WeakPolarHBondContact CA-O 3.47Å |
| 1425 | N | 85 | Confident | 85.5 | Confident | 17 Ų | 17 | 63.6 Ų | 63.6 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | trans | -71.8 | 127.6 | 172.7 | -175.4 | -15.2 | 0 | 0 | 0 | 108.9 | L1427 D1428 T1429 Q1431 I1466 | N1425-L1427 VanDerWaalsContact C-N 3.27Å; N1425-L1427 PolarHBondContact O-N 3.33Å; N1425-L1427 PolarHBondContact OD1-N 3Å; N1425-D1428 WeakPolarHBondContact CB-O 3.49Å; N1425-D1428 CarbonylContact O-C 3.6Å; N1425-D1428 PolarHBondContact O-N 3.38Å; N1425-T1429 WeakPolarHBondContact O-CA 3.32Å; N1425-T1429 PolarHBondContact O-N 3.22Å; N1425-Q1431 HydrophobicContact CB-CB 4.07Å; N1425-Q1431 PolarHBondContact N-O 3.24Å; N1425-Q1431 PolarHBondContact ND2-OE1 3.18Å; N1425-I1466 VanDerWaalsContact OD1-CD1 3.3Å; N1425-I1466 WeakPolarHBondContact OD1-CD1 3.48Å | ||
| 1426 | P | 82.7 | Confident | 85.8 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 8% | 0.078 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -68.9 | -23 | 179.3 | 30.3 | -39.4 | 0 | 0 | 0 | 113.1 | Y1256 P1259 P1280 I1466 | Y1256-P1426 HydrophobicContact CE2-CB 4.17Å; Y1256-P1426 HydrophobicContact CE2-CG 4.02Å; P1259-P1426 HydrophobicContact CG-CB 4.22Å; P1259-P1426 VanDerWaalsContact CG-O 3.27Å; P1259-P1426 WeakPolarHBondContact CG-O 3.21Å; P1280-P1426 HydrophobicContact CG-CB 4.35Å; P1280-P1426 HydrophobicContact CG-CG 3.77Å; P1426-I1466 HydrophobicContact CG-CD1 3.4Å |
| 1427 | L | 82.8 | Confident | 86.1 | Confident | 144 Ų | 144 | 61.9 Ų | 61.9 | 75% | 0.754 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -78.5 | -35.2 | 174.1 | -66.7 | 174.4 | 0 | 0 | 0 | 112.2 | N1425 I1466 | N1425-L1427 VanDerWaalsContact C-N 3.27Å; N1425-L1427 PolarHBondContact O-N 3.33Å; N1425-L1427 PolarHBondContact OD1-N 3Å; L1427-I1466 HydrophobicContact CB-CD1 4.41Å; L1427-I1466 HydrophobicContact CD1-CD1 3.66Å; L1427-I1466 HydrophobicContact CD1-CG1 3.88Å; L1427-I1466 HydrophobicContact CG-CD1 3.61Å; L1427-I1466 HydrophobicContact CG-CG1 4.33Å |
| 1428 | D | 84.9 | Confident | 86.6 | Confident | 76 Ų | 76 | 57 Ų | 57 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | trans | -137.6 | 95.7 | 176.9 | 179.8 | 5.2 | 0 | 0 | 0 | 110.1 | N1425 E1430 Q1431 | N1425-D1428 WeakPolarHBondContact CB-O 3.49Å; N1425-D1428 CarbonylContact O-C 3.6Å; N1425-D1428 PolarHBondContact O-N 3.38Å; D1428-E1430 PolarHBondContact O-N 3.2Å; D1428-E1430 WeakPolarHBondContact OD1-CB 3.24Å; D1428-E1430 PolarHBondContact OD1-N 2.8Å; D1428-E1430 VanDerWaalsContact OD1-N 3.11Å; D1428-Q1431 HydrophobicContact CB-CB 4.45Å; D1428-Q1431 PolarHBondContact O-N 2.89Å | ||
| 1429 | T | 82 | Confident | 87 | Confident | 28 Ų | 28 | 53.9 Ų | 53.9 | 17% | 0.172 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -9.6 | -175.8 | 62.1 | 0 | 0 | 0 | 0 | 114.5 | P1259 K1262 M1279 K1424 N1425 | P1259-T1429 HydrophobicContact CB-CG2 4.27Å; P1259-T1429 HydrophobicContact CG-CG2 4.28Å; K1262-T1429 WeakPolarHBondContact CE-OG1 3.35Å; K1262-T1429 PolarHBondContact NZ-OG1 2.63Å; M1279-T1429 HydrophobicContact CE-CG2 3.84Å; K1424-T1429 VanDerWaalsContact CD-O 3.23Å; K1424-T1429 WeakPolarHBondContact CD-O 3.24Å; K1424-T1429 WeakPolarHBondContact CE-O 3.01Å; K1424-T1429 WeakPolarHBondContact CG-O 3.38Å; N1425-T1429 WeakPolarHBondContact O-CA 3.32Å; N1425-T1429 PolarHBondContact O-N 3.22Å |
| 1430 | E | 83.9 | Confident | 87.4 | Confident | 152 Ų | 152 | 51.4 Ų | 51.4 | 71% | 0.71 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -36.9 | 175.1 | -58.7 | -166.4 | 167.5 | 0 | 0 | 111.4 | K1424 D1428 | K1424-E1430 PolarHBondContact NZ-O 3.01Å; D1428-E1430 PolarHBondContact O-N 3.2Å; D1428-E1430 WeakPolarHBondContact OD1-CB 3.24Å; D1428-E1430 PolarHBondContact OD1-N 2.8Å; D1428-E1430 VanDerWaalsContact OD1-N 3.11Å |
| 1431 | Q | 86.6 | Confident | 87.8 | Confident | 105 Ų | 105 | 54.1 Ų | 54.1 | 49% | 0.491 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -72 | 135.2 | -179.2 | -166.8 | -176.9 | 15.4 | 0 | 0 | 112.1 | K1424 N1425 D1428 | K1424-Q1431 WeakPolarHBondContact CA-O 3.47Å; N1425-Q1431 HydrophobicContact CB-CB 4.07Å; N1425-Q1431 PolarHBondContact N-O 3.24Å; N1425-Q1431 PolarHBondContact ND2-OE1 3.18Å; D1428-Q1431 HydrophobicContact CB-CB 4.45Å; D1428-Q1431 PolarHBondContact O-N 2.89Å |
| 1432 | V | 84.7 | Confident | 88.2 | Confident | 61 Ų | 61 | 54.7 Ų | 54.7 | 37% | 0.37 | 27% | 0.272 | S | S | . | . | B | Isolated β-bridge | trans | -81.2 | 129.6 | 173.1 | 175.9 | 0 | 0 | 0 | 0 | 109.5 | M1422 P1423 R1434 | M1422-V1432 HydrophobicContact CB-CG1 4.17Å; M1422-V1432 HydrophobicContact CB-CG2 4.19Å; P1423-V1432 WeakPolarHBondContact O-CA 3.48Å; V1432-R1434 HydrophobicContact CG1-CG 4.11Å |
| 1433 | Y | 85.1 | Confident | 88.4 | Confident | 26 Ų | 26 | 54.7 Ų | 54.7 | 10% | 0.102 | 28% | 0.281 | C | S | . | . | trans | -126.7 | 103.8 | -176.9 | -174 | -95.6 | 0 | 0 | 0 | 110.6 | P1423 T1464 E1467 | P1423-Y1433 VanDerWaalsContact CB-O 3.23Å; P1423-Y1433 WeakPolarHBondContact CB-O 3.23Å; P1423-Y1433 WeakPolarHBondContact CG-O 3.36Å; P1423-Y1433 PolarHBondContact O-N 2.97Å; Y1433-T1464 PolarHBondContact OH-O 3.22Å; Y1433-E1467 HydrophobicContact CE1-CG 4.26Å; Y1433-E1467 WeakPolarHBondContact CE1-OE2 3.23Å; Y1433-E1467 PolarHBondContact OH-OE2 2.93Å | ||
| 1434 | R | 86.3 | Confident | 88.5 | Confident | 121 Ų | 121 | 56.7 Ų | 56.7 | 46% | 0.457 | 29% | 0.289 | S | S | . | . | trans | -98.5 | 115.1 | -175.5 | -60.4 | 177.3 | -175.3 | 155.3 | 6.2 | 110.2 | P1423 V1432 | P1423-R1434 HydrophobicContact CG-CG 4.28Å; V1432-R1434 HydrophobicContact CG1-CG 4.11Å | ||
| 1435 | S | 88.3 | Confident | 88.4 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.014 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -79.4 | -24.1 | 176.2 | -54.8 | 0 | 0 | 0 | 0 | 112.9 | V1461 G1462 E1467 | S1435-V1461 PolarHBondContact O-N 3.28Å; S1435-G1462 PolarHBondContact O-N 2.9Å; S1435-E1467 PolarHBondContact OG-OE1 3.37Å; S1435-E1467 PolarHBondContact OG-OE2 3.3Å |
| 1436 | F | 91.6 | Very high | 88 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 150.3 | 176.7 | -67.9 | -87.9 | 0 | 0 | 0 | 111.7 | W1460 A1475 I1521 A1549 E1551 R1557 N1559 | F1436-W1460 HydrophobicContact CD1-CE3 4.04Å; F1436-W1460 HydrophobicContact CD2-CE3 4.36Å; F1436-W1460 HydrophobicContact CD2-CZ3 4.17Å; F1436-W1460 AromaticContact CE1-CE3 3.64Å; F1436-W1460 HydrophobicContact CE1-CE3 3.64Å; F1436-W1460 HydrophobicContact CE1-CZ3 4.09Å; F1436-W1460 AromaticContact CE2-CE3 3.97Å; F1436-W1460 HydrophobicContact CE2-CE3 3.97Å; F1436-W1460 AromaticContact CE2-CZ3 3.58Å; F1436-W1460 HydrophobicContact CE2-CZ3 3.58Å; F1436-W1460 HydrophobicContact CG-CE3 4.39Å; F1436-W1460 AromaticContact CZ-CE3 3.6Å; F1436-W1460 HydrophobicContact CZ-CE3 3.6Å; F1436-W1460 AromaticContact CZ-CZ3 3.54Å; F1436-W1460 HydrophobicContact CZ-CZ3 3.54Å; F1436-A1475 HydrophobicContact CE1-CB 3.91Å; F1436-A1475 HydrophobicContact CZ-CB 3.86Å; F1436-I1521 HydrophobicContact CD1-CG2 4.49Å; F1436-I1521 HydrophobicContact CE1-CB 4.09Å; F1436-I1521 HydrophobicContact CE1-CG1 4.31Å; F1436-I1521 HydrophobicContact CE1-CG2 4.33Å; F1436-A1549 HydrophobicContact CB-CB 3.74Å; F1436-A1549 HydrophobicContact CD1-CB 4.19Å; F1436-A1549 HydrophobicContact CD2-CB 4.49Å; F1436-A1549 HydrophobicContact CG-CB 3.9Å; F1436-E1551 HydrophobicContact CE2-CB 4.02Å; F1436-E1551 VanDerWaalsContact CE2-N 3.33Å; F1436-E1551 HydrophobicContact CZ-CB 4.17Å; F1436-R1557 WeakPolarHBondContact CE2-O 3.06Å; F1436-N1559 HydrophobicContact CB-CB 4.15Å; F1436-N1559 WeakPolarHBondContact O-CB 3.36Å; F1436-N1559 VanDerWaalsContact O-CG 3.31Å; F1436-N1559 PolarHBondContact O-ND2 3.01Å |
| 1437 | E | 92.8 | Very high | 87.5 | Confident | 92 Ų | 92 | 64.6 Ų | 64.6 | 43% | 0.43 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.8 | 158.4 | 179.1 | 171.9 | -151.8 | 0 | 0 | 107.5 | G1458 R1459 V1461 | E1437-G1458 CarbonylContact O-C 3.58Å; E1437-G1458 WeakPolarHBondContact O-CA 3.43Å; E1437-R1459 HydrophobicContact CB-CG 4.07Å; E1437-R1459 PolarHBondContact N-O 2.95Å; E1437-R1459 PolarHBondContact O-N 2.69Å; E1437-R1459 IonicContact OE2-CZ 3.29Å; E1437-R1459 IonicContact OE2-NE 3Å; E1437-R1459 PolarHBondContact OE2-NE 3.45Å; E1437-R1459 IonicContact OE2-NH2 2.96Å; E1437-R1459 PolarHBondContact OE2-NH2 2.93Å; E1437-V1461 HydrophobicContact CB-CG2 3.65Å |
| 1438 | I | 94.2 | Very high | 87.3 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.051 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 138.1 | 175.9 | -171.6 | 172.2 | 0 | 0 | 0 | 109.4 | C1457 F1477 C1547 A1549 | I1438-C1457 CarbonylContact C-O 3.58Å; I1438-C1457 WeakPolarHBondContact CA-O 3.34Å; I1438-F1477 HydrophobicContact CD1-CB 4.2Å; I1438-F1477 HydrophobicContact CD1-CD1 4Å; I1438-F1477 HydrophobicContact CD1-CD2 4.26Å; I1438-F1477 HydrophobicContact CD1-CE1 4.48Å; I1438-F1477 HydrophobicContact CD1-CG 3.89Å; I1438-C1547 VanDerWaalsContact CD1-SG 3.55Å; I1438-A1549 HydrophobicContact CB-CB 3.88Å; I1438-A1549 HydrophobicContact CD1-CB 3.92Å; I1438-A1549 HydrophobicContact CG1-CB 4.42Å; I1438-A1549 HydrophobicContact CG2-CB 4.01Å |
| 1439 | E | 93.8 | Very high | 87.4 | Confident | 100 Ų | 100 | 58 Ų | 58 | 47% | 0.467 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 118.8 | 179.4 | -176 | -177.6 | -161.9 | 0 | 0 | 108.4 | T1441 A1456 C1457 K1525 | E1439-T1441 HydrophobicContact CG-CG2 4.14Å; E1439-A1456 WeakPolarHBondContact O-CA 3.41Å; E1439-C1457 PolarHBondContact N-O 2.89Å; E1439-C1457 PolarHBondContact O-N 3.33Å; E1439-K1525 IonicContact OE2-NZ 2.71Å; E1439-K1525 PolarHBondContact OE2-NZ 2.75Å; E1439-K1525 VanDerWaalsContact OE2-NZ 3.08Å |
| 1440 | C | 95 | Very high | 87.4 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 8% | 0.081 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 118.2 | 174.1 | -72.9 | 0 | 0 | 0 | 0 | 109.9 | M1454 C1547 Y1563 | C1440-M1454 HydrophobicContact CB-SD 3.97Å; C1440-C1547 HydrophobicContact CB-CB 3.63Å; C1440-C1547 WeakPolarHBondContact CB-SG 3.16Å; C1440-C1547 WeakPolarHBondContact SG-CB 3.34Å; C1440-C1547 CovalentContact SG-SG 2.03Å; C1440-C1547 PolarHBondContact SG-SG 3.39Å; C1440-Y1563 HydrophobicContact CB-CD1 3.97Å; C1440-Y1563 HydrophobicContact CB-CG 4.22Å; C1440-Y1563 VanDerWaalsContact O-CB 3.31Å; C1440-Y1563 WeakPolarHBondContact O-CB 3.37Å |
| 1441 | T | 94.6 | Very high | 87.6 | Confident | 66 Ų | 66 | 51.3 Ų | 51.3 | 41% | 0.405 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 111.1 | 178.1 | 57.7 | 0 | 0 | 0 | 0 | 110.1 | E1439 T1455 | E1439-T1441 HydrophobicContact CG-CG2 4.14Å; T1441-T1455 PolarHBondContact N-O 3.04Å; T1441-T1455 PolarHBondContact O-N 3.18Å; T1441-T1455 PolarHBondContact OG1-O 3.17Å |
| 1442 | P | 93.7 | Very high | 87.8 | Confident | 33 Ų | 33 | 46.3 Ų | 46.3 | 21% | 0.214 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 124.3 | 173 | 32.5 | -34 | 0 | 0 | 0 | 110.7 | F1444 M1452 M1454 Y1563 V1565 | P1442-F1444 HydrophobicContact CB-CE2 4.02Å; P1442-F1444 HydrophobicContact CB-CZ 3.98Å; P1442-F1444 HydrophobicContact CG-CE2 4.27Å; P1442-F1444 HydrophobicContact CG-CZ 4.49Å; P1442-M1452 HydrophobicContact CB-CG 4.17Å; P1442-M1452 HydrophobicContact CB-SD 4.09Å; P1442-M1454 HydrophobicContact CB-CE 3.95Å; P1442-Y1563 HydrophobicContact CB-CD2 4.45Å; P1442-Y1563 HydrophobicContact CG-CD2 3.88Å; P1442-Y1563 HydrophobicContact CG-CE2 4.42Å; P1442-V1565 HydrophobicContact CB-CG1 4.48Å; P1442-V1565 HydrophobicContact CG-CG1 4.15Å |
| 1443 | G | 93.2 | Very high | 88.2 | Confident | 33 Ų | 33 | 45.2 Ų | 45.2 | 34% | 0.34 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 143.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | M1452 I1453 | G1443-M1452 CarbonylContact O-C 3.5Å; G1443-M1452 VanDerWaalsContact O-CA 3.31Å; G1443-M1452 WeakPolarHBondContact O-CA 3.19Å; G1443-I1453 PolarHBondContact N-O 2.9Å; G1443-I1453 PolarHBondContact O-N 3.15Å |
| 1444 | F | 90.2 | Very high | 88.7 | Confident | 46 Ų | 46 | 44 Ų | 44 | 20% | 0.202 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 137 | 178.2 | -63 | -76.6 | 0 | 0 | 0 | 111.6 | P1442 N1449 I1451 M1452 V1565 S1567 L1568 | P1442-F1444 HydrophobicContact CB-CE2 4.02Å; P1442-F1444 HydrophobicContact CB-CZ 3.98Å; P1442-F1444 HydrophobicContact CG-CE2 4.27Å; P1442-F1444 HydrophobicContact CG-CZ 4.49Å; F1444-N1449 HydrophobicContact CB-CB 3.76Å; F1444-N1449 WeakPolarHBondContact CB-OD1 3.25Å; F1444-N1449 HydrophobicContact CD1-CB 3.84Å; F1444-N1449 HydrophobicContact CG-CB 3.89Å; F1444-I1451 CarbonylContact C-O 3.5Å; F1444-I1451 WeakPolarHBondContact CA-O 3.23Å; F1444-M1452 HydrophobicContact CD1-CB 3.98Å; F1444-M1452 HydrophobicContact CD1-CG 4.16Å; F1444-M1452 HydrophobicContact CE1-CB 3.79Å; F1444-M1452 HydrophobicContact CE1-CG 3.67Å; F1444-M1452 HydrophobicContact CE1-SD 4Å; F1444-M1452 HydrophobicContact CZ-CG 4.27Å; F1444-M1452 HydrophobicContact CZ-SD 4.26Å; F1444-V1565 HydrophobicContact CE2-CG1 4.46Å; F1444-V1565 HydrophobicContact CZ-CB 4.17Å; F1444-V1565 HydrophobicContact CZ-CG1 3.83Å; F1444-S1567 WeakPolarHBondContact CD2-OG 3.27Å; F1444-S1567 VanDerWaalsContact CE2-OG 3.22Å; F1444-S1567 WeakPolarHBondContact CE2-OG 3.12Å; F1444-L1568 HydrophobicContact CD1-CD2 4.37Å; F1444-L1568 HydrophobicContact CE1-CD1 3.71Å; F1444-L1568 HydrophobicContact CE1-CD2 4Å; F1444-L1568 HydrophobicContact CE1-CG 3.84Å; F1444-L1568 HydrophobicContact CZ-CD1 3.86Å; F1444-L1568 HydrophobicContact CZ-CD2 4.49Å; F1444-L1568 HydrophobicContact CZ-CG 3.89Å |
| 1445 | L | 85.4 | Confident | 89.1 | Confident | 98 Ų | 98 | 40 Ų | 40 | 51% | 0.513 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 168.2 | 176.9 | -64.9 | 179.6 | 0 | 0 | 0 | 111 | S1450 I1451 I1453 | L1445-S1450 PolarHBondContact O-N 2.87Å; L1445-I1451 HydrophobicContact CB-CB 4.36Å; L1445-I1451 PolarHBondContact N-O 3.3Å; L1445-I1451 PolarHBondContact O-N 3.08Å; L1445-I1453 HydrophobicContact CD1-CD1 3.42Å; L1445-I1453 VanDerWaalsContact CD1-CD1 3.42Å; L1445-I1453 HydrophobicContact CD1-CG1 4.24Å; L1445-I1453 HydrophobicContact CG-CD1 4.16Å |
| 1446 | S | 76.3 | Confident | 89.5 | Confident | 40 Ų | 40 | 40 Ų | 40 | 28% | 0.28 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 70.2 | -173 | 176.4 | -157.3 | 0 | 0 | 0 | 0 | 114.5 | N1448 S1450 | S1446-N1448 PolarHBondContact O-N 2.71Å; S1446-S1450 WeakPolarHBondContact CB-OG 3.38Å |
| 1447 | R | 73.1 | Confident | 89.7 | Confident | 110 Ų | 110 | 40.6 Ų | 40.6 | 42% | 0.415 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -66.7 | 124.7 | -175.1 | -166.5 | -176.8 | -165.8 | 176.2 | 10.9 | 110.1 | N1449 S1450 D1587 Y1588 | R1447-N1449 PolarHBondContact O-N 3.4Å; R1447-S1450 PolarHBondContact O-N 3.37Å; R1447-D1587 PolarHBondContact NE-O 2.74Å; R1447-D1587 PolarHBondContact NH2-O 3.23Å; R1447-Y1588 PolarHBondContact NH1-O 3.17Å |
| 1448 | N | 78.2 | Confident | 89.7 | Confident | 41 Ų | 41 | 36.3 Ų | 36.3 | 22% | 0.219 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | 50.9 | 42.9 | 176.5 | -59 | -19.9 | 0 | 0 | 0 | 113.3 | S1446 S1450 R1534 N1575 | S1446-N1448 PolarHBondContact O-N 2.71Å; N1448-S1450 PolarHBondContact O-N 2.89Å; N1448-R1534 PolarHBondContact O-NH1 3.08Å; N1448-R1534 PolarHBondContact O-NH2 2.61Å; N1448-N1575 PolarHBondContact ND2-O 3.49Å |
| 1449 | N | 85.9 | Confident | 89.7 | Confident | 40 Ų | 40 | 39.7 Ų | 39.7 | 21% | 0.214 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | 57.6 | 41.6 | 174.9 | -55.4 | -33.2 | 0 | 0 | 0 | 113.8 | F1444 R1447 I1451 S1567 L1568 | F1444-N1449 HydrophobicContact CB-CB 3.76Å; F1444-N1449 WeakPolarHBondContact CB-OD1 3.25Å; F1444-N1449 HydrophobicContact CD1-CB 3.84Å; F1444-N1449 HydrophobicContact CG-CB 3.89Å; R1447-N1449 PolarHBondContact O-N 3.4Å; N1449-I1451 VanDerWaalsContact C-N 3.31Å; N1449-I1451 PolarHBondContact O-N 3.09Å; N1449-S1567 VanDerWaalsContact ND2-CB 3.3Å; N1449-S1567 WeakPolarHBondContact ND2-CB 2.92Å; N1449-S1567 PolarHBondContact ND2-O 3.05Å; N1449-S1567 PolarHBondContact ND2-OG 3.18Å; N1449-L1568 HydrophobicContact CB-CD2 3.75Å |
| 1450 | S | 82.9 | Confident | 89.6 | Confident | 19 Ų | 19 | 35 Ų | 35 | 13% | 0.133 | 19% | 0.19 | C | C | . | . | trans | -73.6 | -19.1 | -177 | 69.4 | 0 | 0 | 0 | 0 | 114.3 | L1445 S1446 R1447 N1448 R1534 | L1445-S1450 PolarHBondContact O-N 2.87Å; S1446-S1450 WeakPolarHBondContact CB-OG 3.38Å; R1447-S1450 PolarHBondContact O-N 3.37Å; N1448-S1450 PolarHBondContact O-N 2.89Å; S1450-R1534 WeakPolarHBondContact O-CB 3.41Å; S1450-R1534 PolarHBondContact O-N 2.93Å | ||
| 1451 | I | 87.8 | Confident | 89.3 | Confident | 21 Ų | 21 | 36.6 Ų | 36.6 | 11% | 0.108 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.8 | 177.7 | -56.1 | 174.4 | 0 | 0 | 0 | 107.7 | E338 K339 F1444 L1445 N1449 | E338-I1451 WeakPolarHBondContact O-CD1 2.85Å; K339-I1451 HydrophobicContact CB-CD1 4.38Å; F1444-I1451 CarbonylContact C-O 3.5Å; F1444-I1451 WeakPolarHBondContact CA-O 3.23Å; L1445-I1451 HydrophobicContact CB-CB 4.36Å; L1445-I1451 PolarHBondContact N-O 3.3Å; L1445-I1451 PolarHBondContact O-N 3.08Å; N1449-I1451 VanDerWaalsContact C-N 3.31Å; N1449-I1451 PolarHBondContact O-N 3.09Å |
| 1452 | M | 91.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118.7 | 175 | -177.7 | 179.5 | 70.2 | 0 | 0 | 109.3 | P1442 G1443 F1444 M1454 L1481 P1482 F1485 T1531 A1532 | P1442-M1452 HydrophobicContact CB-CG 4.17Å; P1442-M1452 HydrophobicContact CB-SD 4.09Å; G1443-M1452 CarbonylContact O-C 3.5Å; G1443-M1452 VanDerWaalsContact O-CA 3.31Å; G1443-M1452 WeakPolarHBondContact O-CA 3.19Å; F1444-M1452 HydrophobicContact CD1-CB 3.98Å; F1444-M1452 HydrophobicContact CD1-CG 4.16Å; F1444-M1452 HydrophobicContact CE1-CB 3.79Å; F1444-M1452 HydrophobicContact CE1-CG 3.67Å; F1444-M1452 HydrophobicContact CE1-SD 4Å; F1444-M1452 HydrophobicContact CZ-CG 4.27Å; F1444-M1452 HydrophobicContact CZ-SD 4.26Å; M1452-M1454 HydrophobicContact CE-CE 4.09Å; M1452-M1454 HydrophobicContact SD-CE 4Å; M1452-L1481 HydrophobicContact CE-CD2 3.96Å; M1452-P1482 HydrophobicContact CE-CG 4.27Å; M1452-P1482 HydrophobicContact SD-CG 4.02Å; M1452-F1485 HydrophobicContact CB-CD1 3.83Å; M1452-F1485 HydrophobicContact CB-CE1 3.62Å; M1452-T1531 CarbonylContact O-C 3.23Å; M1452-T1531 WeakPolarHBondContact O-CA 3.24Å; M1452-A1532 HydrophobicContact CB-CB 4.4Å; M1452-A1532 HydrophobicContact CE-CB 3.77Å; M1452-A1532 PolarHBondContact N-O 2.86Å; M1452-A1532 PolarHBondContact O-N 2.76Å |
| 1453 | I | 93.6 | Very high | 87.4 | Confident | 38 Ų | 38 | 35.1 Ų | 35.1 | 20% | 0.195 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 105.8 | 169.1 | -58.1 | -172.8 | 0 | 0 | 0 | 107.1 | G1443 L1445 Q1529 T1531 | G1443-I1453 PolarHBondContact N-O 2.9Å; G1443-I1453 PolarHBondContact O-N 3.15Å; L1445-I1453 HydrophobicContact CD1-CD1 3.42Å; L1445-I1453 VanDerWaalsContact CD1-CD1 3.42Å; L1445-I1453 HydrophobicContact CD1-CG1 4.24Å; L1445-I1453 HydrophobicContact CG-CD1 4.16Å; I1453-Q1529 HydrophobicContact CG2-CG 3.83Å; I1453-T1531 HydrophobicContact CG1-CG2 4.24Å |
| 1454 | M | 94.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 124.7 | 176.9 | -177.4 | 58 | 71.1 | 0 | 0 | 109.4 | C1440 P1442 M1452 I1479 Q1529 F1530 Y1563 | C1440-M1454 HydrophobicContact CB-SD 3.97Å; P1442-M1454 HydrophobicContact CB-CE 3.95Å; M1452-M1454 HydrophobicContact CE-CE 4.09Å; M1452-M1454 HydrophobicContact SD-CE 4Å; M1454-I1479 HydrophobicContact CE-CG2 4.26Å; M1454-I1479 HydrophobicContact CG-CG2 4.1Å; M1454-I1479 HydrophobicContact SD-CG2 4.42Å; M1454-Q1529 WeakPolarHBondContact O-CA 3.24Å; M1454-F1530 HydrophobicContact CB-CD1 4.1Å; M1454-F1530 HydrophobicContact CB-CD2 4.35Å; M1454-F1530 HydrophobicContact CB-CE1 3.63Å; M1454-F1530 HydrophobicContact CB-CE2 3.88Å; M1454-F1530 HydrophobicContact CB-CG 4.46Å; M1454-F1530 HydrophobicContact CB-CZ 3.51Å; M1454-F1530 HydrophobicContact CG-CD1 4.35Å; M1454-F1530 HydrophobicContact CG-CE1 3.54Å; M1454-F1530 HydrophobicContact CG-CE2 4.46Å; M1454-F1530 HydrophobicContact CG-CZ 3.61Å; M1454-F1530 PolarHBondContact N-O 2.87Å; M1454-F1530 PolarHBondContact O-N 2.96Å; M1454-Y1563 HydrophobicContact CE-CD1 4.43Å; M1454-Y1563 HydrophobicContact CE-CD2 4.08Å; M1454-Y1563 HydrophobicContact CE-CE1 4.03Å; M1454-Y1563 HydrophobicContact CE-CE2 3.66Å; M1454-Y1563 HydrophobicContact CE-CG 4.44Å |
| 1455 | T | 95.9 | Very high | 85 | Confident | 39 Ų | 39 | 39.4 Ų | 39.4 | 24% | 0.239 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 117.4 | 168.1 | -52.2 | 0 | 0 | 0 | 0 | 107.7 | T1441 I1528 | T1441-T1455 PolarHBondContact N-O 3.04Å; T1441-T1455 PolarHBondContact O-N 3.18Å; T1441-T1455 PolarHBondContact OG1-O 3.17Å; T1455-I1528 WeakPolarHBondContact CA-O 3.43Å |
| 1456 | A | 95.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 124.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | E1439 I1479 C1527 I1528 | E1439-A1456 WeakPolarHBondContact O-CA 3.41Å; A1456-I1479 HydrophobicContact CB-CD1 3.39Å; A1456-I1479 HydrophobicContact CB-CG1 4.3Å; A1456-C1527 CarbonylContact O-C 3.6Å; A1456-C1527 WeakPolarHBondContact O-CA 3.5Å; A1456-I1528 HydrophobicContact CB-CD1 4.09Å; A1456-I1528 HydrophobicContact CB-CG1 3.86Å; A1456-I1528 PolarHBondContact N-O 2.9Å; A1456-I1528 WeakPolarHBondContact O-CG1 3.35Å; A1456-I1528 PolarHBondContact O-N 2.8Å |
| 1457 | C | 95.5 | Very high | 83.9 | Confident | 14 Ų | 14 | 34.8 Ų | 34.8 | 10% | 0.095 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135.6 | 179.7 | -63.8 | 0 | 0 | 0 | 0 | 110 | I1438 E1439 K1525 T1526 C1527 | I1438-C1457 CarbonylContact C-O 3.58Å; I1438-C1457 WeakPolarHBondContact CA-O 3.34Å; E1439-C1457 PolarHBondContact N-O 2.89Å; E1439-C1457 PolarHBondContact O-N 3.33Å; C1457-K1525 HydrophobicContact CB-CD 4.18Å; C1457-K1525 HydrophobicContact CB-CG 3.97Å; C1457-T1526 CarbonylContact C-O 3.57Å; C1457-T1526 WeakPolarHBondContact CA-O 3Å; C1457-C1527 HydrophobicContact CB-CB 4.13Å; C1457-C1527 WeakPolarHBondContact CB-SG 3.29Å; C1457-C1527 WeakPolarHBondContact SG-CB 3.34Å; C1457-C1527 CovalentContact SG-SG 2.04Å; C1457-C1527 PolarHBondContact SG-SG 2.86Å |
| 1458 | G | 93.8 | Very high | 83.6 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 159.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1437 T1526 | E1437-G1458 CarbonylContact O-C 3.58Å; E1437-G1458 WeakPolarHBondContact O-CA 3.43Å; G1458-T1526 PolarHBondContact N-O 2.89Å; G1458-T1526 PolarHBondContact O-N 3.21Å; G1458-T1526 PolarHBondContact O-OG1 2.85Å |
| 1459 | R | 93.6 | Very high | 83.5 | Confident | 82 Ų | 82 | 33.4 Ų | 33.4 | 31% | 0.309 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 158.9 | 177.4 | 66.1 | -178.7 | -172.6 | 92.8 | 4.9 | 111.3 | E1437 V1461 P1523 D1524 | E1437-R1459 HydrophobicContact CB-CG 4.07Å; E1437-R1459 PolarHBondContact N-O 2.95Å; E1437-R1459 PolarHBondContact O-N 2.69Å; E1437-R1459 IonicContact OE2-CZ 3.29Å; E1437-R1459 IonicContact OE2-NE 3Å; E1437-R1459 PolarHBondContact OE2-NE 3.45Å; E1437-R1459 IonicContact OE2-NH2 2.96Å; E1437-R1459 PolarHBondContact OE2-NH2 2.93Å; R1459-V1461 HydrophobicContact CG-CG2 4.23Å; R1459-P1523 WeakPolarHBondContact CB-O 3.47Å; R1459-P1523 WeakPolarHBondContact CD-O 3.35Å; R1459-D1524 WeakPolarHBondContact CB-O 3.38Å |
| 1460 | W | 91.6 | Very high | 83.2 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 130.8 | 174.7 | -178.4 | -107.8 | 0 | 0 | 0 | 110.6 | F1436 G1462 L1469 P1470 S1472 I1521 T1522 P1523 | F1436-W1460 HydrophobicContact CD1-CE3 4.04Å; F1436-W1460 HydrophobicContact CD2-CE3 4.36Å; F1436-W1460 HydrophobicContact CD2-CZ3 4.17Å; F1436-W1460 AromaticContact CE1-CE3 3.64Å; F1436-W1460 HydrophobicContact CE1-CE3 3.64Å; F1436-W1460 HydrophobicContact CE1-CZ3 4.09Å; F1436-W1460 AromaticContact CE2-CE3 3.97Å; F1436-W1460 HydrophobicContact CE2-CE3 3.97Å; F1436-W1460 AromaticContact CE2-CZ3 3.58Å; F1436-W1460 HydrophobicContact CE2-CZ3 3.58Å; F1436-W1460 HydrophobicContact CG-CE3 4.39Å; F1436-W1460 AromaticContact CZ-CE3 3.6Å; F1436-W1460 HydrophobicContact CZ-CE3 3.6Å; F1436-W1460 AromaticContact CZ-CZ3 3.54Å; F1436-W1460 HydrophobicContact CZ-CZ3 3.54Å; W1460-G1462 WeakPolarHBondContact CZ2-O 3.44Å; W1460-G1462 PolarHBondContact NE1-O 3.39Å; W1460-L1469 PolarHBondContact NE1-O 3.46Å; W1460-P1470 VanDerWaalsContact CD1-O 3.25Å; W1460-S1472 VanDerWaalsContact CE3-CB 3.46Å; W1460-I1521 HydrophobicContact CB-CG2 4.26Å; W1460-I1521 WeakPolarHBondContact CB-O 3.48Å; W1460-T1522 WeakPolarHBondContact CB-O 3.37Å; W1460-T1522 PolarHBondContact N-O 2.86Å; W1460-P1523 WeakPolarHBondContact O-CA 3.36Å |
| 1461 | V | 89.6 | Confident | 83.3 | Confident | 46 Ų | 46 | 37.5 Ų | 37.5 | 28% | 0.279 | 23% | 0.23 | S | C | . | . | trans | -127 | -8.3 | 179.5 | -152.5 | 0 | 0 | 0 | 0 | 111.7 | S1435 E1437 R1459 T1463 | S1435-V1461 PolarHBondContact O-N 3.28Å; E1437-V1461 HydrophobicContact CB-CG2 3.65Å; R1459-V1461 HydrophobicContact CG-CG2 4.23Å; V1461-T1463 PolarHBondContact O-N 3.09Å | ||
| 1462 | G | 75.8 | Confident | 83.3 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | trans | -72.9 | 45.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1435 W1460 E1467 | S1435-G1462 PolarHBondContact O-N 2.9Å; W1460-G1462 WeakPolarHBondContact CZ2-O 3.44Å; W1460-G1462 PolarHBondContact NE1-O 3.39Å; G1462-E1467 WeakPolarHBondContact CA-OE2 3.35Å; G1462-E1467 WeakPolarHBondContact O-CB 3.35Å | ||
| 1463 | T | 73 | Confident | 82.9 | Confident | 67 Ų | 67 | 36.5 Ų | 36.5 | 41% | 0.411 | 23% | 0.225 | S | C | . | . | trans | -97.7 | 9.1 | 179.2 | 60.9 | 0 | 0 | 0 | 0 | 113.1 | V1461 E1467 | V1461-T1463 PolarHBondContact O-N 3.09Å; T1463-E1467 CarbonylContact C-O 3.57Å; T1463-E1467 WeakPolarHBondContact CA-O 3.37Å | ||
| 1464 | T | 66.9 | Low | 82.7 | Confident | 84 Ų | 84 | 34.8 Ų | 34.8 | 52% | 0.515 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -120.7 | 134 | -169.8 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | Y1433 I1466 E1467 | Y1433-T1464 PolarHBondContact OH-O 3.22Å; T1464-I1466 PolarHBondContact O-N 3.02Å; T1464-I1466 VanDerWaalsContact O-N 3.09Å; T1464-E1467 PolarHBondContact N-O 3.01Å |
| 1465 | G | 66.3 | Low | 82.5 | Confident | 84 Ų | 84 | 34.8 Ų | 34.8 | 87% | 0.866 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | -92.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1466 | I | 70 | Confident | 82.4 | Confident | 39 Ų | 39 | 33 Ų | 33 | 20% | 0.2 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -23.1 | -172.1 | -50.4 | 178.6 | 0 | 0 | 0 | 110.9 | Y1256 N1425 P1426 L1427 T1464 P1468 | Y1256-I1466 HydrophobicContact CD1-CG2 4.16Å; Y1256-I1466 HydrophobicContact CE1-CG2 3.64Å; Y1256-I1466 HydrophobicContact CE2-CG2 4.29Å; N1425-I1466 VanDerWaalsContact OD1-CD1 3.3Å; N1425-I1466 WeakPolarHBondContact OD1-CD1 3.48Å; P1426-I1466 HydrophobicContact CG-CD1 3.4Å; L1427-I1466 HydrophobicContact CB-CD1 4.41Å; L1427-I1466 HydrophobicContact CD1-CD1 3.66Å; L1427-I1466 HydrophobicContact CD1-CG1 3.88Å; L1427-I1466 HydrophobicContact CG-CD1 3.61Å; L1427-I1466 HydrophobicContact CG-CG1 4.33Å; T1464-I1466 PolarHBondContact O-N 3.02Å; T1464-I1466 VanDerWaalsContact O-N 3.09Å; I1466-P1468 VanDerWaalsContact O-CD 3.27Å; I1466-P1468 WeakPolarHBondContact O-CD 3.46Å |
| 1467 | E | 67.5 | Low | 82.4 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | trans | -116 | 89.3 | -176 | -60.7 | -176.9 | 157 | 0 | 0 | 109.3 | Y1433 S1435 G1462 T1463 T1464 L1469 R1557 | Y1433-E1467 HydrophobicContact CE1-CG 4.26Å; Y1433-E1467 WeakPolarHBondContact CE1-OE2 3.23Å; Y1433-E1467 PolarHBondContact OH-OE2 2.93Å; S1435-E1467 PolarHBondContact OG-OE1 3.37Å; S1435-E1467 PolarHBondContact OG-OE2 3.3Å; G1462-E1467 WeakPolarHBondContact CA-OE2 3.35Å; G1462-E1467 WeakPolarHBondContact O-CB 3.35Å; T1463-E1467 CarbonylContact C-O 3.57Å; T1463-E1467 WeakPolarHBondContact CA-O 3.37Å; T1464-E1467 PolarHBondContact N-O 3.01Å; E1467-L1469 VanDerWaalsContact C-N 3.28Å; E1467-L1469 PolarHBondContact O-N 3.01Å; E1467-R1557 VanDerWaalsContact OE1-CD 3.32Å; E1467-R1557 WeakPolarHBondContact OE1-CD 3.4Å; E1467-R1557 VanDerWaalsContact OE1-CG 3.28Å; E1467-R1557 WeakPolarHBondContact OE1-CG 3.44Å; E1467-R1557 IonicContact OE1-CZ 3.76Å; E1467-R1557 IonicContact OE1-NE 2.99Å; E1467-R1557 PolarHBondContact OE1-NE 2.73Å | ||
| 1468 | P | 67.4 | Low | 82.4 | Confident | 82 Ų | 82 | 33 Ų | 33 | 53% | 0.532 | 20% | 0.204 | S | C | . | . | trans | -80 | -6.9 | -175 | 30.7 | -36 | 0 | 0 | 0 | 113.8 | M1147 I1466 | M1147-P1468 HydrophobicContact SD-CB 4.24Å; M1147-P1468 HydrophobicContact SD-CG 4.05Å; I1466-P1468 VanDerWaalsContact O-CD 3.27Å; I1466-P1468 WeakPolarHBondContact O-CD 3.46Å | ||
| 1469 | L | 74.7 | Confident | 82.4 | Confident | 40 Ų | 40 | 32.9 Ų | 32.9 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | trans | -82.6 | 137.7 | -171.4 | -69.2 | 173 | 0 | 0 | 0 | 112.1 | R1142 M1147 W1460 E1467 Q1471 | R1142-L1469 HydrophobicContact CG-CD1 4.39Å; R1142-L1469 VanDerWaalsContact NH2-CB 3.34Å; R1142-L1469 VanDerWaalsContact NH2-CD1 3.27Å; M1147-L1469 HydrophobicContact CB-CD2 4.1Å; M1147-L1469 HydrophobicContact CG-CD2 4.16Å; M1147-L1469 HydrophobicContact SD-CD2 3.96Å; W1460-L1469 PolarHBondContact NE1-O 3.46Å; E1467-L1469 VanDerWaalsContact C-N 3.28Å; E1467-L1469 PolarHBondContact O-N 3.01Å; L1469-Q1471 PolarHBondContact O-N 3.33Å | ||
| 1470 | P | 80.8 | Confident | 82.4 | Confident | 80 Ų | 80 | 29.1 Ų | 29.1 | 52% | 0.519 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -74.1 | -11.2 | -176 | 30.9 | -36.1 | 0 | 0 | 0 | 113.4 | W1460 P1523 | W1460-P1470 VanDerWaalsContact CD1-O 3.25Å; P1470-P1523 WeakPolarHBondContact O-CD 3.36Å; P1470-P1523 WeakPolarHBondContact O-CG 3.36Å |
| 1471 | Q | 84.8 | Confident | 82.5 | Confident | 65 Ų | 65 | 29.5 Ų | 29.5 | 30% | 0.304 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -138.4 | 155.1 | -176.5 | 66.6 | -171.4 | 18.3 | 0 | 0 | 111.2 | L1469 I1521 | L1469-Q1471 PolarHBondContact O-N 3.33Å; Q1471-I1521 WeakPolarHBondContact CA-O 3.48Å |
| 1472 | S | 87.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -72.7 | 162.4 | 168.5 | 75.6 | 0 | 0 | 0 | 0 | 111.1 | W1460 T1520 I1521 | W1460-S1472 VanDerWaalsContact CE3-CB 3.46Å; S1472-T1520 WeakPolarHBondContact O-CB 3.43Å; S1472-T1520 VanDerWaalsContact O-CG2 3.27Å; S1472-T1520 WeakPolarHBondContact O-CG2 3.41Å; S1472-I1521 PolarHBondContact N-O 3.11Å; S1472-I1521 PolarHBondContact OG-N 2.5Å | ||
| 1473 | G | 83.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -73.9 | -156 | 156 | 0 | 0 | 0 | 0 | 0 | 110.1 | R1142 A1475 D1519 E1551 | R1142-G1473 VanDerWaalsContact CD-N 3.35Å; G1473-A1475 PolarHBondContact O-N 3.01Å; G1473-A1475 VanDerWaalsContact O-N 3.11Å; G1473-D1519 CarbonylContact C-O 3.59Å; G1473-D1519 VanDerWaalsContact C-O 3.26Å; G1473-E1551 VanDerWaalsContact CA-OE1 3.31Å; G1473-E1551 WeakPolarHBondContact CA-OE1 3.3Å; G1473-E1551 PolarHBondContact N-OE1 3.12Å |
| 1474 | M | 89.1 | Confident | 84.1 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -54.2 | 122.4 | 174.8 | -170.3 | 175.7 | 70.9 | 0 | 0 | 110.5 | F1059 I1140 F1518 D1519 Y1552 Y1553 | F1059-M1474 HydrophobicContact CZ-SD 4.14Å; I1140-M1474 PolarHBondContact O-N 3.43Å; M1474-F1518 WeakPolarHBondContact CA-O 3.28Å; M1474-F1518 WeakPolarHBondContact CG-O 3.49Å; M1474-D1519 VanDerWaalsContact CA-O 3.25Å; M1474-D1519 WeakPolarHBondContact CA-O 3.24Å; M1474-D1519 PolarHBondContact N-O 3.24Å; M1474-Y1552 HydrophobicContact CE-CD1 3.27Å; M1474-Y1552 HydrophobicContact CE-CD2 4Å; M1474-Y1552 HydrophobicContact CE-CE1 3.98Å; M1474-Y1552 HydrophobicContact CE-CG 3.29Å; M1474-Y1552 WeakPolarHBondContact O-CB 3.47Å; M1474-Y1552 PolarHBondContact O-N 2.89Å; M1474-Y1553 HydrophobicContact CB-CD2 4.37Å; M1474-Y1553 HydrophobicContact CB-CE2 4Å; M1474-Y1553 HydrophobicContact CE-CE2 3.98Å |
| 1475 | A | 91.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 149.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F1436 G1473 F1518 I1521 Y1550 | F1436-A1475 HydrophobicContact CE1-CB 3.91Å; F1436-A1475 HydrophobicContact CZ-CB 3.86Å; G1473-A1475 PolarHBondContact O-N 3.01Å; G1473-A1475 VanDerWaalsContact O-N 3.11Å; A1475-F1518 PolarHBondContact N-O 3.2Å; A1475-F1518 PolarHBondContact O-N 2.94Å; A1475-I1521 HydrophobicContact CB-CB 4.46Å; A1475-I1521 HydrophobicContact CB-CG1 3.63Å; A1475-Y1550 WeakPolarHBondContact CA-O 3.47Å |
| 1476 | V | 93.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 129.2 | -179.2 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | P999 H1515 F1516 F1517 A1549 Y1550 Y1552 | P999-V1476 HydrophobicContact CG-CG1 4.21Å; V1476-H1515 HydrophobicContact CG1-CB 4.45Å; V1476-F1516 VanDerWaalsContact CA-O 3.3Å; V1476-F1516 WeakPolarHBondContact CA-O 3.46Å; V1476-F1517 HydrophobicContact CG1-CZ 4.5Å; V1476-F1517 HydrophobicContact CG2-CD1 3.59Å; V1476-F1517 HydrophobicContact CG2-CE1 3.6Å; V1476-F1517 HydrophobicContact CG2-CG 4.3Å; V1476-F1517 HydrophobicContact CG2-CZ 4.32Å; V1476-A1549 WeakPolarHBondContact O-CA 3.23Å; V1476-Y1550 HydrophobicContact CB-CD2 4.38Å; V1476-Y1550 HydrophobicContact CB-CE1 4.21Å; V1476-Y1550 HydrophobicContact CB-CE2 3.81Å; V1476-Y1550 HydrophobicContact CG1-CE1 4.32Å; V1476-Y1550 HydrophobicContact CG1-CE2 4.45Å; V1476-Y1550 HydrophobicContact CG2-CE2 4.1Å; V1476-Y1550 PolarHBondContact N-O 3.1Å; V1476-Y1550 PolarHBondContact O-N 3.23Å; V1476-Y1550 VanDerWaalsContact O-N 3.12Å; V1476-Y1552 HydrophobicContact CG2-CD2 3.91Å |
| 1477 | F | 95.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122.3 | 163.8 | -64.8 | -7.9 | 0 | 0 | 0 | 109 | I1438 H1515 F1516 F1518 I1521 I1528 S1548 A1549 | I1438-F1477 HydrophobicContact CD1-CB 4.2Å; I1438-F1477 HydrophobicContact CD1-CD1 4Å; I1438-F1477 HydrophobicContact CD1-CD2 4.26Å; I1438-F1477 HydrophobicContact CD1-CE1 4.48Å; I1438-F1477 HydrophobicContact CD1-CG 3.89Å; F1477-H1515 WeakPolarHBondContact O-CA 3.43Å; F1477-F1516 HydrophobicContact CB-CB 4.34Å; F1477-F1516 PolarHBondContact N-O 2.69Å; F1477-F1516 PolarHBondContact O-N 3.1Å; F1477-F1518 HydrophobicContact CB-CE2 4.15Å; F1477-F1518 HydrophobicContact CD1-CE2 4.11Å; F1477-F1518 AromaticContact CD2-CE2 3.45Å; F1477-F1518 HydrophobicContact CD2-CE2 3.45Å; F1477-F1518 VanDerWaalsContact CD2-CE2 3.45Å; F1477-F1518 AromaticContact CD2-CZ 3.73Å; F1477-F1518 HydrophobicContact CD2-CZ 3.73Å; F1477-F1518 HydrophobicContact CE1-CE2 4.37Å; F1477-F1518 AromaticContact CE2-CE2 3.76Å; F1477-F1518 HydrophobicContact CE2-CE2 3.76Å; F1477-F1518 AromaticContact CE2-CZ 3.81Å; F1477-F1518 HydrophobicContact CE2-CZ 3.81Å; F1477-F1518 HydrophobicContact CG-CD2 4.47Å; F1477-F1518 AromaticContact CG-CE2 3.64Å; F1477-F1518 HydrophobicContact CG-CE2 3.64Å; F1477-F1518 HydrophobicContact CG-CZ 4.37Å; F1477-F1518 HydrophobicContact CZ-CE2 4.2Å; F1477-I1521 HydrophobicContact CE1-CD1 4.26Å; F1477-I1521 HydrophobicContact CE1-CG1 4.38Å; F1477-I1521 HydrophobicContact CZ-CD1 3.86Å; F1477-I1521 HydrophobicContact CZ-CG1 4.41Å; F1477-I1528 HydrophobicContact CD2-CD1 4.3Å; F1477-S1548 WeakPolarHBondContact CA-O 3.48Å; F1477-A1549 HydrophobicContact CD1-CB 3.62Å; F1477-A1549 HydrophobicContact CE1-CB 3.68Å |
| 1478 | E | 94.1 | Very high | 88.4 | Confident | 15 Ų | 15 | 20 Ų | 20 | 7% | 0.07 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 113.6 | 176.5 | 176.4 | -171.6 | 143 | 0 | 0 | 109.1 | Y1513 R1546 C1547 S1548 Y1550 | E1478-Y1513 HydrophobicContact CG-CD1 3.76Å; E1478-Y1513 HydrophobicContact CG-CE1 4.35Å; E1478-Y1513 HydrophobicContact CG-CG 4.24Å; E1478-Y1513 WeakPolarHBondContact OE1-CE1 3.3Å; E1478-R1546 IonicContact OE1-CZ 2.68Å; E1478-R1546 IonicContact OE1-NE 2.97Å; E1478-R1546 IonicContact OE1-NH1 3.75Å; E1478-R1546 PolarHBondContact OE1-NH1 3.3Å; E1478-R1546 IonicContact OE2-NH1 2.74Å; E1478-C1547 WeakPolarHBondContact O-CA 3.37Å; E1478-S1548 PolarHBondContact N-O 2.92Å; E1478-S1548 PolarHBondContact O-N 2.87Å; E1478-Y1550 HydrophobicContact CB-CE1 4.21Å |
| 1479 | I | 95 | Very high | 89.4 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 118.2 | -175.6 | -56.3 | 166 | 0 | 0 | 0 | 108 | M1454 A1456 Y1513 V1514 F1516 I1528 F1530 Y1563 | M1454-I1479 HydrophobicContact CE-CG2 4.26Å; M1454-I1479 HydrophobicContact CG-CG2 4.1Å; M1454-I1479 HydrophobicContact SD-CG2 4.42Å; A1456-I1479 HydrophobicContact CB-CD1 3.39Å; A1456-I1479 HydrophobicContact CB-CG1 4.3Å; I1479-Y1513 CarbonylContact O-C 3.46Å; I1479-Y1513 VanDerWaalsContact O-CA 3.26Å; I1479-Y1513 WeakPolarHBondContact O-CA 3.33Å; I1479-V1514 PolarHBondContact N-O 3.47Å; I1479-V1514 PolarHBondContact O-N 3.21Å; I1479-F1516 HydrophobicContact CD1-CD2 4.09Å; I1479-F1516 HydrophobicContact CD1-CE2 3.92Å; I1479-I1528 HydrophobicContact CD1-CD1 3.92Å; I1479-F1530 HydrophobicContact CD1-CE1 3.78Å; I1479-F1530 HydrophobicContact CD1-CZ 4.46Å; I1479-F1530 HydrophobicContact CG2-CZ 4.28Å; I1479-Y1563 HydrophobicContact CG2-CE1 4.28Å |
| 1480 | G | 92.9 | Very high | 89.9 | Confident | 3 Ų | 3 | 17.6 Ų | 17.6 | 3% | 0.031 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 148.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | R1512 R1546 Y1563 | G1480-R1512 CarbonylContact C-O 3.02Å; G1480-R1512 WeakPolarHBondContact CA-O 3.47Å; G1480-R1546 PolarHBondContact N-O 2.82Å; G1480-Y1563 PolarHBondContact O-OH 3.06Å |
| 1481 | L | 92.9 | Very high | 90.2 | Very high | 9 Ų | 9 | 16.5 Ų | 16.5 | 5% | 0.047 | 9% | 0.089 | C | C | . | . | trans | -111.2 | 141 | 171 | -66.4 | 178.7 | 0 | 0 | 0 | 109.2 | M1452 V1487 R1512 V1514 F1530 A1532 | M1452-L1481 HydrophobicContact CE-CD2 3.96Å; L1481-V1487 HydrophobicContact CD1-CG2 3.92Å; L1481-V1487 HydrophobicContact CD2-CG2 4.21Å; L1481-R1512 PolarHBondContact N-O 3.2Å; L1481-V1514 HydrophobicContact CD1-CG2 3.63Å; L1481-V1514 HydrophobicContact CD2-CG2 3.86Å; L1481-V1514 HydrophobicContact CG-CG2 3.83Å; L1481-F1530 HydrophobicContact CD2-CE2 3.93Å; L1481-F1530 HydrophobicContact CD2-CZ 4.19Å; L1481-A1532 HydrophobicContact CD2-CB 4.34Å | ||
| 1482 | P | 92.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 13.6 Ų | 13.6 | 2% | 0.019 | 8% | 0.075 | C | C | . | . | trans | -67.3 | 145.9 | 171.3 | -11.2 | 25.2 | 0 | 0 | 0 | 111.5 | M1452 G1484 F1485 I1541 L1568 | M1452-P1482 HydrophobicContact CE-CG 4.27Å; M1452-P1482 HydrophobicContact SD-CG 4.02Å; P1482-G1484 PolarHBondContact O-N 3.5Å; P1482-F1485 HydrophobicContact CB-CD2 3.83Å; P1482-F1485 HydrophobicContact CB-CE2 4.27Å; P1482-F1485 HydrophobicContact CG-CD2 4.14Å; P1482-F1485 WeakPolarHBondContact O-CB 3.48Å; P1482-F1485 PolarHBondContact O-N 3.35Å; P1482-F1485 VanDerWaalsContact O-N 3.11Å; P1482-I1541 HydrophobicContact CB-CD1 4.5Å; P1482-I1541 HydrophobicContact CB-CG2 3.75Å; P1482-L1568 HydrophobicContact CB-CD1 4.07Å; P1482-L1568 HydrophobicContact CG-CD1 4Å | ||
| 1483 | T | 91.5 | Very high | 90.5 | Very high | 19 Ų | 19 | 16.7 Ų | 16.7 | 12% | 0.117 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 131.1 | -179.7 | -46.9 | 0 | 0 | 0 | 0 | 111.1 | P811 E813 A814 E818 V1538 | P811-T1483 HydrophobicContact CB-CG2 4.29Å; P811-T1483 HydrophobicContact CG-CG2 4.33Å; E813-T1483 WeakPolarHBondContact O-CG2 3.44Å; A814-T1483 HydrophobicContact CB-CG2 4.29Å; E818-T1483 PolarHBondContact OE1-OG1 2.84Å; E818-T1483 WeakPolarHBondContact OE2-CB 3.36Å; E818-T1483 WeakPolarHBondContact OE2-CG2 2.93Å; E818-T1483 PolarHBondContact OE2-OG1 2.86Å; T1483-V1538 HydrophobicContact CG2-CG2 4.13Å |
| 1484 | G | 88.3 | Confident | 90.7 | Very high | 8 Ų | 8 | 22.6 Ų | 22.6 | 8% | 0.082 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -9.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | P1482 R1534 Y1535 Y1536 | P1482-G1484 PolarHBondContact O-N 3.5Å; G1484-R1534 CarbonylContact O-C 3.48Å; G1484-R1534 WeakPolarHBondContact O-CA 3.33Å; G1484-Y1535 PolarHBondContact O-N 3.33Å; G1484-Y1536 PolarHBondContact O-N 2.98Å |
| 1485 | F | 91.3 | Very high | 90.9 | Very high | 5 Ų | 5 | 24.3 Ų | 24.3 | 2% | 0.022 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 131.2 | 169.3 | -73.9 | -100.6 | 0 | 0 | 0 | 110.8 | M1452 P1482 A1532 E1533 R1534 I1541 L1568 | M1452-F1485 HydrophobicContact CB-CD1 3.83Å; M1452-F1485 HydrophobicContact CB-CE1 3.62Å; P1482-F1485 HydrophobicContact CB-CD2 3.83Å; P1482-F1485 HydrophobicContact CB-CE2 4.27Å; P1482-F1485 HydrophobicContact CG-CD2 4.14Å; P1482-F1485 WeakPolarHBondContact O-CB 3.48Å; P1482-F1485 PolarHBondContact O-N 3.35Å; P1482-F1485 VanDerWaalsContact O-N 3.11Å; F1485-A1532 HydrophobicContact CB-CB 4.24Å; F1485-A1532 HydrophobicContact CD1-CB 4.25Å; F1485-E1533 CarbonylContact C-O 3.48Å; F1485-E1533 VanDerWaalsContact CA-O 3.31Å; F1485-E1533 WeakPolarHBondContact CA-O 2.98Å; F1485-R1534 HydrophobicContact CD1-CB 4.18Å; F1485-R1534 HydrophobicContact CD2-CB 4.38Å; F1485-R1534 HydrophobicContact CE1-CB 3.87Å; F1485-R1534 HydrophobicContact CE2-CB 4.08Å; F1485-R1534 HydrophobicContact CE2-CG 4.2Å; F1485-R1534 HydrophobicContact CG-CB 4.44Å; F1485-R1534 HydrophobicContact CZ-CB 3.82Å; F1485-R1534 HydrophobicContact CZ-CG 4.37Å; F1485-I1541 HydrophobicContact CE2-CD1 4.09Å; F1485-L1568 HydrophobicContact CD2-CD1 4.45Å; F1485-L1568 HydrophobicContact CE2-CD1 3.53Å; F1485-L1568 HydrophobicContact CE2-CD2 4.14Å; F1485-L1568 HydrophobicContact CE2-CG 4.49Å; F1485-L1568 HydrophobicContact CZ-CD1 3.78Å; F1485-L1568 HydrophobicContact CZ-CD2 3.86Å; F1485-L1568 HydrophobicContact CZ-CG 4.5Å |
| 1486 | I | 89.8 | Confident | 90.8 | Very high | 45 Ų | 45 | 24.7 Ų | 24.7 | 23% | 0.231 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 141 | -178.5 | -57.8 | -178.7 | 0 | 0 | 0 | 109 | L231 L1488 A1532 E1533 Y1535 Y1536 | L231-I1486 HydrophobicContact CD2-CD1 3.94Å; L231-I1486 HydrophobicContact CD2-CG2 4.35Å; I1486-L1488 HydrophobicContact CG2-CD2 4.23Å; I1486-A1532 WeakPolarHBondContact O-CA 3.34Å; I1486-E1533 PolarHBondContact N-O 2.8Å; I1486-E1533 PolarHBondContact O-N 2.99Å; I1486-Y1535 HydrophobicContact CD1-CD1 3.71Å; I1486-Y1535 HydrophobicContact CD1-CG 3.95Å; I1486-Y1536 HydrophobicContact CD1-CD2 4.17Å; I1486-Y1536 HydrophobicContact CD1-CE2 3.73Å |
| 1487 | V | 91.1 | Very high | 90.6 | Very high | 15 Ų | 15 | 28.8 Ų | 28.8 | 9% | 0.091 | 14% | 0.14 | C | C | . | . | trans | -120.5 | 131.3 | 169 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | L1481 L1492 A1509 V1514 F1530 A1532 | L1481-V1487 HydrophobicContact CD1-CG2 3.92Å; L1481-V1487 HydrophobicContact CD2-CG2 4.21Å; V1487-L1492 HydrophobicContact CG1-CD1 3.81Å; V1487-L1492 HydrophobicContact CG1-CD2 3.94Å; V1487-L1492 HydrophobicContact CG1-CG 3.74Å; V1487-A1509 HydrophobicContact CB-CB 4.01Å; V1487-A1509 HydrophobicContact CG1-CB 4.34Å; V1487-V1514 HydrophobicContact CG2-CG2 4.21Å; V1487-F1530 HydrophobicContact CG1-CD2 4.26Å; V1487-F1530 HydrophobicContact CG2-CD2 3.83Å; V1487-F1530 HydrophobicContact CG2-CE2 3.75Å; V1487-A1532 HydrophobicContact CG2-CB 3.51Å | ||
| 1488 | L | 88.2 | Confident | 90.3 | Very high | 27 Ų | 27 | 32.1 Ų | 32.1 | 14% | 0.141 | 16% | 0.163 | C | C | . | . | trans | -87.4 | 130.1 | -179.5 | -59.2 | 175.4 | 0 | 0 | 0 | 110 | I1486 D1490 D1491 L1492 | I1486-L1488 HydrophobicContact CG2-CD2 4.23Å; L1488-D1490 PolarHBondContact O-N 2.82Å; L1488-D1491 PolarHBondContact O-N 2.66Å; L1488-D1491 VanDerWaalsContact O-N 3.12Å; L1488-L1492 PolarHBondContact O-N 3.02Å | ||
| 1489 | N | 88.9 | Confident | 90 | Very high | 20 Ų | 20 | 36 Ų | 36 | 11% | 0.107 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.3 | -31 | -179.4 | -77.3 | -28.2 | 0 | 0 | 0 | 113.2 | W228 L1492 R1493 A1509 | W228-N1489 HydrophobicContact CD2-CB 3.64Å; W228-N1489 HydrophobicContact CE3-CB 4.06Å; W228-N1489 HydrophobicContact CG-CB 3.87Å; W228-N1489 HydrophobicContact CZ2-CB 4.34Å; W228-N1489 WeakPolarHBondContact CZ3-ND2 2.98Å; N1489-L1492 PolarHBondContact O-N 3.27Å; N1489-R1493 WeakPolarHBondContact O-CB 3.26Å; N1489-R1493 PolarHBondContact O-N 3.49Å; N1489-A1509 PolarHBondContact ND2-O 2.71Å; N1489-A1509 WeakPolarHBondContact OD1-CA 3.33Å; N1489-A1509 WeakPolarHBondContact OD1-CB 3.3Å; N1489-A1509 PolarHBondContact OD1-N 3.17Å; N1489-A1509 PolarHBondContact OD1-O 3.14Å |
| 1490 | D | 85 | Confident | 89.8 | Confident | 52 Ų | 52 | 42.6 Ų | 42.6 | 28% | 0.278 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62 | -41.4 | 174.5 | 177.8 | 20.2 | 0 | 0 | 0 | 111.7 | L1488 L1492 R1493 R1494 | L1488-D1490 PolarHBondContact O-N 2.82Å; D1490-L1492 VanDerWaalsContact C-N 3.35Å; D1490-L1492 PolarHBondContact O-N 3.33Å; D1490-R1493 PolarHBondContact O-N 2.84Å; D1490-R1494 WeakPolarHBondContact O-CB 3.5Å; D1490-R1494 WeakPolarHBondContact O-CG 3.39Å; D1490-R1494 PolarHBondContact O-N 2.98Å; D1490-R1494 IonicContact OD1-CZ 3.08Å; D1490-R1494 IonicContact OD1-NE 3.87Å; D1490-R1494 PolarHBondContact OD1-NE 3.19Å; D1490-R1494 IonicContact OD1-NH2 2.8Å; D1490-R1494 PolarHBondContact OD1-NH2 3.45Å; D1490-R1494 IonicContact OD2-CZ 3.98Å; D1490-R1494 IonicContact OD2-NE 2.77Å; D1490-R1494 IonicContact OD2-NH2 3.2Å; D1490-R1494 PolarHBondContact OD2-NH2 3.32Å |
| 1491 | D | 87.2 | Confident | 89.6 | Confident | 58 Ų | 58 | 43.3 Ų | 43.3 | 31% | 0.31 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.9 | -36.2 | 176.4 | -62.6 | -33.7 | 0 | 0 | 0 | 111.4 | L1488 R1494 Y1495 | L1488-D1491 PolarHBondContact O-N 2.66Å; L1488-D1491 VanDerWaalsContact O-N 3.12Å; D1491-R1494 IonicContact OD1-CZ 3.36Å; D1491-R1494 IonicContact OD1-NH1 2.63Å; D1491-R1494 PolarHBondContact OD1-NH1 2.73Å; D1491-R1494 IonicContact OD1-NH2 2.74Å; D1491-R1494 PolarHBondContact OD1-NH2 3.24Å; D1491-Y1495 WeakPolarHBondContact O-CB 3.45Å; D1491-Y1495 PolarHBondContact O-N 2.82Å |
| 1492 | L | 91 | Very high | 89.3 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.4 | -41.8 | 173.9 | -68 | 178.2 | 0 | 0 | 0 | 112.6 | V1487 L1488 N1489 D1490 Y1495 V1496 A1507 A1509 V1514 F1516 F1530 | V1487-L1492 HydrophobicContact CG1-CD1 3.81Å; V1487-L1492 HydrophobicContact CG1-CD2 3.94Å; V1487-L1492 HydrophobicContact CG1-CG 3.74Å; L1488-L1492 PolarHBondContact O-N 3.02Å; N1489-L1492 PolarHBondContact O-N 3.27Å; D1490-L1492 VanDerWaalsContact C-N 3.35Å; D1490-L1492 PolarHBondContact O-N 3.33Å; L1492-Y1495 WeakPolarHBondContact O-CB 3.24Å; L1492-Y1495 PolarHBondContact O-N 3.23Å; L1492-V1496 WeakPolarHBondContact O-CG2 3.47Å; L1492-V1496 PolarHBondContact O-N 2.96Å; L1492-A1507 HydrophobicContact CB-CB 4.13Å; L1492-A1509 HydrophobicContact CD1-CB 3.76Å; L1492-V1514 HydrophobicContact CD1-CG1 3.75Å; L1492-V1514 HydrophobicContact CD2-CG1 4.42Å; L1492-F1516 HydrophobicContact CD2-CE1 4.11Å; L1492-F1516 HydrophobicContact CD2-CZ 4Å; L1492-F1530 HydrophobicContact CD2-CB 4.17Å |
| 1493 | R | 88.2 | Confident | 89.1 | Confident | 66 Ų | 66 | 49 Ų | 49 | 25% | 0.249 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 176.2 | -170.7 | 176.3 | -177.4 | -160.5 | -5.8 | 110.8 | E204 E226 D1061 N1489 D1490 Y1495 V1496 N1497 | E204-R1493 IonicContact OE1-CZ 2.73Å; E204-R1493 IonicContact OE1-NH1 2.81Å; E204-R1493 PolarHBondContact OE1-NH1 3.41Å; E204-R1493 IonicContact OE1-NH2 3.61Å; E226-R1493 IonicContact OE1-NH1 3.53Å; E226-R1493 IonicContact OE2-CZ 3.81Å; E226-R1493 IonicContact OE2-NH1 3.54Å; E226-R1493 PolarHBondContact OE2-NH1 3.15Å; D1061-R1493 IonicContact OD1-CZ 3.2Å; D1061-R1493 VanDerWaalsContact OD1-CZ 3.29Å; D1061-R1493 IonicContact OD1-NE 3.42Å; D1061-R1493 PolarHBondContact OD1-NE 2.87Å; D1061-R1493 IonicContact OD1-NH2 2.89Å; D1061-R1493 PolarHBondContact OD1-NH2 3.27Å; D1061-R1493 IonicContact OD2-NE 2.62Å; N1489-R1493 WeakPolarHBondContact O-CB 3.26Å; N1489-R1493 PolarHBondContact O-N 3.49Å; D1490-R1493 PolarHBondContact O-N 2.84Å; R1493-Y1495 VanDerWaalsContact C-N 3.28Å; R1493-Y1495 PolarHBondContact O-N 3.46Å; R1493-V1496 PolarHBondContact O-N 3.02Å; R1493-N1497 WeakPolarHBondContact O-CB 3.33Å; R1493-N1497 PolarHBondContact O-N 3.06Å |
| 1494 | R | 87.8 | Confident | 89.1 | Confident | 124 Ų | 124 | 48.2 Ų | 48.2 | 47% | 0.468 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.8 | -38.2 | 171.7 | -75 | -171.1 | -103.7 | 121.9 | -4.6 | 111.8 | D1490 D1491 S1498 | D1490-R1494 WeakPolarHBondContact O-CB 3.5Å; D1490-R1494 WeakPolarHBondContact O-CG 3.39Å; D1490-R1494 PolarHBondContact O-N 2.98Å; D1490-R1494 IonicContact OD1-CZ 3.08Å; D1490-R1494 IonicContact OD1-NE 3.87Å; D1490-R1494 PolarHBondContact OD1-NE 3.19Å; D1490-R1494 IonicContact OD1-NH2 2.8Å; D1490-R1494 PolarHBondContact OD1-NH2 3.45Å; D1490-R1494 IonicContact OD2-CZ 3.98Å; D1490-R1494 IonicContact OD2-NE 2.77Å; D1490-R1494 IonicContact OD2-NH2 3.2Å; D1490-R1494 PolarHBondContact OD2-NH2 3.32Å; D1491-R1494 IonicContact OD1-CZ 3.36Å; D1491-R1494 IonicContact OD1-NH1 2.63Å; D1491-R1494 PolarHBondContact OD1-NH1 2.73Å; D1491-R1494 IonicContact OD1-NH2 2.74Å; D1491-R1494 PolarHBondContact OD1-NH2 3.24Å; R1494-S1498 WeakPolarHBondContact O-CB 3.18Å; R1494-S1498 PolarHBondContact O-N 3.1Å |
| 1495 | Y | 91.6 | Very high | 89.1 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 15% | 0.153 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 174.7 | -176.6 | -113.6 | 0 | 0 | 0 | 112.6 | D1491 L1492 R1493 S1498 M1500 L1504 I1528 Q1529 | D1491-Y1495 WeakPolarHBondContact O-CB 3.45Å; D1491-Y1495 PolarHBondContact O-N 2.82Å; L1492-Y1495 WeakPolarHBondContact O-CB 3.24Å; L1492-Y1495 PolarHBondContact O-N 3.23Å; R1493-Y1495 VanDerWaalsContact C-N 3.28Å; R1493-Y1495 PolarHBondContact O-N 3.46Å; Y1495-S1498 WeakPolarHBondContact O-CB 3.47Å; Y1495-S1498 PolarHBondContact O-N 3.29Å; Y1495-S1498 PolarHBondContact O-OG 3.45Å; Y1495-M1500 HydrophobicContact CE2-SD 3.99Å; Y1495-L1504 HydrophobicContact CD1-CD2 3.93Å; Y1495-L1504 HydrophobicContact CE1-CD2 3.85Å; Y1495-I1528 HydrophobicContact CE1-CB 4.4Å; Y1495-I1528 HydrophobicContact CE1-CG2 4.31Å; Y1495-Q1529 PolarHBondContact OH-N 2.96Å |
| 1496 | V | 90.3 | Very high | 89.1 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 175.2 | 174 | 0 | 0 | 0 | 0 | 111.1 | L1492 R1493 S1498 L1499 L1504 R1505 A1507 | L1492-V1496 WeakPolarHBondContact O-CG2 3.47Å; L1492-V1496 PolarHBondContact O-N 2.96Å; R1493-V1496 PolarHBondContact O-N 3.02Å; V1496-S1498 PolarHBondContact O-N 3.39Å; V1496-L1499 PolarHBondContact O-N 3.03Å; V1496-L1499 VanDerWaalsContact O-N 3.12Å; V1496-L1504 HydrophobicContact CG2-CD2 3.89Å; V1496-L1504 HydrophobicContact CG2-CG 4.08Å; V1496-R1505 VanDerWaalsContact CG1-O 3.31Å; V1496-R1505 WeakPolarHBondContact CG1-O 3.37Å; V1496-A1507 HydrophobicContact CG2-CB 3.72Å |
| 1497 | N | 88.9 | Confident | 89.2 | Confident | 85 Ų | 85 | 48.9 Ų | 48.9 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67 | -22.1 | 180 | -71 | -14 | 0 | 0 | 0 | 113.4 | R1493 L1499 | R1493-N1497 WeakPolarHBondContact O-CB 3.33Å; R1493-N1497 PolarHBondContact O-N 3.06Å; N1497-L1499 PolarHBondContact O-N 3.38Å |
| 1498 | S | 90.1 | Very high | 89.2 | Confident | 70 Ų | 70 | 50.1 Ų | 50.1 | 49% | 0.49 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -15.8 | 174.2 | 78.9 | 0 | 0 | 0 | 0 | 113.4 | R1494 Y1495 V1496 M1500 | R1494-S1498 WeakPolarHBondContact O-CB 3.18Å; R1494-S1498 PolarHBondContact O-N 3.1Å; Y1495-S1498 WeakPolarHBondContact O-CB 3.47Å; Y1495-S1498 PolarHBondContact O-N 3.29Å; Y1495-S1498 PolarHBondContact O-OG 3.45Å; V1496-S1498 PolarHBondContact O-N 3.39Å; S1498-M1500 PolarHBondContact O-N 3.45Å; S1498-M1500 PolarHBondContact OG-N 3.22Å |
| 1499 | L | 88 | Confident | 89.3 | Confident | 96 Ų | 96 | 49.3 Ų | 49.3 | 50% | 0.503 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 20.2 | -177.1 | -56.8 | 179.7 | 0 | 0 | 0 | 114.2 | V1496 N1497 V1501 | V1496-L1499 PolarHBondContact O-N 3.03Å; V1496-L1499 VanDerWaalsContact O-N 3.12Å; N1497-L1499 PolarHBondContact O-N 3.38Å; L1499-V1501 PolarHBondContact O-N 3.09Å |
| 1500 | M | 90 | Very high | 89.1 | Confident | 140 Ų | 140 | 50.8 Ų | 50.8 | 69% | 0.69 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -58.8 | -32.1 | 177.6 | -172.8 | 178.4 | -177.4 | 0 | 0 | 111.8 | Y1495 S1498 | Y1495-M1500 HydrophobicContact CE2-SD 3.99Å; S1498-M1500 PolarHBondContact O-N 3.45Å; S1498-M1500 PolarHBondContact OG-N 3.22Å |
| 1501 | V | 89.8 | Confident | 88.8 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 11% | 0.109 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -112.9 | 109.1 | 171.6 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | L1499 N1503 L1504 F1518 C1527 I1528 | L1499-V1501 PolarHBondContact O-N 3.09Å; V1501-N1503 VanDerWaalsContact C-N 3.33Å; V1501-N1503 PolarHBondContact O-N 3.21Å; V1501-L1504 HydrophobicContact CB-CB 3.89Å; V1501-L1504 HydrophobicContact CB-CD2 4.49Å; V1501-L1504 HydrophobicContact CG1-CB 3.88Å; V1501-L1504 PolarHBondContact O-N 3.05Å; V1501-F1518 HydrophobicContact CG1-CE1 4.14Å; V1501-C1527 WeakPolarHBondContact CG2-O 3.5Å; V1501-I1528 HydrophobicContact CG2-CG2 4.18Å |
| 1502 | P | 86.5 | Confident | 88.7 | Confident | 88 Ų | 88 | 52 Ų | 52 | 57% | 0.571 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -30 | -165.9 | 23.4 | -34 | 0 | 0 | 0 | 114.4 | R1505 | P1502-R1505 PolarHBondContact O-NH1 3.46Š|
| 1503 | N | 87.1 | Confident | 88.7 | Confident | 44 Ų | 44 | 53.5 Ų | 53.5 | 24% | 0.235 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -8.1 | -178.7 | -65 | 5.7 | 0 | 0 | 0 | 113.2 | V1501 R1505 F1518 D1519 T1520 | V1501-N1503 VanDerWaalsContact C-N 3.33Å; V1501-N1503 PolarHBondContact O-N 3.21Å; N1503-R1505 PolarHBondContact O-N 3.05Å; N1503-F1518 HydrophobicContact CB-CD1 4.49Å; N1503-F1518 WeakPolarHBondContact O-CA 3.25Å; N1503-D1519 PolarHBondContact O-N 3.11Å; N1503-T1520 PolarHBondContact ND2-O 3.21Å; N1503-T1520 VanDerWaalsContact ND2-O 3.08Å |
| 1504 | L | 91.4 | Very high | 89 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 121.9 | 178.5 | 179.9 | 67.7 | 0 | 0 | 0 | 108.9 | Y1495 V1496 V1501 F1516 F1518 I1528 | Y1495-L1504 HydrophobicContact CD1-CD2 3.93Å; Y1495-L1504 HydrophobicContact CE1-CD2 3.85Å; V1496-L1504 HydrophobicContact CG2-CD2 3.89Å; V1496-L1504 HydrophobicContact CG2-CG 4.08Å; V1501-L1504 HydrophobicContact CB-CB 3.89Å; V1501-L1504 HydrophobicContact CB-CD2 4.49Å; V1501-L1504 HydrophobicContact CG1-CB 3.88Å; V1501-L1504 PolarHBondContact O-N 3.05Å; L1504-F1516 HydrophobicContact CD1-CB 3.91Å; L1504-F1516 HydrophobicContact CD1-CD1 3.87Å; L1504-F1516 HydrophobicContact CD1-CG 4.4Å; L1504-F1516 HydrophobicContact CD2-CD1 4.26Å; L1504-F1518 HydrophobicContact CB-CD1 4.24Å; L1504-F1518 HydrophobicContact CB-CE1 4.09Å; L1504-F1518 HydrophobicContact CD1-CD1 4.28Å; L1504-F1518 HydrophobicContact CD1-CE1 3.93Å; L1504-F1518 HydrophobicContact CD1-CZ 4.06Å; L1504-I1528 HydrophobicContact CD2-CG2 4.45Å |
| 1505 | R | 89.2 | Confident | 89.3 | Confident | 34 Ų | 34 | 45.1 Ų | 45.1 | 13% | 0.128 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -29.1 | -177.9 | -63.9 | -50.8 | -167.4 | -140 | -1.9 | 114.4 | F1059 V1496 P1502 N1503 F1517 D1519 | F1059-R1505 HydrophobicContact CD1-CB 4.08Å; F1059-R1505 HydrophobicContact CD2-CB 3.49Å; F1059-R1505 VanDerWaalsContact CD2-CB 3.49Å; F1059-R1505 HydrophobicContact CD2-CG 3.78Å; F1059-R1505 HydrophobicContact CE1-CB 4.02Å; F1059-R1505 HydrophobicContact CE2-CB 3.42Å; F1059-R1505 VanDerWaalsContact CE2-CB 3.42Å; F1059-R1505 HydrophobicContact CE2-CG 3.59Å; F1059-R1505 HydrophobicContact CG-CB 3.83Å; F1059-R1505 HydrophobicContact CZ-CB 3.7Å; F1059-R1505 HydrophobicContact CZ-CG 4.24Å; V1496-R1505 VanDerWaalsContact CG1-O 3.31Å; V1496-R1505 WeakPolarHBondContact CG1-O 3.37Å; P1502-R1505 PolarHBondContact O-NH1 3.46Å; N1503-R1505 PolarHBondContact O-N 3.05Å; R1505-F1517 PolarHBondContact N-O 3.37Å; R1505-D1519 WeakPolarHBondContact CG-OD1 3.17Å; R1505-D1519 IonicContact CZ-OD2 3.77Å; R1505-D1519 IonicContact NE-OD1 3.73Å; R1505-D1519 IonicContact NE-OD2 3.7Å; R1505-D1519 PolarHBondContact NE-OD2 2.86Å; R1505-D1519 IonicContact NH2-OD2 3.39Å; R1505-D1519 PolarHBondContact NH2-OD2 3.34Å |
| 1506 | Y | 91 | Very high | 89.5 | Confident | 29 Ų | 29 | 43.2 Ų | 43.2 | 11% | 0.114 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 146.6 | -178.5 | -174.5 | -103.3 | 0 | 0 | 0 | 111.3 | Q201 A1001 R1508 F1517 | Q201-Y1506 PolarHBondContact NE2-OH 3.47Å; A1001-Y1506 HydrophobicContact CB-CD1 3.26Å; A1001-Y1506 HydrophobicContact CB-CE1 3.66Å; A1001-Y1506 HydrophobicContact CB-CG 3.99Å; Y1506-R1508 HydrophobicContact CE1-CB 3.8Å; Y1506-F1517 AromaticContact CD1-CD2 3.77Å; Y1506-F1517 HydrophobicContact CD1-CD2 3.77Å; Y1506-F1517 HydrophobicContact CD1-CE2 4.1Å; Y1506-F1517 PolarHBondContact O-N 2.96Å |
| 1507 | A | 92.3 | Very high | 89.6 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 7% | 0.066 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 138 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1492 V1496 H1515 F1516 | L1492-A1507 HydrophobicContact CB-CB 4.13Å; V1496-A1507 HydrophobicContact CG2-CB 3.72Å; A1507-H1515 VanDerWaalsContact CA-O 3.27Å; A1507-H1515 WeakPolarHBondContact CA-O 3.26Å; A1507-F1516 HydrophobicContact CB-CD1 3.62Å; A1507-F1516 HydrophobicContact CB-CE1 3.79Å; A1507-F1516 HydrophobicContact CB-CG 4.43Å |
| 1508 | R | 90.7 | Very high | 89.7 | Confident | 42 Ų | 42 | 38.9 Ų | 38.9 | 16% | 0.158 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 132.9 | 177.3 | -175.5 | 174.5 | -179.1 | 159.1 | 5.9 | 110.5 | D200 Y1506 H1515 | D200-R1508 IonicContact OD2-CZ 3.62Å; D200-R1508 IonicContact OD2-NH1 3.04Å; D200-R1508 PolarHBondContact OD2-NH1 2.89Å; D200-R1508 IonicContact OD2-NH2 3.6Å; D200-R1508 PolarHBondContact OD2-NH2 3.28Å; D200-R1508 VanDerWaalsContact OD2-NH2 3.17Å; Y1506-R1508 HydrophobicContact CE1-CB 3.8Å; R1508-H1515 PolarHBondContact N-O 3.2Å; R1508-H1515 PolarHBondContact O-N 3.39Å |
| 1509 | A | 90.2 | Very high | 89.6 | Confident | 10 Ų | 10 | 36.9 Ų | 36.9 | 8% | 0.083 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 130.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | V1487 N1489 L1492 V1514 | V1487-A1509 HydrophobicContact CB-CB 4.01Å; V1487-A1509 HydrophobicContact CG1-CB 4.34Å; N1489-A1509 PolarHBondContact ND2-O 2.71Å; N1489-A1509 WeakPolarHBondContact OD1-CA 3.33Å; N1489-A1509 WeakPolarHBondContact OD1-CB 3.3Å; N1489-A1509 PolarHBondContact OD1-N 3.17Å; N1489-A1509 PolarHBondContact OD1-O 3.14Å; L1492-A1509 HydrophobicContact CD1-CB 3.76Å; A1509-V1514 HydrophobicContact CB-CG1 4.47Å; A1509-V1514 HydrophobicContact CB-CG2 4.12Å |
| 1510 | N | 84.6 | Confident | 89.6 | Confident | 50 Ų | 50 | 33.4 Ų | 33.4 | 27% | 0.267 | 18% | 0.177 | S | C | . | . | trans | -99.9 | 175.4 | 160.6 | -66 | -15.7 | 0 | 0 | 0 | 108.2 | R1512 Y1513 | N1510-R1512 PolarHBondContact O-N 3.28Å; N1510-R1512 VanDerWaalsContact O-N 3.08Å; N1510-Y1513 PolarHBondContact N-O 3.12Å | ||
| 1511 | S | 78.7 | Confident | 89.6 | Confident | 90 Ų | 90 | 26.7 Ų | 26.7 | 63% | 0.629 | 15% | 0.145 | S | C | * | . | S | Bend | trans | -56.1 | -28.5 | 179.3 | 55.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1512 | R | 85.6 | Confident | 89.7 | Confident | 46 Ų | 46 | 27.4 Ų | 27.4 | 17% | 0.174 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -116.9 | -24.9 | -173.7 | -171.3 | 173.9 | -176.5 | -152.6 | 1.1 | 115.2 | G1480 L1481 N1510 | G1480-R1512 CarbonylContact C-O 3.02Å; G1480-R1512 WeakPolarHBondContact CA-O 3.47Å; L1481-R1512 PolarHBondContact N-O 3.2Å; N1510-R1512 PolarHBondContact O-N 3.28Å; N1510-R1512 VanDerWaalsContact O-N 3.08Å |
| 1513 | Y | 91.4 | Very high | 89.8 | Confident | 35 Ų | 35 | 25.9 Ų | 25.9 | 14% | 0.137 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 146.9 | -173.2 | -61.6 | -80.4 | 0 | 0 | 0 | 111 | E1478 I1479 N1510 | E1478-Y1513 HydrophobicContact CG-CD1 3.76Å; E1478-Y1513 HydrophobicContact CG-CE1 4.35Å; E1478-Y1513 HydrophobicContact CG-CG 4.24Å; E1478-Y1513 WeakPolarHBondContact OE1-CE1 3.3Å; I1479-Y1513 CarbonylContact O-C 3.46Å; I1479-Y1513 VanDerWaalsContact O-CA 3.26Å; I1479-Y1513 WeakPolarHBondContact O-CA 3.33Å; N1510-Y1513 PolarHBondContact N-O 3.12Å |
| 1514 | V | 94.5 | Very high | 90 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.9 | 164.3 | -167.1 | 0 | 0 | 0 | 0 | 108.3 | I1479 L1481 V1487 L1492 A1509 F1516 F1530 | I1479-V1514 PolarHBondContact N-O 3.47Å; I1479-V1514 PolarHBondContact O-N 3.21Å; L1481-V1514 HydrophobicContact CD1-CG2 3.63Å; L1481-V1514 HydrophobicContact CD2-CG2 3.86Å; L1481-V1514 HydrophobicContact CG-CG2 3.83Å; V1487-V1514 HydrophobicContact CG2-CG2 4.21Å; L1492-V1514 HydrophobicContact CD1-CG1 3.75Å; L1492-V1514 HydrophobicContact CD2-CG1 4.42Å; A1509-V1514 HydrophobicContact CB-CG1 4.47Å; A1509-V1514 HydrophobicContact CB-CG2 4.12Å; V1514-F1516 HydrophobicContact CB-CE2 3.91Å; V1514-F1516 HydrophobicContact CG1-CD2 4.02Å; V1514-F1516 HydrophobicContact CG1-CE1 4.49Å; V1514-F1516 HydrophobicContact CG1-CE2 3.27Å; V1514-F1516 HydrophobicContact CG1-CZ 3.56Å; V1514-F1530 HydrophobicContact CB-CZ 4.24Å; V1514-F1530 HydrophobicContact CG2-CE2 3.95Å; V1514-F1530 HydrophobicContact CG2-CZ 3.93Å |
| 1515 | H | 93.9 | Very high | 90 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 6% | 0.06 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 127.5 | 178.6 | -57.2 | -71.5 | 0 | 0 | 0 | 109.7 | P999 V1476 F1477 A1507 R1508 F1517 | P999-H1515 HydrophobicContact CB-CB 4.45Å; V1476-H1515 HydrophobicContact CG1-CB 4.45Å; F1477-H1515 WeakPolarHBondContact O-CA 3.43Å; A1507-H1515 VanDerWaalsContact CA-O 3.27Å; A1507-H1515 WeakPolarHBondContact CA-O 3.26Å; R1508-H1515 PolarHBondContact N-O 3.2Å; R1508-H1515 PolarHBondContact O-N 3.39Å; H1515-F1517 HydrophobicContact CB-CE2 3.84Å |
| 1516 | F | 94.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.1 | 174.3 | -65.3 | -92.4 | 0 | 0 | 0 | 109.6 | V1476 F1477 I1479 L1492 L1504 A1507 V1514 F1518 I1528 F1530 | V1476-F1516 VanDerWaalsContact CA-O 3.3Å; V1476-F1516 WeakPolarHBondContact CA-O 3.46Å; F1477-F1516 HydrophobicContact CB-CB 4.34Å; F1477-F1516 PolarHBondContact N-O 2.69Å; F1477-F1516 PolarHBondContact O-N 3.1Å; I1479-F1516 HydrophobicContact CD1-CD2 4.09Å; I1479-F1516 HydrophobicContact CD1-CE2 3.92Å; L1492-F1516 HydrophobicContact CD2-CE1 4.11Å; L1492-F1516 HydrophobicContact CD2-CZ 4Å; L1504-F1516 HydrophobicContact CD1-CB 3.91Å; L1504-F1516 HydrophobicContact CD1-CD1 3.87Å; L1504-F1516 HydrophobicContact CD1-CG 4.4Å; L1504-F1516 HydrophobicContact CD2-CD1 4.26Å; A1507-F1516 HydrophobicContact CB-CD1 3.62Å; A1507-F1516 HydrophobicContact CB-CE1 3.79Å; A1507-F1516 HydrophobicContact CB-CG 4.43Å; V1514-F1516 HydrophobicContact CB-CE2 3.91Å; V1514-F1516 HydrophobicContact CG1-CD2 4.02Å; V1514-F1516 HydrophobicContact CG1-CE1 4.49Å; V1514-F1516 HydrophobicContact CG1-CE2 3.27Å; V1514-F1516 HydrophobicContact CG1-CZ 3.56Å; F1516-F1518 HydrophobicContact CB-CE2 3.73Å; F1516-F1518 HydrophobicContact CB-CZ 4.05Å; F1516-I1528 HydrophobicContact CB-CD1 4.1Å; F1516-I1528 HydrophobicContact CD1-CD1 3.72Å; F1516-I1528 HydrophobicContact CD1-CG2 4.48Å; F1516-I1528 HydrophobicContact CD2-CD1 3.19Å; F1516-I1528 HydrophobicContact CE1-CD1 3.87Å; F1516-I1528 HydrophobicContact CE2-CD1 3.36Å; F1516-I1528 HydrophobicContact CG-CD1 3.39Å; F1516-I1528 HydrophobicContact CZ-CD1 3.7Å; F1516-F1530 AromaticContact CE2-CD1 3.8Å; F1516-F1530 HydrophobicContact CE2-CD1 3.8Å; F1516-F1530 AromaticContact CE2-CE1 3.69Å; F1516-F1530 HydrophobicContact CE2-CE1 3.69Å; F1516-F1530 HydrophobicContact CZ-CB 4.48Å; F1516-F1530 AromaticContact CZ-CD1 3.47Å; F1516-F1530 HydrophobicContact CZ-CD1 3.47Å; F1516-F1530 VanDerWaalsContact CZ-CD1 3.47Å; F1516-F1530 AromaticContact CZ-CE1 3.88Å; F1516-F1530 HydrophobicContact CZ-CE1 3.88Å; F1516-F1530 HydrophobicContact CZ-CG 4.11Å |
| 1517 | F | 93.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.5 | -177.5 | -68.9 | -102 | 0 | 0 | 0 | 110.5 | P999 A1001 F1059 V1476 R1505 Y1506 H1515 Y1552 | P999-F1517 HydrophobicContact CB-CE2 4.5Å; P999-F1517 HydrophobicContact CB-CZ 3.87Å; P999-F1517 HydrophobicContact CG-CE1 4.43Å; P999-F1517 HydrophobicContact CG-CZ 3.75Å; A1001-F1517 HydrophobicContact CB-CD1 3.67Å; A1001-F1517 HydrophobicContact CB-CD2 3.61Å; A1001-F1517 HydrophobicContact CB-CE1 3.55Å; A1001-F1517 HydrophobicContact CB-CE2 3.49Å; A1001-F1517 VanDerWaalsContact CB-CE2 3.49Å; A1001-F1517 HydrophobicContact CB-CG 3.69Å; A1001-F1517 HydrophobicContact CB-CZ 3.45Å; A1001-F1517 VanDerWaalsContact CB-CZ 3.45Å; F1059-F1517 HydrophobicContact CE1-CB 4.36Å; V1476-F1517 HydrophobicContact CG1-CZ 4.5Å; V1476-F1517 HydrophobicContact CG2-CD1 3.59Å; V1476-F1517 HydrophobicContact CG2-CE1 3.6Å; V1476-F1517 HydrophobicContact CG2-CG 4.3Å; V1476-F1517 HydrophobicContact CG2-CZ 4.32Å; R1505-F1517 PolarHBondContact N-O 3.37Å; Y1506-F1517 AromaticContact CD1-CD2 3.77Å; Y1506-F1517 HydrophobicContact CD1-CD2 3.77Å; Y1506-F1517 HydrophobicContact CD1-CE2 4.1Å; Y1506-F1517 PolarHBondContact O-N 2.96Å; H1515-F1517 HydrophobicContact CB-CE2 3.84Å; F1517-Y1552 HydrophobicContact CE1-CD2 4.42Å; F1517-Y1552 HydrophobicContact CE1-CE2 4.42Å |
| 1518 | F | 91.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 141.4 | 179.2 | -57.3 | -92.5 | 0 | 0 | 0 | 110 | M1474 A1475 F1477 V1501 N1503 L1504 F1516 I1521 I1528 | M1474-F1518 WeakPolarHBondContact CA-O 3.28Å; M1474-F1518 WeakPolarHBondContact CG-O 3.49Å; A1475-F1518 PolarHBondContact N-O 3.2Å; A1475-F1518 PolarHBondContact O-N 2.94Å; F1477-F1518 HydrophobicContact CB-CE2 4.15Å; F1477-F1518 HydrophobicContact CD1-CE2 4.11Å; F1477-F1518 AromaticContact CD2-CE2 3.45Å; F1477-F1518 HydrophobicContact CD2-CE2 3.45Å; F1477-F1518 VanDerWaalsContact CD2-CE2 3.45Å; F1477-F1518 AromaticContact CD2-CZ 3.73Å; F1477-F1518 HydrophobicContact CD2-CZ 3.73Å; F1477-F1518 HydrophobicContact CE1-CE2 4.37Å; F1477-F1518 AromaticContact CE2-CE2 3.76Å; F1477-F1518 HydrophobicContact CE2-CE2 3.76Å; F1477-F1518 AromaticContact CE2-CZ 3.81Å; F1477-F1518 HydrophobicContact CE2-CZ 3.81Å; F1477-F1518 HydrophobicContact CG-CD2 4.47Å; F1477-F1518 AromaticContact CG-CE2 3.64Å; F1477-F1518 HydrophobicContact CG-CE2 3.64Å; F1477-F1518 HydrophobicContact CG-CZ 4.37Å; F1477-F1518 HydrophobicContact CZ-CE2 4.2Å; V1501-F1518 HydrophobicContact CG1-CE1 4.14Å; N1503-F1518 HydrophobicContact CB-CD1 4.49Å; N1503-F1518 WeakPolarHBondContact O-CA 3.25Å; L1504-F1518 HydrophobicContact CB-CD1 4.24Å; L1504-F1518 HydrophobicContact CB-CE1 4.09Å; L1504-F1518 HydrophobicContact CD1-CD1 4.28Å; L1504-F1518 HydrophobicContact CD1-CE1 3.93Å; L1504-F1518 HydrophobicContact CD1-CZ 4.06Å; F1516-F1518 HydrophobicContact CB-CE2 3.73Å; F1516-F1518 HydrophobicContact CB-CZ 4.05Å; F1518-I1521 HydrophobicContact CB-CD1 3.81Å; F1518-I1521 HydrophobicContact CB-CG1 4.16Å; F1518-I1521 HydrophobicContact CD1-CD1 3.82Å; F1518-I1521 HydrophobicContact CD2-CD1 3.88Å; F1518-I1521 HydrophobicContact CE1-CD1 4.33Å; F1518-I1521 HydrophobicContact CE2-CD1 4.4Å; F1518-I1521 HydrophobicContact CG-CD1 3.57Å; F1518-I1521 HydrophobicContact CG-CG1 4.34Å; F1518-I1528 HydrophobicContact CE1-CG2 4.21Å; F1518-I1528 HydrophobicContact CZ-CG2 3.89Å |
| 1519 | D | 86.4 | Confident | 90.7 | Very high | 28 Ų | 28 | 38.4 Ų | 38.4 | 15% | 0.15 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -60.1 | -49.3 | 172.8 | -80.9 | -9.2 | 0 | 0 | 0 | 111.1 | F1059 G1473 M1474 N1503 R1505 | F1059-D1519 WeakPolarHBondContact CE2-OD1 3.48Å; G1473-D1519 CarbonylContact C-O 3.59Å; G1473-D1519 VanDerWaalsContact C-O 3.26Å; M1474-D1519 VanDerWaalsContact CA-O 3.25Å; M1474-D1519 WeakPolarHBondContact CA-O 3.24Å; M1474-D1519 PolarHBondContact N-O 3.24Å; N1503-D1519 PolarHBondContact O-N 3.11Å; R1505-D1519 WeakPolarHBondContact CG-OD1 3.17Å; R1505-D1519 IonicContact CZ-OD2 3.77Å; R1505-D1519 IonicContact NE-OD1 3.73Å; R1505-D1519 IonicContact NE-OD2 3.7Å; R1505-D1519 PolarHBondContact NE-OD2 2.86Å; R1505-D1519 IonicContact NH2-OD2 3.39Å; R1505-D1519 PolarHBondContact NH2-OD2 3.34Å |
| 1520 | T | 88.4 | Confident | 90.9 | Very high | 22 Ų | 22 | 38.4 Ų | 38.4 | 14% | 0.135 | 21% | 0.206 | C | C | . | . | trans | -151.4 | 149.8 | 176 | 60.1 | 0 | 0 | 0 | 0 | 109.2 | S1472 N1503 | S1472-T1520 WeakPolarHBondContact O-CB 3.43Å; S1472-T1520 VanDerWaalsContact O-CG2 3.27Å; S1472-T1520 WeakPolarHBondContact O-CG2 3.41Å; N1503-T1520 PolarHBondContact ND2-O 3.21Å; N1503-T1520 VanDerWaalsContact ND2-O 3.08Å | ||
| 1521 | I | 91.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -111.1 | 124.5 | 168.8 | -62.5 | -70.1 | 0 | 0 | 0 | 107.1 | F1436 W1460 Q1471 S1472 A1475 F1477 F1518 T1526 | F1436-I1521 HydrophobicContact CD1-CG2 4.49Å; F1436-I1521 HydrophobicContact CE1-CB 4.09Å; F1436-I1521 HydrophobicContact CE1-CG1 4.31Å; F1436-I1521 HydrophobicContact CE1-CG2 4.33Å; W1460-I1521 HydrophobicContact CB-CG2 4.26Å; W1460-I1521 WeakPolarHBondContact CB-O 3.48Å; Q1471-I1521 WeakPolarHBondContact CA-O 3.48Å; S1472-I1521 PolarHBondContact N-O 3.11Å; S1472-I1521 PolarHBondContact OG-N 2.5Å; A1475-I1521 HydrophobicContact CB-CB 4.46Å; A1475-I1521 HydrophobicContact CB-CG1 3.63Å; F1477-I1521 HydrophobicContact CE1-CD1 4.26Å; F1477-I1521 HydrophobicContact CE1-CG1 4.38Å; F1477-I1521 HydrophobicContact CZ-CD1 3.86Å; F1477-I1521 HydrophobicContact CZ-CG1 4.41Å; F1518-I1521 HydrophobicContact CB-CD1 3.81Å; F1518-I1521 HydrophobicContact CB-CG1 4.16Å; F1518-I1521 HydrophobicContact CD1-CD1 3.82Å; F1518-I1521 HydrophobicContact CD2-CD1 3.88Å; F1518-I1521 HydrophobicContact CE1-CD1 4.33Å; F1518-I1521 HydrophobicContact CE2-CD1 4.4Å; F1518-I1521 HydrophobicContact CG-CD1 3.57Å; F1518-I1521 HydrophobicContact CG-CG1 4.34Å; I1521-T1526 HydrophobicContact CD1-CG2 4.32Å; I1521-T1526 WeakPolarHBondContact CD1-OG1 3.36Å | ||
| 1522 | T | 90.2 | Very high | 91.8 | Very high | 33 Ų | 33 | 35 Ų | 35 | 20% | 0.202 | 18% | 0.183 | C | C | . | . | trans | -88.6 | 174.8 | 177.1 | 62.3 | 0 | 0 | 0 | 0 | 110.2 | W1460 D1524 | W1460-T1522 WeakPolarHBondContact CB-O 3.37Å; W1460-T1522 PolarHBondContact N-O 2.86Å; T1522-D1524 PolarHBondContact O-N 2.96Å; T1522-D1524 PolarHBondContact OG1-N 2.93Å | ||
| 1523 | P | 89.6 | Confident | 91.8 | Very high | 55 Ų | 55 | 34.6 Ų | 34.6 | 36% | 0.357 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -66.1 | -13.6 | 172.9 | -21.1 | 36.5 | 0 | 0 | 0 | 113 | R1459 W1460 P1470 | R1459-P1523 WeakPolarHBondContact CB-O 3.47Å; R1459-P1523 WeakPolarHBondContact CD-O 3.35Å; W1460-P1523 WeakPolarHBondContact O-CA 3.36Å; P1470-P1523 WeakPolarHBondContact O-CD 3.36Å; P1470-P1523 WeakPolarHBondContact O-CG 3.36Å |
| 1524 | D | 91.4 | Very high | 91.7 | Very high | 117 Ų | 117 | 34.7 Ų | 34.7 | 63% | 0.626 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -73 | 146.6 | 174.5 | -55.5 | -47.1 | 0 | 0 | 0 | 111.1 | R1459 T1522 T1526 | R1459-D1524 WeakPolarHBondContact CB-O 3.38Å; T1522-D1524 PolarHBondContact O-N 2.96Å; T1522-D1524 PolarHBondContact OG1-N 2.93Å; D1524-T1526 PolarHBondContact O-N 2.94Å; D1524-T1526 VanDerWaalsContact O-N 3.12Å |
| 1525 | K | 91.4 | Very high | 91.3 | Very high | 124 Ų | 124 | 35.2 Ų | 35.2 | 54% | 0.539 | 19% | 0.185 | S | C | . | . | trans | -71.9 | 107.8 | -179.3 | -165.9 | 169.7 | -176.6 | 168 | 0 | 110 | E1439 C1457 | E1439-K1525 IonicContact OE2-NZ 2.71Å; E1439-K1525 PolarHBondContact OE2-NZ 2.75Å; E1439-K1525 VanDerWaalsContact OE2-NZ 3.08Å; C1457-K1525 HydrophobicContact CB-CD 4.18Å; C1457-K1525 HydrophobicContact CB-CG 3.97Å | ||
| 1526 | T | 93.8 | Very high | 91.1 | Very high | 21 Ų | 21 | 36.8 Ų | 36.8 | 13% | 0.129 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 128 | 172.1 | 62 | 0 | 0 | 0 | 0 | 109.5 | C1457 G1458 I1521 D1524 | C1457-T1526 CarbonylContact C-O 3.57Å; C1457-T1526 WeakPolarHBondContact CA-O 3Å; G1458-T1526 PolarHBondContact N-O 2.89Å; G1458-T1526 PolarHBondContact O-N 3.21Å; G1458-T1526 PolarHBondContact O-OG1 2.85Å; I1521-T1526 HydrophobicContact CD1-CG2 4.32Å; I1521-T1526 WeakPolarHBondContact CD1-OG1 3.36Å; D1524-T1526 PolarHBondContact O-N 2.94Å; D1524-T1526 VanDerWaalsContact O-N 3.12Å |
| 1527 | C | 95 | Very high | 90.8 | Very high | 54 Ų | 54 | 37.2 Ų | 37.2 | 37% | 0.365 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 139.2 | -176.8 | -67.7 | 0 | 0 | 0 | 0 | 111 | A1456 C1457 V1501 | A1456-C1527 CarbonylContact O-C 3.6Å; A1456-C1527 WeakPolarHBondContact O-CA 3.5Å; C1457-C1527 HydrophobicContact CB-CB 4.13Å; C1457-C1527 WeakPolarHBondContact CB-SG 3.29Å; C1457-C1527 WeakPolarHBondContact SG-CB 3.34Å; C1457-C1527 CovalentContact SG-SG 2.04Å; C1457-C1527 PolarHBondContact SG-SG 2.86Å; V1501-C1527 WeakPolarHBondContact CG2-O 3.5Å |
| 1528 | I | 95 | Very high | 90.6 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 146.3 | 172.3 | 51.5 | 162.3 | 0 | 0 | 0 | 109.4 | T1455 A1456 F1477 I1479 Y1495 V1501 L1504 F1516 F1518 | T1455-I1528 WeakPolarHBondContact CA-O 3.43Å; A1456-I1528 HydrophobicContact CB-CD1 4.09Å; A1456-I1528 HydrophobicContact CB-CG1 3.86Å; A1456-I1528 PolarHBondContact N-O 2.9Å; A1456-I1528 WeakPolarHBondContact O-CG1 3.35Å; A1456-I1528 PolarHBondContact O-N 2.8Å; F1477-I1528 HydrophobicContact CD2-CD1 4.3Å; I1479-I1528 HydrophobicContact CD1-CD1 3.92Å; Y1495-I1528 HydrophobicContact CE1-CB 4.4Å; Y1495-I1528 HydrophobicContact CE1-CG2 4.31Å; V1501-I1528 HydrophobicContact CG2-CG2 4.18Å; L1504-I1528 HydrophobicContact CD2-CG2 4.45Å; F1516-I1528 HydrophobicContact CB-CD1 4.1Å; F1516-I1528 HydrophobicContact CD1-CD1 3.72Å; F1516-I1528 HydrophobicContact CD1-CG2 4.48Å; F1516-I1528 HydrophobicContact CD2-CD1 3.19Å; F1516-I1528 HydrophobicContact CE1-CD1 3.87Å; F1516-I1528 HydrophobicContact CE2-CD1 3.36Å; F1516-I1528 HydrophobicContact CG-CD1 3.39Å; F1516-I1528 HydrophobicContact CZ-CD1 3.7Å; F1518-I1528 HydrophobicContact CE1-CG2 4.21Å; F1518-I1528 HydrophobicContact CZ-CG2 3.89Å |
| 1529 | Q | 94.1 | Very high | 90.5 | Very high | 104 Ų | 104 | 37.1 Ų | 37.1 | 49% | 0.486 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 125.4 | 177.6 | -171.7 | 179.6 | 22 | 0 | 0 | 109.5 | I1453 M1454 Y1495 | I1453-Q1529 HydrophobicContact CG2-CG 3.83Å; M1454-Q1529 WeakPolarHBondContact O-CA 3.24Å; Y1495-Q1529 PolarHBondContact OH-N 2.96Å |
| 1530 | F | 93.4 | Very high | 90.6 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 156.9 | 175.7 | 69.9 | -89.6 | 0 | 0 | 0 | 111.2 | M1454 I1479 L1481 V1487 L1492 V1514 F1516 A1532 | M1454-F1530 HydrophobicContact CB-CD1 4.1Å; M1454-F1530 HydrophobicContact CB-CD2 4.35Å; M1454-F1530 HydrophobicContact CB-CE1 3.63Å; M1454-F1530 HydrophobicContact CB-CE2 3.88Å; M1454-F1530 HydrophobicContact CB-CG 4.46Å; M1454-F1530 HydrophobicContact CB-CZ 3.51Å; M1454-F1530 HydrophobicContact CG-CD1 4.35Å; M1454-F1530 HydrophobicContact CG-CE1 3.54Å; M1454-F1530 HydrophobicContact CG-CE2 4.46Å; M1454-F1530 HydrophobicContact CG-CZ 3.61Å; M1454-F1530 PolarHBondContact N-O 2.87Å; M1454-F1530 PolarHBondContact O-N 2.96Å; I1479-F1530 HydrophobicContact CD1-CE1 3.78Å; I1479-F1530 HydrophobicContact CD1-CZ 4.46Å; I1479-F1530 HydrophobicContact CG2-CZ 4.28Å; L1481-F1530 HydrophobicContact CD2-CE2 3.93Å; L1481-F1530 HydrophobicContact CD2-CZ 4.19Å; V1487-F1530 HydrophobicContact CG1-CD2 4.26Å; V1487-F1530 HydrophobicContact CG2-CD2 3.83Å; V1487-F1530 HydrophobicContact CG2-CE2 3.75Å; L1492-F1530 HydrophobicContact CD2-CB 4.17Å; V1514-F1530 HydrophobicContact CB-CZ 4.24Å; V1514-F1530 HydrophobicContact CG2-CE2 3.95Å; V1514-F1530 HydrophobicContact CG2-CZ 3.93Å; F1516-F1530 AromaticContact CE2-CD1 3.8Å; F1516-F1530 HydrophobicContact CE2-CD1 3.8Å; F1516-F1530 AromaticContact CE2-CE1 3.69Å; F1516-F1530 HydrophobicContact CE2-CE1 3.69Å; F1516-F1530 HydrophobicContact CZ-CB 4.48Å; F1516-F1530 AromaticContact CZ-CD1 3.47Å; F1516-F1530 HydrophobicContact CZ-CD1 3.47Å; F1516-F1530 VanDerWaalsContact CZ-CD1 3.47Å; F1516-F1530 AromaticContact CZ-CE1 3.88Å; F1516-F1530 HydrophobicContact CZ-CE1 3.88Å; F1516-F1530 HydrophobicContact CZ-CG 4.11Å; F1530-A1532 HydrophobicContact CE2-CB 4.44Å |
| 1531 | T | 91.3 | Very high | 90.6 | Very high | 69 Ų | 69 | 35.7 Ų | 35.7 | 42% | 0.423 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 132 | -179.3 | 55.3 | 0 | 0 | 0 | 0 | 110.3 | M1452 I1453 | M1452-T1531 CarbonylContact O-C 3.23Å; M1452-T1531 WeakPolarHBondContact O-CA 3.24Å; I1453-T1531 HydrophobicContact CG1-CG2 4.24Å |
| 1532 | A | 91.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 135.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | M1452 L1481 F1485 I1486 V1487 F1530 | M1452-A1532 HydrophobicContact CB-CB 4.4Å; M1452-A1532 HydrophobicContact CE-CB 3.77Å; M1452-A1532 PolarHBondContact N-O 2.86Å; M1452-A1532 PolarHBondContact O-N 2.76Å; L1481-A1532 HydrophobicContact CD2-CB 4.34Å; F1485-A1532 HydrophobicContact CB-CB 4.24Å; F1485-A1532 HydrophobicContact CD1-CB 4.25Å; I1486-A1532 WeakPolarHBondContact O-CA 3.34Å; V1487-A1532 HydrophobicContact CG2-CB 3.51Å; F1530-A1532 HydrophobicContact CE2-CB 4.44Å |
| 1533 | E | 86.8 | Confident | 90.2 | Very high | 36 Ų | 36 | 37.9 Ų | 37.9 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 134.9 | -173.3 | -65.6 | 178 | -173.7 | 0 | 0 | 111 | T340 F1485 I1486 Y1535 | T340-E1533 WeakPolarHBondContact CG2-OE1 3.18Å; T340-E1533 VanDerWaalsContact CG2-OE2 3.23Å; T340-E1533 WeakPolarHBondContact CG2-OE2 3.41Å; F1485-E1533 CarbonylContact C-O 3.48Å; F1485-E1533 VanDerWaalsContact CA-O 3.31Å; F1485-E1533 WeakPolarHBondContact CA-O 2.98Å; I1486-E1533 PolarHBondContact N-O 2.8Å; I1486-E1533 PolarHBondContact O-N 2.99Å; E1533-Y1535 PolarHBondContact O-N 3.32Å |
| 1534 | R | 87.7 | Confident | 90.1 | Very high | 38 Ų | 38 | 37.3 Ų | 37.3 | 14% | 0.143 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 95.7 | 177.1 | -172.8 | -178 | 63.5 | -162.1 | -6.1 | 110 | N1448 S1450 G1484 F1485 Y1536 | N1448-R1534 PolarHBondContact O-NH1 3.08Å; N1448-R1534 PolarHBondContact O-NH2 2.61Å; S1450-R1534 WeakPolarHBondContact O-CB 3.41Å; S1450-R1534 PolarHBondContact O-N 2.93Å; G1484-R1534 CarbonylContact O-C 3.48Å; G1484-R1534 WeakPolarHBondContact O-CA 3.33Å; F1485-R1534 HydrophobicContact CD1-CB 4.18Å; F1485-R1534 HydrophobicContact CD2-CB 4.38Å; F1485-R1534 HydrophobicContact CE1-CB 3.87Å; F1485-R1534 HydrophobicContact CE2-CB 4.08Å; F1485-R1534 HydrophobicContact CE2-CG 4.2Å; F1485-R1534 HydrophobicContact CG-CB 4.44Å; F1485-R1534 HydrophobicContact CZ-CB 3.82Å; F1485-R1534 HydrophobicContact CZ-CG 4.37Å; R1534-Y1536 VanDerWaalsContact CG-O 3.31Å; R1534-Y1536 WeakPolarHBondContact CG-O 3.47Å |
| 1535 | Y | 86.4 | Confident | 90.1 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | trans | -83.2 | -52.3 | 173.8 | -171.1 | -118 | 0 | 0 | 0 | 110.8 | L231 Y257 T258 E809 R823 G1484 I1486 E1533 | L231-Y1535 HydrophobicContact CB-CD2 4.17Å; L231-Y1535 HydrophobicContact CB-CE2 3.92Å; L231-Y1535 HydrophobicContact CD1-CD2 3.87Å; L231-Y1535 HydrophobicContact CD1-CE2 4.47Å; L231-Y1535 HydrophobicContact CD1-CG 4.37Å; L231-Y1535 HydrophobicContact CD2-CD1 4.05Å; L231-Y1535 HydrophobicContact CD2-CD2 3.73Å; L231-Y1535 HydrophobicContact CD2-CE1 4.26Å; L231-Y1535 HydrophobicContact CD2-CE2 3.98Å; L231-Y1535 HydrophobicContact CD2-CG 3.77Å; L231-Y1535 HydrophobicContact CG-CD2 4.12Å; L231-Y1535 HydrophobicContact CG-CE2 4.33Å; Y257-Y1535 HydrophobicContact CD1-CE2 4.27Å; T258-Y1535 PolarHBondContact OG1-OH 3.12Å; E809-Y1535 PolarHBondContact OE1-OH 3.14Å; R823-Y1535 PolarHBondContact NH1-O 3.05Å; R823-Y1535 PolarHBondContact NH2-OH 3.41Å; G1484-Y1535 PolarHBondContact O-N 3.33Å; I1486-Y1535 HydrophobicContact CD1-CD1 3.71Å; I1486-Y1535 HydrophobicContact CD1-CG 3.95Å; E1533-Y1535 PolarHBondContact O-N 3.32Å | ||
| 1536 | Y | 89.2 | Confident | 90 | Very high | 46 Ų | 46 | 28.8 Ų | 28.8 | 18% | 0.18 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -84.1 | 130.9 | 177.8 | -58 | -74.4 | 0 | 0 | 0 | 110.7 | E809 L810 P811 G1484 I1486 R1534 V1538 | E809-Y1536 HydrophobicContact CB-CE1 4.2Å; L810-Y1536 VanDerWaalsContact C-CD1 3.45Å; L810-Y1536 WeakPolarHBondContact O-CE1 3.44Å; P811-Y1536 HydrophobicContact CB-CD2 3.99Å; P811-Y1536 HydrophobicContact CB-CE2 4.42Å; P811-Y1536 HydrophobicContact CB-CG 4.14Å; P811-Y1536 HydrophobicContact CG-CG 4.45Å; G1484-Y1536 PolarHBondContact O-N 2.98Å; I1486-Y1536 HydrophobicContact CD1-CD2 4.17Å; I1486-Y1536 HydrophobicContact CD1-CE2 3.73Å; R1534-Y1536 VanDerWaalsContact CG-O 3.31Å; R1534-Y1536 WeakPolarHBondContact CG-O 3.47Å; Y1536-V1538 PolarHBondContact O-N 3.42Å |
| 1537 | P | 88.4 | Confident | 90 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 5% | 0.052 | 14% | 0.137 | C | C | . | . | trans | -78.6 | 91.2 | -177.2 | 30.4 | -32.5 | 0 | 0 | 0 | 109.8 | G821 R823 Y885 V1576 C1577 | G821-P1537 WeakPolarHBondContact CA-O 3.16Å; G821-P1537 PolarHBondContact N-O 3.07Å; G821-P1537 WeakPolarHBondContact O-CD 3.37Å; G821-P1537 WeakPolarHBondContact O-CG 3.31Å; R823-P1537 HydrophobicContact CG-CG 3.87Å; Y885-P1537 HydrophobicContact CD1-CG 4.11Å; Y885-P1537 HydrophobicContact CE1-CG 4.12Å; P1537-V1576 HydrophobicContact CB-CG1 3.53Å; P1537-C1577 HydrophobicContact CB-CB 4.13Å | ||
| 1538 | V | 90.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 134.4 | 176.1 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | P811 E818 Q819 T1483 Y1536 I1541 | P811-V1538 HydrophobicContact CG-CG2 4.4Å; E818-V1538 HydrophobicContact CB-CG1 3.87Å; E818-V1538 HydrophobicContact CG-CG1 4.39Å; Q819-V1538 CarbonylContact O-C 3.38Å; Q819-V1538 WeakPolarHBondContact O-CA 3.49Å; T1483-V1538 HydrophobicContact CG2-CG2 4.13Å; Y1536-V1538 PolarHBondContact O-N 3.42Å; V1538-I1541 HydrophobicContact CB-CD1 4.26Å; V1538-I1541 HydrophobicContact CB-CG1 4.18Å; V1538-I1541 HydrophobicContact CG1-CD1 4.42Å; V1538-I1541 HydrophobicContact CG1-CG1 3.8Å |
| 1539 | A | 88.8 | Confident | 89.9 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 166.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q819 I1541 N1571 N1572 I1573 V1576 | Q819-A1539 HydrophobicContact CB-CB 4.15Å; Q819-A1539 PolarHBondContact N-O 3.13Å; Q819-A1539 PolarHBondContact O-N 3.33Å; A1539-I1541 PolarHBondContact O-N 3.07Å; A1539-N1571 WeakPolarHBondContact CB-O 3.32Å; A1539-N1572 VanDerWaalsContact CB-C 3.46Å; A1539-N1572 WeakPolarHBondContact CB-O 3.35Å; A1539-I1573 HydrophobicContact CB-CB 4.4Å; A1539-I1573 HydrophobicContact CB-CD1 4.09Å; A1539-V1576 HydrophobicContact CB-CG2 4.04Å |
| 1540 | N | 88.8 | Confident | 89.8 | Confident | 19 Ų | 19 | 20.7 Ų | 20.7 | 10% | 0.102 | 10% | 0.097 | C | C | . | . | S | Bend | trans | 52.6 | 41.2 | -172.4 | -165.6 | 39.9 | 0 | 0 | 0 | 112.9 | G817 Q819 A859 Y1569 N1571 | G817-N1540 PolarHBondContact O-ND2 3.14Å; Q819-N1540 HydrophobicContact CG-CB 4.16Å; A859-N1540 PolarHBondContact O-ND2 2.84Å; N1540-Y1569 WeakPolarHBondContact OD1-CE2 3.25Å; N1540-N1571 PolarHBondContact N-O 2.89Å |
| 1541 | I | 88.9 | Confident | 89.7 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | trans | -62.8 | 143 | -176.9 | -70.3 | 177 | 0 | 0 | 0 | 110.4 | E818 P1482 F1485 V1538 A1539 Q1543 V1565 L1568 Y1569 | E818-I1541 WeakPolarHBondContact OE1-CA 3.4Å; P1482-I1541 HydrophobicContact CB-CD1 4.5Å; P1482-I1541 HydrophobicContact CB-CG2 3.75Å; F1485-I1541 HydrophobicContact CE2-CD1 4.09Å; V1538-I1541 HydrophobicContact CB-CD1 4.26Å; V1538-I1541 HydrophobicContact CB-CG1 4.18Å; V1538-I1541 HydrophobicContact CG1-CD1 4.42Å; V1538-I1541 HydrophobicContact CG1-CG1 3.8Å; A1539-I1541 PolarHBondContact O-N 3.07Å; I1541-Q1543 PolarHBondContact O-N 3.23Å; I1541-V1565 HydrophobicContact CG2-CG2 4.41Å; I1541-L1568 HydrophobicContact CB-CB 4.08Å; I1541-L1568 HydrophobicContact CD1-CB 4.14Å; I1541-L1568 HydrophobicContact CD1-CD1 4.15Å; I1541-L1568 HydrophobicContact CG2-CB 4.39Å; I1541-Y1569 WeakPolarHBondContact O-CA 3.39Å; I1541-Y1569 WeakPolarHBondContact O-CB 3.34Å; I1541-Y1569 WeakPolarHBondContact O-CD2 3.14Å | ||
| 1542 | T | 86.4 | Confident | 89.7 | Confident | 13 Ų | 13 | 17 Ų | 17 | 8% | 0.08 | 8% | 0.075 | C | C | . | . | trans | -52.7 | 133.3 | 176.7 | 46.9 | 0 | 0 | 0 | 0 | 113.3 | V815 E818 N920 Q1544 H1545 V1565 | V815-T1542 HydrophobicContact CB-CG2 3.93Å; V815-T1542 HydrophobicContact CG1-CG2 3.29Å; E818-T1542 PolarHBondContact OE1-N 2.77Å; E818-T1542 VanDerWaalsContact OE1-N 3.1Å; N920-T1542 HydrophobicContact CB-CG2 3.89Å; T1542-Q1544 PolarHBondContact O-N 3.05Å; T1542-H1545 PolarHBondContact O-NE2 2.94Å; T1542-H1545 VanDerWaalsContact O-NE2 3.14Å; T1542-H1545 PolarHBondContact OG1-CE1 3.42Å; T1542-V1565 VanDerWaalsContact O-CG2 3.32Å; T1542-V1565 WeakPolarHBondContact O-CG2 3.23Å | ||
| 1543 | Q | 85.8 | Confident | 89.5 | Confident | 66 Ų | 66 | 17.2 Ų | 17.2 | 31% | 0.308 | 8% | 0.077 | S | C | . | . | S | Bend | trans | -68.9 | -35.9 | -171.5 | -176.1 | 177.1 | 4.1 | 0 | 0 | 113.2 | I1541 N1564 V1565 Y1569 | I1541-Q1543 PolarHBondContact O-N 3.23Å; Q1543-N1564 WeakPolarHBondContact CG-OD1 3.28Å; Q1543-N1564 PolarHBondContact NE2-ND2 3.18Å; Q1543-N1564 VanDerWaalsContact NE2-ND2 3.15Å; Q1543-N1564 PolarHBondContact NE2-OD1 3.43Å; Q1543-N1564 CarbonylContact O-C 3.58Å; Q1543-N1564 VanDerWaalsContact O-CA 3.3Å; Q1543-N1564 WeakPolarHBondContact O-CA 3.23Å; Q1543-N1564 PolarHBondContact O-OD1 3.42Å; Q1543-V1565 PolarHBondContact O-N 3.15Å; Q1543-Y1569 HydrophobicContact CB-CD1 4.32Å; Q1543-Y1569 HydrophobicContact CB-CG 4.31Å |
| 1544 | Q | 87.8 | Confident | 89.6 | Confident | 43 Ų | 43 | 15.9 Ų | 15.9 | 20% | 0.201 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 129.4 | -167.3 | -60.9 | -73.1 | -10.2 | 0 | 0 | 110.6 | E1415 T1542 L1562 | E1415-Q1544 WeakPolarHBondContact O-CG 3.31Å; T1542-Q1544 PolarHBondContact O-N 3.05Å; Q1544-L1562 HydrophobicContact CB-CD2 4.45Å |
| 1545 | H | 90.5 | Very high | 89.6 | Confident | 15 Ų | 15 | 14.8 Ų | 14.8 | 7% | 0.069 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 149.8 | 178.6 | -63.1 | -73 | 0 | 0 | 0 | 111.2 | T1542 L1562 Y1563 V1565 | T1542-H1545 PolarHBondContact O-NE2 2.94Å; T1542-H1545 VanDerWaalsContact O-NE2 3.14Å; T1542-H1545 PolarHBondContact OG1-CE1 3.42Å; H1545-L1562 WeakPolarHBondContact O-CA 3.5Å; H1545-L1562 WeakPolarHBondContact O-CD2 3.47Å; H1545-Y1563 HydrophobicContact CB-CD1 3.97Å; H1545-Y1563 HydrophobicContact CB-CD2 4.42Å; H1545-Y1563 HydrophobicContact CB-CE1 3.32Å; H1545-Y1563 HydrophobicContact CB-CE2 3.84Å; H1545-Y1563 HydrophobicContact CB-CG 4.47Å; H1545-Y1563 VanDerWaalsContact CB-OH 3.23Å; H1545-Y1563 WeakPolarHBondContact CB-OH 3.46Å; H1545-Y1563 AromaticContact CD2-CE2 3.71Å; H1545-Y1563 AromaticContact CD2-CZ 3.79Å; H1545-Y1563 AromaticContact CG-CZ 3.72Å; H1545-Y1563 PolarHBondContact N-O 2.74Å; H1545-Y1563 PolarHBondContact O-N 3.09Å; H1545-Y1563 VanDerWaalsContact O-N 3.07Å; H1545-V1565 VanDerWaalsContact NE2-CG2 3.31Å; H1545-V1565 WeakPolarHBondContact NE2-CG2 3.28Å |
| 1546 | R | 90.7 | Very high | 89.6 | Confident | 47 Ų | 47 | 14.5 Ų | 14.5 | 18% | 0.177 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 136 | -179.3 | -169.5 | -177.8 | -174 | -165.9 | 6.9 | 110.8 | V922 E1478 G1480 N1560 | V922-R1546 HydrophobicContact CG1-CB 4.07Å; V922-R1546 HydrophobicContact CG1-CG 4.1Å; V922-R1546 HydrophobicContact CG2-CB 3.98Å; E1478-R1546 IonicContact OE1-CZ 2.68Å; E1478-R1546 IonicContact OE1-NE 2.97Å; E1478-R1546 IonicContact OE1-NH1 3.75Å; E1478-R1546 PolarHBondContact OE1-NH1 3.3Å; E1478-R1546 IonicContact OE2-NH1 2.74Å; G1480-R1546 PolarHBondContact N-O 2.82Å; R1546-N1560 PolarHBondContact NE-OD1 2.82Å; R1546-N1560 PolarHBondContact NH2-OD1 3.06Å |
| 1547 | C | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 105.5 | 166.8 | 166.4 | 0 | 0 | 0 | 0 | 107.8 | I1438 C1440 E1478 S1561 Y1563 | I1438-C1547 VanDerWaalsContact CD1-SG 3.55Å; C1440-C1547 HydrophobicContact CB-CB 3.63Å; C1440-C1547 WeakPolarHBondContact CB-SG 3.16Å; C1440-C1547 WeakPolarHBondContact SG-CB 3.34Å; C1440-C1547 CovalentContact SG-SG 2.03Å; C1440-C1547 PolarHBondContact SG-SG 3.39Å; E1478-C1547 WeakPolarHBondContact O-CA 3.37Å; C1547-S1561 VanDerWaalsContact CB-OG 3.28Å; C1547-S1561 WeakPolarHBondContact CB-OG 3.37Å; C1547-S1561 PolarHBondContact N-O 2.79Å; C1547-S1561 CarbonylContact O-C 3.51Å; C1547-S1561 WeakPolarHBondContact O-CA 3.49Å; C1547-S1561 WeakPolarHBondContact O-CB 3.46Å; C1547-S1561 PolarHBondContact O-N 3.25Å; C1547-S1561 VanDerWaalsContact O-O 3.07Å; C1547-S1561 PolarHBondContact O-OG 3.27Å; C1547-S1561 PolarHBondContact SG-OG 3.03Å; C1547-Y1563 HydrophobicContact CB-CD1 3.95Å |
| 1548 | S | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 143.2 | -171.6 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | F1477 E1478 N1559 N1560 | F1477-S1548 WeakPolarHBondContact CA-O 3.48Å; E1478-S1548 PolarHBondContact N-O 2.92Å; E1478-S1548 PolarHBondContact O-N 2.87Å; S1548-N1559 WeakPolarHBondContact CA-O 3.48Å; S1548-N1559 PolarHBondContact OG-O 3.05Å; S1548-N1560 WeakPolarHBondContact CB-OD1 3.4Å; S1548-N1560 PolarHBondContact OG-OD1 3.25Å; S1548-N1560 VanDerWaalsContact OG-OD1 3.05Å |
| 1549 | A | 94.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | F1436 I1438 V1476 F1477 Y1558 N1559 | F1436-A1549 HydrophobicContact CB-CB 3.74Å; F1436-A1549 HydrophobicContact CD1-CB 4.19Å; F1436-A1549 HydrophobicContact CD2-CB 4.49Å; F1436-A1549 HydrophobicContact CG-CB 3.9Å; I1438-A1549 HydrophobicContact CB-CB 3.88Å; I1438-A1549 HydrophobicContact CD1-CB 3.92Å; I1438-A1549 HydrophobicContact CG1-CB 4.42Å; I1438-A1549 HydrophobicContact CG2-CB 4.01Å; V1476-A1549 WeakPolarHBondContact O-CA 3.23Å; F1477-A1549 HydrophobicContact CD1-CB 3.62Å; F1477-A1549 HydrophobicContact CE1-CB 3.68Å; A1549-Y1558 CarbonylContact O-C 3.52Å; A1549-Y1558 WeakPolarHBondContact O-CA 3.39Å; A1549-N1559 PolarHBondContact N-O 3.19Å; A1549-N1559 VanDerWaalsContact N-O 3.08Å; A1549-N1559 PolarHBondContact O-N 3.33Å |
| 1550 | Y | 92.3 | Very high | 89.7 | Confident | 10 Ų | 10 | 14.7 Ų | 14.7 | 4% | 0.039 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 157.3 | 176.6 | 58.2 | -90.4 | 0 | 0 | 0 | 112.2 | L998 P999 A1475 V1476 E1478 Y1552 R1557 | L998-Y1550 HydrophobicContact CD2-CE2 3.78Å; P999-Y1550 WeakPolarHBondContact CD-OH 3.43Å; P999-Y1550 WeakPolarHBondContact CG-OH 3.44Å; A1475-Y1550 WeakPolarHBondContact CA-O 3.47Å; V1476-Y1550 HydrophobicContact CB-CD2 4.38Å; V1476-Y1550 HydrophobicContact CB-CE1 4.21Å; V1476-Y1550 HydrophobicContact CB-CE2 3.81Å; V1476-Y1550 HydrophobicContact CG1-CE1 4.32Å; V1476-Y1550 HydrophobicContact CG1-CE2 4.45Å; V1476-Y1550 HydrophobicContact CG2-CE2 4.1Å; V1476-Y1550 PolarHBondContact N-O 3.1Å; V1476-Y1550 PolarHBondContact O-N 3.23Å; V1476-Y1550 VanDerWaalsContact O-N 3.12Å; E1478-Y1550 HydrophobicContact CB-CE1 4.21Å; Y1550-Y1552 HydrophobicContact CE2-CD2 4.46Å; Y1550-R1557 VanDerWaalsContact CA-O 3.31Å; Y1550-R1557 WeakPolarHBondContact CA-O 3.42Å |
| 1551 | E | 91.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.009 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 126.8 | 170.7 | -173.8 | 167 | -166.6 | 0 | 0 | 109.1 | R1142 F1436 G1473 Y1553 E1554 P1555 R1557 | R1142-E1551 WeakPolarHBondContact CD-OE1 3.12Å; R1142-E1551 IonicContact NH1-OE1 3.89Å; R1142-E1551 IonicContact NH1-OE2 3.71Å; R1142-E1551 PolarHBondContact NH1-OE2 2.8Å; R1142-E1551 VanDerWaalsContact NH1-OE2 3.07Å; F1436-E1551 HydrophobicContact CE2-CB 4.02Å; F1436-E1551 VanDerWaalsContact CE2-N 3.33Å; F1436-E1551 HydrophobicContact CZ-CB 4.17Å; G1473-E1551 VanDerWaalsContact CA-OE1 3.31Å; G1473-E1551 WeakPolarHBondContact CA-OE1 3.3Å; G1473-E1551 PolarHBondContact N-OE1 3.12Å; E1551-Y1553 PolarHBondContact O-N 2.87Å; E1551-E1554 CarbonylContact O-C 3.52Å; E1551-E1554 VanDerWaalsContact O-C 3.23Å; E1551-E1554 PolarHBondContact O-N 2.83Å; E1551-P1555 WeakPolarHBondContact O-CA 3.43Å; E1551-R1557 HydrophobicContact CB-CB 4.12Å; E1551-R1557 PolarHBondContact N-O 2.87Å; E1551-R1557 IonicContact OE1-NH1 3.74Å; E1551-R1557 WeakPolarHBondContact OE2-CD 3.44Å; E1551-R1557 IonicContact OE2-CZ 2.78Å; E1551-R1557 IonicContact OE2-NE 3.81Å; E1551-R1557 IonicContact OE2-NH1 3.86Å; E1551-R1557 PolarHBondContact OE2-NH1 2.89Å |
| 1552 | Y | 90.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -44.7 | -169.9 | -171.2 | -98.2 | 0 | 0 | 0 | 112.9 | L998 P999 N1005 T1329 M1474 V1476 F1517 Y1550 E1554 | L998-Y1552 HydrophobicContact CB-CE2 4.14Å; L998-Y1552 HydrophobicContact CD1-CE2 4.32Å; P999-Y1552 WeakPolarHBondContact O-CE2 3.39Å; P999-Y1552 PolarHBondContact O-OH 2.98Å; P999-Y1552 VanDerWaalsContact O-OH 3.11Å; N1005-Y1552 PolarHBondContact ND2-OH 2.84Å; N1005-Y1552 WeakPolarHBondContact OD1-CE1 3.44Å; N1005-Y1552 PolarHBondContact OD1-OH 3.13Å; T1329-Y1552 HydrophobicContact CG2-CE1 3.74Å; T1329-Y1552 WeakPolarHBondContact CG2-OH 3.09Å; M1474-Y1552 HydrophobicContact CE-CD1 3.27Å; M1474-Y1552 HydrophobicContact CE-CD2 4Å; M1474-Y1552 HydrophobicContact CE-CE1 3.98Å; M1474-Y1552 HydrophobicContact CE-CG 3.29Å; M1474-Y1552 WeakPolarHBondContact O-CB 3.47Å; M1474-Y1552 PolarHBondContact O-N 2.89Å; V1476-Y1552 HydrophobicContact CG2-CD2 3.91Å; F1517-Y1552 HydrophobicContact CE1-CD2 4.42Å; F1517-Y1552 HydrophobicContact CE1-CE2 4.42Å; Y1550-Y1552 HydrophobicContact CE2-CD2 4.46Å; Y1552-E1554 VanDerWaalsContact C-N 3.29Å; Y1552-E1554 PolarHBondContact O-N 2.9Å |
| 1553 | Y | 89 | Confident | 90 | Very high | 6 Ų | 6 | 15.7 Ų | 15.7 | 2% | 0.024 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -12.3 | -175.8 | -67.6 | -64.7 | 0 | 0 | 0 | 114.5 | E1004 I1140 D1141 S1328 M1474 E1551 | E1004-Y1553 WeakPolarHBondContact OE2-CE1 3.19Å; E1004-Y1553 PolarHBondContact OE2-OH 3Å; I1140-Y1553 HydrophobicContact CG2-CE2 3.6Å; I1140-Y1553 WeakPolarHBondContact CG2-OH 3.37Å; I1140-Y1553 VanDerWaalsContact O-CE2 3.32Å; I1140-Y1553 WeakPolarHBondContact O-CE2 3.38Å; D1141-Y1553 HydrophobicContact CB-CD1 4.38Å; D1141-Y1553 HydrophobicContact CB-CD2 3.62Å; D1141-Y1553 HydrophobicContact CB-CE2 3.8Å; D1141-Y1553 HydrophobicContact CB-CG 3.95Å; S1328-Y1553 WeakPolarHBondContact CB-O 3.37Å; S1328-Y1553 WeakPolarHBondContact OG-CA 3.37Å; S1328-Y1553 WeakPolarHBondContact OG-CD1 3.44Å; M1474-Y1553 HydrophobicContact CB-CD2 4.37Å; M1474-Y1553 HydrophobicContact CB-CE2 4Å; M1474-Y1553 HydrophobicContact CE-CE2 3.98Å; E1551-Y1553 PolarHBondContact O-N 2.87Å |
| 1554 | E | 88.5 | Confident | 90.2 | Very high | 7 Ų | 7 | 15.8 Ų | 15.8 | 3% | 0.033 | 8% | 0.077 | C | C | . | . | trans | -144.7 | 70.7 | -179.1 | -164.1 | 63.3 | -123.4 | 0 | 0 | 108.4 | N1281 D1282 G1283 Y1284 E1551 Y1552 G1556 R1557 | N1281-E1554 VanDerWaalsContact C-OE1 3.29Å; N1281-E1554 VanDerWaalsContact CA-CD 3.47Å; N1281-E1554 WeakPolarHBondContact CA-OE1 3.4Å; N1281-E1554 VanDerWaalsContact N-CD 3.29Å; N1281-E1554 PolarHBondContact N-OE1 3.14Å; D1282-E1554 PolarHBondContact N-OE1 3.16Å; G1283-E1554 PolarHBondContact N-OE1 2.73Å; G1283-E1554 PolarHBondContact N-OE2 2.84Å; Y1284-E1554 PolarHBondContact N-OE2 3.49Å; E1551-E1554 CarbonylContact O-C 3.52Å; E1551-E1554 VanDerWaalsContact O-C 3.23Å; E1551-E1554 PolarHBondContact O-N 2.83Å; Y1552-E1554 VanDerWaalsContact C-N 3.29Å; Y1552-E1554 PolarHBondContact O-N 2.9Å; E1554-G1556 PolarHBondContact O-N 3.11Å; E1554-R1557 HydrophobicContact CB-CG 4.47Å; E1554-R1557 HydrophobicContact CG-CG 4.13Å; E1554-R1557 WeakPolarHBondContact O-CB 3.21Å; E1554-R1557 PolarHBondContact O-N 3.22Å | ||
| 1555 | P | 86.3 | Confident | 90.3 | Very high | 16 Ų | 16 | 13.8 Ų | 13.8 | 10% | 0.104 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -14 | -170.9 | 23.7 | -32.7 | 0 | 0 | 0 | 113.6 | A1327 E1551 R1557 Y1558 | A1327-P1555 HydrophobicContact CB-CG 4.33Å; A1327-P1555 WeakPolarHBondContact O-CG 3.24Å; E1551-P1555 WeakPolarHBondContact O-CA 3.43Å; P1555-R1557 PolarHBondContact O-N 2.78Å; P1555-R1557 VanDerWaalsContact O-N 3.17Å; P1555-Y1558 WeakPolarHBondContact O-CD1 3.45Å |
| 1556 | G | 87.3 | Confident | 90.2 | Very high | 5 Ų | 5 | 16.4 Ų | 16.4 | 5% | 0.052 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -18.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1554 Y1558 | E1554-G1556 PolarHBondContact O-N 3.11Å; G1556-Y1558 WeakPolarHBondContact O-CD1 3.03Å; G1556-Y1558 PolarHBondContact O-N 2.87Å |
| 1557 | R | 88.5 | Confident | 89.9 | Confident | 28 Ų | 28 | 16 Ų | 16 | 11% | 0.106 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -91.4 | 86.3 | 169.1 | -62.6 | 175.7 | 174.1 | 147.4 | 14.3 | 110.1 | P1280 F1436 E1467 Y1550 E1551 E1554 P1555 | P1280-R1557 HydrophobicContact CB-CG 4.06Å; F1436-R1557 WeakPolarHBondContact CE2-O 3.06Å; E1467-R1557 VanDerWaalsContact OE1-CD 3.32Å; E1467-R1557 WeakPolarHBondContact OE1-CD 3.4Å; E1467-R1557 VanDerWaalsContact OE1-CG 3.28Å; E1467-R1557 WeakPolarHBondContact OE1-CG 3.44Å; E1467-R1557 IonicContact OE1-CZ 3.76Å; E1467-R1557 IonicContact OE1-NE 2.99Å; E1467-R1557 PolarHBondContact OE1-NE 2.73Å; Y1550-R1557 VanDerWaalsContact CA-O 3.31Å; Y1550-R1557 WeakPolarHBondContact CA-O 3.42Å; E1551-R1557 HydrophobicContact CB-CB 4.12Å; E1551-R1557 PolarHBondContact N-O 2.87Å; E1551-R1557 IonicContact OE1-NH1 3.74Å; E1551-R1557 WeakPolarHBondContact OE2-CD 3.44Å; E1551-R1557 IonicContact OE2-CZ 2.78Å; E1551-R1557 IonicContact OE2-NE 3.81Å; E1551-R1557 IonicContact OE2-NH1 3.86Å; E1551-R1557 PolarHBondContact OE2-NH1 2.89Å; E1554-R1557 HydrophobicContact CB-CG 4.47Å; E1554-R1557 HydrophobicContact CG-CG 4.13Å; E1554-R1557 WeakPolarHBondContact O-CB 3.21Å; E1554-R1557 PolarHBondContact O-N 3.22Å; P1555-R1557 PolarHBondContact O-N 2.78Å; P1555-R1557 VanDerWaalsContact O-N 3.17Å |
| 1558 | Y | 91.2 | Very high | 89.7 | Confident | 8 Ų | 8 | 16 Ų | 16 | 3% | 0.031 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 171.2 | -179.2 | 71.6 | -83.4 | 0 | 0 | 0 | 112.4 | K1421 P1423 A1549 P1555 G1556 N1560 | K1421-Y1558 PolarHBondContact O-OH 3Å; K1421-Y1558 VanDerWaalsContact O-OH 3.06Å; P1423-Y1558 HydrophobicContact CB-CD1 4.25Å; P1423-Y1558 HydrophobicContact CB-CE1 3.94Å; P1423-Y1558 WeakPolarHBondContact CG-O 3.17Å; A1549-Y1558 CarbonylContact O-C 3.52Å; A1549-Y1558 WeakPolarHBondContact O-CA 3.39Å; P1555-Y1558 WeakPolarHBondContact O-CD1 3.45Å; G1556-Y1558 WeakPolarHBondContact O-CD1 3.03Å; G1556-Y1558 PolarHBondContact O-N 2.87Å; Y1558-N1560 HydrophobicContact CE2-CB 4.46Å; Y1558-N1560 WeakPolarHBondContact CE2-ND2 3.27Å |
| 1559 | N | 91.6 | Very high | 89.4 | Confident | 11 Ų | 11 | 19.2 Ų | 19.2 | 6% | 0.059 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 120.5 | 162.3 | -176.5 | 19 | 0 | 0 | 0 | 109.1 | F1436 S1548 A1549 | F1436-N1559 HydrophobicContact CB-CB 4.15Å; F1436-N1559 WeakPolarHBondContact O-CB 3.36Å; F1436-N1559 VanDerWaalsContact O-CG 3.31Å; F1436-N1559 PolarHBondContact O-ND2 3.01Å; S1548-N1559 WeakPolarHBondContact CA-O 3.48Å; S1548-N1559 PolarHBondContact OG-O 3.05Å; A1549-N1559 PolarHBondContact N-O 3.19Å; A1549-N1559 VanDerWaalsContact N-O 3.08Å; A1549-N1559 PolarHBondContact O-N 3.33Å |
| 1560 | N | 88.6 | Confident | 89 | Confident | 11 Ų | 11 | 23.1 Ų | 23.1 | 6% | 0.059 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 124.1 | 171.5 | -73.8 | -38.7 | 0 | 0 | 0 | 108.8 | K1421 R1546 S1548 Y1558 | K1421-N1560 PolarHBondContact O-ND2 2.95Å; R1546-N1560 PolarHBondContact NE-OD1 2.82Å; R1546-N1560 PolarHBondContact NH2-OD1 3.06Å; S1548-N1560 WeakPolarHBondContact CB-OD1 3.4Å; S1548-N1560 PolarHBondContact OG-OD1 3.25Å; S1548-N1560 VanDerWaalsContact OG-OD1 3.05Å; Y1558-N1560 HydrophobicContact CE2-CB 4.46Å; Y1558-N1560 WeakPolarHBondContact CE2-ND2 3.27Å |
| 1561 | S | 89.1 | Confident | 88.7 | Confident | 14 Ų | 14 | 23.2 Ų | 23.2 | 10% | 0.098 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 161.9 | 166.9 | 78.6 | 0 | 0 | 0 | 0 | 110.3 | C1547 | C1547-S1561 VanDerWaalsContact CB-OG 3.28Å; C1547-S1561 WeakPolarHBondContact CB-OG 3.37Å; C1547-S1561 PolarHBondContact N-O 2.79Å; C1547-S1561 CarbonylContact O-C 3.51Å; C1547-S1561 WeakPolarHBondContact O-CA 3.49Å; C1547-S1561 WeakPolarHBondContact O-CB 3.46Å; C1547-S1561 PolarHBondContact O-N 3.25Å; C1547-S1561 VanDerWaalsContact O-O 3.07Å; C1547-S1561 PolarHBondContact O-OG 3.27Å; C1547-S1561 PolarHBondContact SG-OG 3.03Å |
| 1562 | L | 89.9 | Confident | 88.3 | Confident | 34 Ų | 34 | 24.5 Ų | 24.5 | 18% | 0.178 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 139 | 172.5 | -71.4 | 171.8 | 0 | 0 | 0 | 108.5 | V922 K1417 Q1420 Q1544 H1545 | V922-L1562 HydrophobicContact CB-CD2 4.34Å; V922-L1562 HydrophobicContact CG2-CD2 3.41Å; V922-L1562 VanDerWaalsContact CG2-CD2 3.41Å; K1417-L1562 HydrophobicContact CB-CD1 4.3Å; Q1420-L1562 HydrophobicContact CG-CD1 4.24Å; Q1544-L1562 HydrophobicContact CB-CD2 4.45Å; H1545-L1562 WeakPolarHBondContact O-CA 3.5Å; H1545-L1562 WeakPolarHBondContact O-CD2 3.47Å |
| 1563 | Y | 91.4 | Very high | 88 | Confident | 6 Ų | 6 | 24.6 Ų | 24.6 | 2% | 0.024 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 147.5 | 164.7 | 76.1 | -92.2 | 0 | 0 | 0 | 109.7 | C1440 P1442 M1454 I1479 G1480 H1545 C1547 V1565 | C1440-Y1563 HydrophobicContact CB-CD1 3.97Å; C1440-Y1563 HydrophobicContact CB-CG 4.22Å; C1440-Y1563 VanDerWaalsContact O-CB 3.31Å; C1440-Y1563 WeakPolarHBondContact O-CB 3.37Å; P1442-Y1563 HydrophobicContact CB-CD2 4.45Å; P1442-Y1563 HydrophobicContact CG-CD2 3.88Å; P1442-Y1563 HydrophobicContact CG-CE2 4.42Å; M1454-Y1563 HydrophobicContact CE-CD1 4.43Å; M1454-Y1563 HydrophobicContact CE-CD2 4.08Å; M1454-Y1563 HydrophobicContact CE-CE1 4.03Å; M1454-Y1563 HydrophobicContact CE-CE2 3.66Å; M1454-Y1563 HydrophobicContact CE-CG 4.44Å; I1479-Y1563 HydrophobicContact CG2-CE1 4.28Å; G1480-Y1563 PolarHBondContact O-OH 3.06Å; H1545-Y1563 HydrophobicContact CB-CD1 3.97Å; H1545-Y1563 HydrophobicContact CB-CD2 4.42Å; H1545-Y1563 HydrophobicContact CB-CE1 3.32Å; H1545-Y1563 HydrophobicContact CB-CE2 3.84Å; H1545-Y1563 HydrophobicContact CB-CG 4.47Å; H1545-Y1563 VanDerWaalsContact CB-OH 3.23Å; H1545-Y1563 WeakPolarHBondContact CB-OH 3.46Å; H1545-Y1563 AromaticContact CD2-CE2 3.71Å; H1545-Y1563 AromaticContact CD2-CZ 3.79Å; H1545-Y1563 AromaticContact CG-CZ 3.72Å; H1545-Y1563 PolarHBondContact N-O 2.74Å; H1545-Y1563 PolarHBondContact O-N 3.09Å; H1545-Y1563 VanDerWaalsContact O-N 3.07Å; C1547-Y1563 HydrophobicContact CB-CD1 3.95Å; Y1563-V1565 HydrophobicContact CD2-CG1 3.88Å; Y1563-V1565 HydrophobicContact CE2-CG1 3.55Å |
| 1564 | N | 89.3 | Confident | 87.6 | Confident | 68 Ų | 68 | 24.6 Ų | 24.6 | 36% | 0.364 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.8 | -169.8 | 178.4 | -0.3 | 0 | 0 | 0 | 110.3 | Q1543 V1566 | Q1543-N1564 WeakPolarHBondContact CG-OD1 3.28Å; Q1543-N1564 PolarHBondContact NE2-ND2 3.18Å; Q1543-N1564 VanDerWaalsContact NE2-ND2 3.15Å; Q1543-N1564 PolarHBondContact NE2-OD1 3.43Å; Q1543-N1564 CarbonylContact O-C 3.58Å; Q1543-N1564 VanDerWaalsContact O-CA 3.3Å; Q1543-N1564 WeakPolarHBondContact O-CA 3.23Å; Q1543-N1564 PolarHBondContact O-OD1 3.42Å; N1564-V1566 WeakPolarHBondContact ND2-CG2 3.49Å; N1564-V1566 WeakPolarHBondContact OD1-CG2 3.18Å; N1564-V1566 PolarHBondContact OD1-N 2.59Å |
| 1565 | V | 89.1 | Confident | 87.1 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | trans | -118.7 | 53.5 | -179.9 | -63.6 | 0 | 0 | 0 | 0 | 112.7 | P1442 F1444 I1541 T1542 Q1543 H1545 Y1563 S1567 L1568 Y1569 | P1442-V1565 HydrophobicContact CB-CG1 4.48Å; P1442-V1565 HydrophobicContact CG-CG1 4.15Å; F1444-V1565 HydrophobicContact CE2-CG1 4.46Å; F1444-V1565 HydrophobicContact CZ-CB 4.17Å; F1444-V1565 HydrophobicContact CZ-CG1 3.83Å; I1541-V1565 HydrophobicContact CG2-CG2 4.41Å; T1542-V1565 VanDerWaalsContact O-CG2 3.32Å; T1542-V1565 WeakPolarHBondContact O-CG2 3.23Å; Q1543-V1565 PolarHBondContact O-N 3.15Å; H1545-V1565 VanDerWaalsContact NE2-CG2 3.31Å; H1545-V1565 WeakPolarHBondContact NE2-CG2 3.28Å; Y1563-V1565 HydrophobicContact CD2-CG1 3.88Å; Y1563-V1565 HydrophobicContact CE2-CG1 3.55Å; V1565-S1567 PolarHBondContact O-N 3.41Å; V1565-L1568 HydrophobicContact CB-CB 4.35Å; V1565-L1568 HydrophobicContact CB-CD1 4.06Å; V1565-L1568 HydrophobicContact CB-CG 4.28Å; V1565-L1568 HydrophobicContact CG1-CD1 4.45Å; V1565-L1568 HydrophobicContact CG2-CB 4.38Å; V1565-L1568 HydrophobicContact CG2-CD1 4.26Å; V1565-L1568 PolarHBondContact O-N 3.41Å; V1565-Y1569 PolarHBondContact O-N 2.83Å | ||
| 1566 | V | 88.1 | Confident | 86.8 | Confident | 71 Ų | 71 | 25.6 Ų | 25.6 | 43% | 0.43 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -46.7 | -41.4 | 178.9 | -173.9 | 0 | 0 | 0 | 0 | 112.8 | N1564 L1568 Y1569 T1570 | N1564-V1566 WeakPolarHBondContact ND2-CG2 3.49Å; N1564-V1566 WeakPolarHBondContact OD1-CG2 3.18Å; N1564-V1566 PolarHBondContact OD1-N 2.59Å; V1566-L1568 PolarHBondContact O-N 2.69Å; V1566-Y1569 WeakPolarHBondContact O-CB 3.42Å; V1566-Y1569 PolarHBondContact O-N 2.87Å; V1566-T1570 HydrophobicContact CG1-CG2 4.27Å; V1566-T1570 PolarHBondContact O-N 2.95Å; V1566-T1570 PolarHBondContact O-OG1 3.47Å |
| 1567 | S | 86.2 | Confident | 86.2 | Confident | 37 Ų | 37 | 25.5 Ų | 25.5 | 26% | 0.259 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -65.3 | -24 | -175.7 | 68.3 | 0 | 0 | 0 | 0 | 113.8 | F1444 N1449 V1565 T1570 N1571 | F1444-S1567 WeakPolarHBondContact CD2-OG 3.27Å; F1444-S1567 VanDerWaalsContact CE2-OG 3.22Å; F1444-S1567 WeakPolarHBondContact CE2-OG 3.12Å; N1449-S1567 VanDerWaalsContact ND2-CB 3.3Å; N1449-S1567 WeakPolarHBondContact ND2-CB 2.92Å; N1449-S1567 PolarHBondContact ND2-O 3.05Å; N1449-S1567 PolarHBondContact ND2-OG 3.18Å; V1565-S1567 PolarHBondContact O-N 3.41Å; S1567-T1570 PolarHBondContact O-OG1 3.17Å; S1567-N1571 PolarHBondContact O-ND2 2.8Å |
| 1568 | L | 88.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -88.3 | -36.2 | 174.8 | -63.2 | -177 | 0 | 0 | 0 | 111.6 | F1444 N1449 P1482 F1485 I1541 V1565 V1566 N1571 | F1444-L1568 HydrophobicContact CD1-CD2 4.37Å; F1444-L1568 HydrophobicContact CE1-CD1 3.71Å; F1444-L1568 HydrophobicContact CE1-CD2 4Å; F1444-L1568 HydrophobicContact CE1-CG 3.84Å; F1444-L1568 HydrophobicContact CZ-CD1 3.86Å; F1444-L1568 HydrophobicContact CZ-CD2 4.49Å; F1444-L1568 HydrophobicContact CZ-CG 3.89Å; N1449-L1568 HydrophobicContact CB-CD2 3.75Å; P1482-L1568 HydrophobicContact CB-CD1 4.07Å; P1482-L1568 HydrophobicContact CG-CD1 4Å; F1485-L1568 HydrophobicContact CD2-CD1 4.45Å; F1485-L1568 HydrophobicContact CE2-CD1 3.53Å; F1485-L1568 HydrophobicContact CE2-CD2 4.14Å; F1485-L1568 HydrophobicContact CE2-CG 4.49Å; F1485-L1568 HydrophobicContact CZ-CD1 3.78Å; F1485-L1568 HydrophobicContact CZ-CD2 3.86Å; F1485-L1568 HydrophobicContact CZ-CG 4.5Å; I1541-L1568 HydrophobicContact CB-CB 4.08Å; I1541-L1568 HydrophobicContact CD1-CB 4.14Å; I1541-L1568 HydrophobicContact CD1-CD1 4.15Å; I1541-L1568 HydrophobicContact CG2-CB 4.39Å; V1565-L1568 HydrophobicContact CB-CB 4.35Å; V1565-L1568 HydrophobicContact CB-CD1 4.06Å; V1565-L1568 HydrophobicContact CB-CG 4.28Å; V1565-L1568 HydrophobicContact CG1-CD1 4.45Å; V1565-L1568 HydrophobicContact CG2-CB 4.38Å; V1565-L1568 HydrophobicContact CG2-CD1 4.26Å; V1565-L1568 PolarHBondContact O-N 3.41Å; V1566-L1568 PolarHBondContact O-N 2.69Å; L1568-N1571 WeakPolarHBondContact O-CB 3.26Å; L1568-N1571 PolarHBondContact O-N 2.9Å |
| 1569 | Y | 86.1 | Confident | 83.4 | Confident | 68 Ų | 68 | 24.5 Ų | 24.5 | 27% | 0.267 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -64.1 | -37.7 | 178.1 | -179.9 | -129.8 | 0 | 0 | 0 | 112.6 | Y860 N1540 I1541 Q1543 V1565 V1566 N1571 | Y860-Y1569 HydrophobicContact CE1-CD2 4.43Å; Y860-Y1569 HydrophobicContact CE1-CE1 4.03Å; Y860-Y1569 AromaticContact CE1-CE2 3.55Å; Y860-Y1569 HydrophobicContact CE1-CE2 3.55Å; Y860-Y1569 AromaticContact CE1-CZ 3.3Å; Y860-Y1569 WeakPolarHBondContact CE1-OH 3.03Å; Y860-Y1569 AromaticContact CZ-CE1 3.78Å; Y860-Y1569 AromaticContact CZ-CZ 3.56Å; Y860-Y1569 VanDerWaalsContact OH-CD1 3.24Å; Y860-Y1569 WeakPolarHBondContact OH-CD1 3.47Å; Y860-Y1569 WeakPolarHBondContact OH-CE1 3.25Å; Y860-Y1569 PolarHBondContact OH-OH 2.78Å; N1540-Y1569 WeakPolarHBondContact OD1-CE2 3.25Å; I1541-Y1569 WeakPolarHBondContact O-CA 3.39Å; I1541-Y1569 WeakPolarHBondContact O-CB 3.34Å; I1541-Y1569 WeakPolarHBondContact O-CD2 3.14Å; Q1543-Y1569 HydrophobicContact CB-CD1 4.32Å; Q1543-Y1569 HydrophobicContact CB-CG 4.31Å; V1565-Y1569 PolarHBondContact O-N 2.83Å; V1566-Y1569 WeakPolarHBondContact O-CB 3.42Å; V1566-Y1569 PolarHBondContact O-N 2.87Å; Y1569-N1571 PolarHBondContact O-N 2.97Å |
| 1570 | T | 86.3 | Confident | 81.8 | Confident | 83 Ų | 83 | 27.6 Ų | 27.6 | 51% | 0.509 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -10.5 | 177.5 | 53.9 | 0 | 0 | 0 | 0 | 114.5 | V1566 S1567 N1572 | V1566-T1570 HydrophobicContact CG1-CG2 4.27Å; V1566-T1570 PolarHBondContact O-N 2.95Å; V1566-T1570 PolarHBondContact O-OG1 3.47Å; S1567-T1570 PolarHBondContact O-OG1 3.17Å; T1570-N1572 PolarHBondContact O-N 2.93Å |
| 1571 | N | 85.7 | Confident | 80.2 | Confident | 12 Ų | 12 | 30.3 Ų | 30.3 | 6% | 0.064 | 18% | 0.175 | C | C | . | . | trans | -71.7 | 130.2 | 179.2 | -73.9 | -32.4 | 0 | 0 | 0 | 110.6 | A1539 N1540 S1567 L1568 Y1569 N1575 V1576 | A1539-N1571 WeakPolarHBondContact CB-O 3.32Å; N1540-N1571 PolarHBondContact N-O 2.89Å; S1567-N1571 PolarHBondContact O-ND2 2.8Å; L1568-N1571 WeakPolarHBondContact O-CB 3.26Å; L1568-N1571 PolarHBondContact O-N 2.9Å; Y1569-N1571 PolarHBondContact O-N 2.97Å; N1571-N1575 HydrophobicContact CB-CB 4.32Å; N1571-N1575 PolarHBondContact OD1-ND2 2.79Å; N1571-V1576 HydrophobicContact CB-CG2 4Å | ||
| 1572 | N | 83.7 | Confident | 78.8 | Confident | 29 Ų | 29 | 29.8 Ų | 29.8 | 16% | 0.155 | 17% | 0.172 | C | C | . | . | trans | -86.2 | 170.7 | 164.9 | 69.1 | 14.9 | 0 | 0 | 0 | 110.2 | V857 A859 A1539 T1570 C1574 N1575 | V857-N1572 PolarHBondContact O-ND2 3.08Å; A859-N1572 HydrophobicContact CB-CB 4.45Å; A1539-N1572 VanDerWaalsContact CB-C 3.46Å; A1539-N1572 WeakPolarHBondContact CB-O 3.35Å; T1570-N1572 PolarHBondContact O-N 2.93Å; N1572-C1574 VanDerWaalsContact C-N 3.25Å; N1572-C1574 PolarHBondContact O-N 2.83Å; N1572-C1574 PolarHBondContact OD1-N 3.39Å; N1572-N1575 WeakPolarHBondContact O-CB 3.4Å; N1572-N1575 PolarHBondContact O-N 2.82Å; N1572-N1575 PolarHBondContact OD1-N 3.03Å; N1572-N1575 PolarHBondContact OD1-OD1 2.72Å | ||
| 1573 | I | 83.5 | Confident | 77.2 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.4 | -33.8 | -179.5 | -158.1 | 51.3 | 0 | 0 | 0 | 112.7 | Q819 I849 V857 P887 A1539 N1575 V1576 C1577 | Q819-I1573 HydrophobicContact CB-CD1 4.31Å; I849-I1573 HydrophobicContact CG2-CG2 4.23Å; V857-I1573 HydrophobicContact CB-CG2 4.27Å; V857-I1573 HydrophobicContact CG1-CG2 3.96Å; V857-I1573 HydrophobicContact CG2-CG2 4.19Å; P887-I1573 HydrophobicContact CB-CB 4.46Å; P887-I1573 HydrophobicContact CB-CD1 4.31Å; P887-I1573 HydrophobicContact CB-CG1 3.46Å; P887-I1573 VanDerWaalsContact CB-CG1 3.46Å; P887-I1573 HydrophobicContact CB-CG2 4.34Å; A1539-I1573 HydrophobicContact CB-CB 4.4Å; A1539-I1573 HydrophobicContact CB-CD1 4.09Å; I1573-N1575 VanDerWaalsContact C-N 3.28Å; I1573-N1575 PolarHBondContact O-N 3.4Å; I1573-V1576 PolarHBondContact O-N 2.93Å; I1573-C1577 HydrophobicContact CD1-CB 3.5Å; I1573-C1577 HydrophobicContact CG1-CB 3.75Å; I1573-C1577 WeakPolarHBondContact O-CA 3.38Å; I1573-C1577 WeakPolarHBondContact O-CB 3.23Å; I1573-C1577 PolarHBondContact O-N 2.99Å |
| 1574 | C | 80.5 | Confident | 75.6 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.034 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -27.9 | 178.8 | -68.1 | 0 | 0 | 0 | 0 | 114 | G855 V857 N1572 V1576 | G855-C1574 PolarHBondContact O-SG 2.76Å; V857-C1574 WeakPolarHBondContact CG2-SG 3.33Å; N1572-C1574 VanDerWaalsContact C-N 3.25Å; N1572-C1574 PolarHBondContact O-N 2.83Å; N1572-C1574 PolarHBondContact OD1-N 3.39Å; C1574-V1576 VanDerWaalsContact C-N 3.29Å |
| 1575 | N | 79.6 | Confident | 74.6 | Confident | 35 Ų | 35 | 36.6 Ų | 36.6 | 19% | 0.187 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.3 | -29.9 | 173.9 | -66.8 | -2.7 | 0 | 0 | 0 | 111.9 | N1448 N1571 N1572 I1573 | N1448-N1575 PolarHBondContact ND2-O 3.49Å; N1571-N1575 HydrophobicContact CB-CB 4.32Å; N1571-N1575 PolarHBondContact OD1-ND2 2.79Å; N1572-N1575 WeakPolarHBondContact O-CB 3.4Å; N1572-N1575 PolarHBondContact O-N 2.82Å; N1572-N1575 PolarHBondContact OD1-N 3.03Å; N1572-N1575 PolarHBondContact OD1-OD1 2.72Å; I1573-N1575 VanDerWaalsContact C-N 3.28Å; I1573-N1575 PolarHBondContact O-N 3.4Å |
| 1576 | V | 78.6 | Confident | 73.1 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 6% | 0.055 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -106.8 | -33.1 | -168.9 | -172 | 0 | 0 | 0 | 0 | 111.9 | P1537 A1539 N1571 I1573 C1574 | P1537-V1576 HydrophobicContact CB-CG1 3.53Å; A1539-V1576 HydrophobicContact CB-CG2 4.04Å; N1571-V1576 HydrophobicContact CB-CG2 4Å; I1573-V1576 PolarHBondContact O-N 2.93Å; C1574-V1576 VanDerWaalsContact C-N 3.29Å |
| 1577 | C | 74.6 | Confident | 71.8 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.02 | 22% | 0.219 | C | C | . | . | trans | -135.7 | 99.8 | -160 | -170.6 | 0 | 0 | 0 | 0 | 108.1 | G821 Y885 P1537 I1573 S1579 | G821-C1577 VanDerWaalsContact CA-SG 3.51Å; Y885-C1577 WeakPolarHBondContact CB-SG 3.23Å; P1537-C1577 HydrophobicContact CB-CB 4.13Å; I1573-C1577 HydrophobicContact CD1-CB 3.5Å; I1573-C1577 HydrophobicContact CG1-CB 3.75Å; I1573-C1577 WeakPolarHBondContact O-CA 3.38Å; I1573-C1577 WeakPolarHBondContact O-CB 3.23Å; I1573-C1577 PolarHBondContact O-N 2.99Å; C1577-S1579 PolarHBondContact O-N 2.9Å | ||
| 1578 | G | 62.6 | Low | 70.5 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 6% | 0.062 | 22% | 0.22 | C | C | . | . | trans | -77 | 100.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y885 Y1588 | Y885-G1578 WeakPolarHBondContact CB-O 3.36Å; Y885-G1578 WeakPolarHBondContact CD2-O 3.38Å; G1578-Y1588 VanDerWaalsContact CA-CD1 3.44Å; G1578-Y1588 VanDerWaalsContact CA-CG 3.48Å | ||
| 1579 | S | 58.7 | Low | 68.9 | Low | 10 Ų | 10 | 45 Ų | 45 | 7% | 0.07 | 24% | 0.239 | C | C | . | . | trans | -73.5 | 146.7 | 174.2 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | Y885 C1577 A1581 C1582 | Y885-S1579 PolarHBondContact O-OG 2.88Å; C1577-S1579 PolarHBondContact O-N 2.9Å; S1579-A1581 PolarHBondContact O-N 2.88Å; S1579-A1581 WeakPolarHBondContact OG-CB 3.35Å; S1579-A1581 PolarHBondContact OG-N 2.83Å; S1579-A1581 VanDerWaalsContact OG-N 3.11Å; S1579-C1582 CarbonylContact O-C 3.6Å; S1579-C1582 WeakPolarHBondContact O-CA 3.43Å; S1579-C1582 PolarHBondContact O-N 3.39Å | ||
| 1580 | F | 57.3 | Low | 67.4 | Low | 76 Ų | 76 | 47.5 Ų | 47.5 | 33% | 0.333 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -26.6 | 170.3 | -176.7 | -88.3 | 0 | 0 | 0 | 111.5 | L873 C1582 | L873-F1580 VanDerWaalsContact O-CD1 3.3Å; L873-F1580 WeakPolarHBondContact O-CD1 3.37Å; L873-F1580 WeakPolarHBondContact O-CE1 3.19Å; L873-F1580 VanDerWaalsContact O-CZ 3.28Å; L873-F1580 WeakPolarHBondContact O-CZ 3.31Å; F1580-C1582 PolarHBondContact O-N 2.97Å; F1580-C1582 VanDerWaalsContact O-N 3.07Å |
| 1581 | A | 56.7 | Low | 65.5 | Low | 67 Ų | 67 | 47.7 Ų | 47.7 | 55% | 0.554 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -8.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1579 | S1579-A1581 PolarHBondContact O-N 2.88Å; S1579-A1581 WeakPolarHBondContact OG-CB 3.35Å; S1579-A1581 PolarHBondContact OG-N 2.83Å; S1579-A1581 VanDerWaalsContact OG-N 3.11Å |
| 1582 | C | 59.2 | Low | 63.3 | Low | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | trans | -132 | 67.1 | -172.3 | -41.7 | 0 | 0 | 0 | 0 | 111.1 | V851 S1579 F1580 Y1584 C1585 N1589 | V851-C1582 WeakPolarHBondContact CB-SG 3.44Å; V851-C1582 HydrophobicContact CG1-CB 4.22Å; V851-C1582 WeakPolarHBondContact CG1-SG 3.26Å; V851-C1582 VanDerWaalsContact CG2-SG 3.53Å; S1579-C1582 CarbonylContact O-C 3.6Å; S1579-C1582 WeakPolarHBondContact O-CA 3.43Å; S1579-C1582 PolarHBondContact O-N 3.39Å; F1580-C1582 PolarHBondContact O-N 2.97Å; F1580-C1582 VanDerWaalsContact O-N 3.07Å; C1582-Y1584 PolarHBondContact O-N 3.14Å; C1582-C1585 HydrophobicContact CB-CB 4.39Å; C1582-C1585 WeakPolarHBondContact CB-SG 3.3Å; C1582-C1585 PolarHBondContact O-N 3.1Å; C1582-N1589 PolarHBondContact O-ND2 3.28Å | ||
| 1583 | P | 56.8 | Low | 61.2 | Low | 75 Ų | 75 | 64.2 Ų | 64.2 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -17 | 173.6 | 24.2 | -32.3 | 0 | 0 | 0 | 112.5 | N1589 | P1583-N1589 WeakPolarHBondContact CA-ND2 3.43Å; P1583-N1589 PolarHBondContact O-ND2 3.2Å |
| 1584 | Y | 57 | Low | 59.3 | Low | 175 Ų | 175 | 75.9 Ų | 75.9 | 69% | 0.686 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 11 | -177 | -49 | -66.2 | 0 | 0 | 0 | 115.4 | C1582 P1586 | C1582-Y1584 PolarHBondContact O-N 3.14Å; Y1584-P1586 WeakPolarHBondContact O-CD 3.49Å |
| 1585 | C | 67.6 | Low | 57.3 | Low | 1 Ų | 1 | 82.5 Ų | 82.5 | 1% | 0.007 | 41% | 0.408 | C | S | . | . | trans | -56.4 | 106.2 | 170.4 | -81 | 0 | 0 | 0 | 0 | 108.8 | C1582 D1587 Y1588 N1589 | C1582-C1585 HydrophobicContact CB-CB 4.39Å; C1582-C1585 WeakPolarHBondContact CB-SG 3.3Å; C1582-C1585 PolarHBondContact O-N 3.1Å; C1585-D1587 PolarHBondContact O-N 3.1Å; C1585-Y1588 PolarHBondContact O-N 3.33Å; C1585-Y1588 VanDerWaalsContact O-N 3.08Å; C1585-N1589 PolarHBondContact O-N 3.2Å; C1585-N1589 VanDerWaalsContact O-N 3.1Å | ||
| 1586 | P | 58.7 | Low | 55.5 | Low | 65 Ų | 65 | 89.5 Ų | 89.5 | 42% | 0.422 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.9 | -33.3 | -167 | 24.4 | -32 | 0 | 0 | 0 | 110.4 | Y1584 L1590 | Y1584-P1586 WeakPolarHBondContact O-CD 3.49Å; P1586-L1590 HydrophobicContact CB-CD1 4.38Å |
| 1587 | D | 59.6 | Low | 53.8 | Low | 73 Ų | 73 | 92.8 Ų | 92.8 | 39% | 0.39 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -87.5 | 1 | -177.1 | -60.9 | -42 | 0 | 0 | 0 | 114.5 | R1447 C1585 | R1447-D1587 PolarHBondContact NE-O 2.74Å; R1447-D1587 PolarHBondContact NH2-O 3.23Å; C1585-D1587 PolarHBondContact O-N 3.1Å |
| 1588 | Y | 58.9 | Low | 52.5 | Low | 73 Ų | 73 | 95.3 Ų | 95.3 | 29% | 0.286 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -118.8 | -48.2 | 175.6 | -160.7 | -89.3 | 0 | 0 | 0 | 111.9 | Y885 R1447 G1578 C1585 | Y885-Y1588 HydrophobicContact CE2-CE1 4.48Å; Y885-Y1588 VanDerWaalsContact CE2-OH 3.26Å; Y885-Y1588 WeakPolarHBondContact CE2-OH 3.39Å; Y885-Y1588 VanDerWaalsContact CZ-OH 3.27Å; Y885-Y1588 PolarHBondContact OH-OH 3.27Å; Y885-Y1588 VanDerWaalsContact OH-OH 3.09Å; R1447-Y1588 PolarHBondContact NH1-O 3.17Å; G1578-Y1588 VanDerWaalsContact CA-CD1 3.44Å; G1578-Y1588 VanDerWaalsContact CA-CG 3.48Å; C1585-Y1588 PolarHBondContact O-N 3.33Å; C1585-Y1588 VanDerWaalsContact O-N 3.08Å |
| 1589 | N | 56 | Low | 52.1 | Low | 74 Ų | 74 | 100.4 Ų | 100.4 | 40% | 0.396 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -90.2 | -25.1 | -168.5 | -64.9 | -28.8 | 0 | 0 | 0 | 115.3 | C1582 P1583 C1585 S1591 | C1582-N1589 PolarHBondContact O-ND2 3.28Å; P1583-N1589 WeakPolarHBondContact CA-ND2 3.43Å; P1583-N1589 PolarHBondContact O-ND2 3.2Å; C1585-N1589 PolarHBondContact O-N 3.2Å; C1585-N1589 VanDerWaalsContact O-N 3.1Å; N1589-S1591 PolarHBondContact O-N 2.89Å; N1589-S1591 VanDerWaalsContact O-N 3.16Å |
| 1590 | L | 53.1 | Low | 52 | Low | 120 Ų | 120 | 104.1 Ų | 104.1 | 63% | 0.628 | 53% | 0.532 | S | S | * | . | trans | -78.9 | 104 | 178.5 | -75 | 160.4 | 0 | 0 | 0 | 110.2 | P1586 | P1586-L1590 HydrophobicContact CB-CD1 4.38Š| ||
| 1591 | S | 46.5 | Very low | 52.1 | Low | 88 Ų | 88 | 105.4 Ų | 105.4 | 62% | 0.615 | 54% | 0.541 | S | S | * | . | trans | -72.3 | 125 | 152.8 | 98.5 | 0 | 0 | 0 | 0 | 106.5 | N1589 K1593 | N1589-S1591 PolarHBondContact O-N 2.89Å; N1589-S1591 VanDerWaalsContact O-N 3.16Å; S1591-K1593 PolarHBondContact O-N 2.85Å | ||
| 1592 | K | 40.7 | Very low | 52.4 | Low | 209 Ų | 209 | 107.9 Ų | 107.9 | 91% | 0.909 | 54% | 0.544 | S | S | * | . | trans | -63.5 | 87.8 | 161.9 | -77.6 | -176.4 | 177.8 | 179.1 | 0 | 106.9 | R1594 | K1592-R1594 PolarHBondContact O-N 2.78Š| ||
| 1593 | K | 40.1 | Very low | 52.7 | Low | 179 Ų | 179 | 111 Ų | 111 | 78% | 0.778 | 57% | 0.566 | S | S | * | * | trans | -55.9 | 108.5 | 162.2 | -93.3 | -175.3 | 175.8 | 179.3 | 0 | 105 | S1591 I1595 | S1591-K1593 PolarHBondContact O-N 2.85Å; K1593-I1595 PolarHBondContact O-N 3.04Å | ||
| 1594 | R | 42 | Very low | 53.4 | Low | 247 Ų | 247 | 112.8 Ų | 112.8 | 93% | 0.932 | 57% | 0.57 | S | S | * | * | trans | -59.3 | 93.2 | 158.1 | -99.6 | -174.2 | 175.6 | -177.6 | -0.6 | 104.8 | K1592 Q1596 | K1592-R1594 PolarHBondContact O-N 2.78Å; R1594-Q1596 VanDerWaalsContact C-N 3.28Å; R1594-Q1596 PolarHBondContact O-N 3.47Å | ||
| 1595 | I | 39.9 | Very low | 54.2 | Low | 143 Ų | 143 | 109 Ų | 109 | 73% | 0.733 | 56% | 0.561 | S | S | * | * | trans | -58.2 | 106.7 | 157.9 | -65.6 | 169.8 | 0 | 0 | 0 | 103 | K1593 S1597 | K1593-I1595 PolarHBondContact O-N 3.04Å; I1595-S1597 PolarHBondContact O-N 2.93Å | ||
| 1596 | Q | 41.2 | Very low | 54.5 | Low | 183 Ų | 183 | 116.1 Ų | 116.1 | 86% | 0.855 | 59% | 0.592 | S | S | * | * | trans | -57.1 | 101.9 | 166.8 | -162.5 | 171.5 | 1.1 | 0 | 0 | 104.1 | R1594 S1598 | R1594-Q1596 VanDerWaalsContact C-N 3.28Å; R1594-Q1596 PolarHBondContact O-N 3.47Å; Q1596-S1598 PolarHBondContact O-N 3.12Å | ||
| 1597 | S | 42.6 | Very low | 55.3 | Low | 78 Ų | 78 | 117.9 Ų | 117.9 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | trans | -58.5 | 109.4 | -171 | 58.2 | 0 | 0 | 0 | 0 | 107.5 | I1595 I1599 | I1595-S1597 PolarHBondContact O-N 2.93Å; S1597-I1599 PolarHBondContact O-N 2.77Å; S1597-I1599 WeakPolarHBondContact OG-CD1 3.28Å | ||
| 1598 | S | 46.8 | Very low | 56.1 | Low | 56 Ų | 56 | 118.5 Ų | 118.5 | 39% | 0.392 | 60% | 0.6 | S | S | . | * | trans | -70.9 | 57.8 | 171.9 | 46.2 | 0 | 0 | 0 | 0 | 109.8 | Q1596 S1600 I1601 L1602 | Q1596-S1598 PolarHBondContact O-N 3.12Å; S1598-S1600 PolarHBondContact O-N 2.77Å; S1598-I1601 PolarHBondContact O-N 2.87Å; S1598-L1602 PolarHBondContact O-N 2.84Å | ||
| 1599 | I | 55.3 | Low | 56.9 | Low | 113 Ų | 113 | 121.9 Ų | 121.9 | 58% | 0.579 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -55.1 | -31 | 171 | -66.8 | 168.2 | 0 | 0 | 0 | 109 | S1597 C1603 | S1597-I1599 PolarHBondContact O-N 2.77Å; S1597-I1599 WeakPolarHBondContact OG-CD1 3.28Å; I1599-C1603 VanDerWaalsContact O-CB 3.24Å; I1599-C1603 WeakPolarHBondContact O-CB 3.11Å; I1599-C1603 PolarHBondContact O-N 2.82Å; I1599-C1603 PolarHBondContact O-SG 2.82Å |
| 1600 | S | 55.3 | Low | 57.8 | Low | 88 Ų | 88 | 126.7 Ų | 126.7 | 62% | 0.615 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.1 | -38.3 | 173.5 | 44.9 | 0 | 0 | 0 | 0 | 114.3 | S1598 L1604 | S1598-S1600 PolarHBondContact O-N 2.77Å; S1600-L1604 WeakPolarHBondContact O-CB 3.28Å; S1600-L1604 PolarHBondContact O-N 2.83Å |
| 1601 | I | 60.3 | Low | 58.9 | Low | 102 Ų | 102 | 125.3 Ų | 125.3 | 52% | 0.523 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -78.6 | -37.2 | -178.3 | -59.7 | 175.7 | 0 | 0 | 0 | 110.9 | S1598 L1604 I1605 | S1598-I1601 PolarHBondContact O-N 2.87Å; I1601-L1604 PolarHBondContact O-N 2.93Å; I1601-I1605 HydrophobicContact CG2-CD1 3.99Å; I1601-I1605 VanDerWaalsContact O-CG1 3.29Å; I1601-I1605 WeakPolarHBondContact O-CG1 3.26Å; I1601-I1605 PolarHBondContact O-N 2.91Å |
| 1602 | L | 62.4 | Low | 60.2 | Low | 119 Ų | 119 | 125.5 Ų | 125.5 | 62% | 0.623 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.8 | -36.9 | 175.7 | -121.8 | 125.5 | 0 | 0 | 0 | 112.1 | S1598 F1606 | S1598-L1602 PolarHBondContact O-N 2.84Å; L1602-F1606 PolarHBondContact O-N 2.89Å; L1602-F1606 VanDerWaalsContact O-N 3.11Å |
| 1603 | C | 66.8 | Low | 61.5 | Low | 71 Ų | 71 | 120.7 Ų | 120.7 | 48% | 0.48 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.9 | -40.4 | 169.9 | -80.8 | 0 | 0 | 0 | 0 | 112.1 | I1599 I1605 F1606 L1607 | I1599-C1603 VanDerWaalsContact O-CB 3.24Å; I1599-C1603 WeakPolarHBondContact O-CB 3.11Å; I1599-C1603 PolarHBondContact O-N 2.82Å; I1599-C1603 PolarHBondContact O-SG 2.82Å; C1603-I1605 PolarHBondContact O-N 2.91Å; C1603-F1606 PolarHBondContact O-N 2.88Å; C1603-L1607 WeakPolarHBondContact O-CB 3.4Å; C1603-L1607 PolarHBondContact O-N 3.12Å |
| 1604 | L | 70.7 | Confident | 62.7 | Low | 111 Ų | 111 | 116 Ų | 116 | 58% | 0.581 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.1 | -41.2 | 178.4 | -144.1 | 96.1 | 0 | 0 | 0 | 111.8 | S1600 I1601 L1607 I1608 | S1600-L1604 WeakPolarHBondContact O-CB 3.28Å; S1600-L1604 PolarHBondContact O-N 2.83Å; I1601-L1604 PolarHBondContact O-N 2.93Å; L1604-L1607 PolarHBondContact O-N 3.2Å; L1604-I1608 HydrophobicContact CD2-CD1 3.9Å; L1604-I1608 HydrophobicContact CG-CD1 4.2Å; L1604-I1608 WeakPolarHBondContact O-CB 3.1Å; L1604-I1608 WeakPolarHBondContact O-CD1 3.41Å; L1604-I1608 WeakPolarHBondContact O-CG1 3.43Å; L1604-I1608 PolarHBondContact O-N 3.3Å |
| 1605 | I | 74.1 | Confident | 63.8 | Low | 96 Ų | 96 | 112.3 Ų | 112.3 | 49% | 0.492 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.8 | -37.6 | 177.9 | -67 | 166.7 | 0 | 0 | 0 | 111.1 | I1601 C1603 K1609 | I1601-I1605 HydrophobicContact CG2-CD1 3.99Å; I1601-I1605 VanDerWaalsContact O-CG1 3.29Å; I1601-I1605 WeakPolarHBondContact O-CG1 3.26Å; I1601-I1605 PolarHBondContact O-N 2.91Å; C1603-I1605 PolarHBondContact O-N 2.91Å; I1605-K1609 WeakPolarHBondContact O-CB 3.33Å; I1605-K1609 PolarHBondContact O-N 2.6Å |
| 1606 | F | 74.6 | Confident | 65.1 | Low | 151 Ų | 151 | 111.1 Ų | 111.1 | 66% | 0.662 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.4 | -41 | 173.4 | -109.1 | -85.1 | 0 | 0 | 0 | 112.2 | L1602 C1603 K1609 W1610 | L1602-F1606 PolarHBondContact O-N 2.89Å; L1602-F1606 VanDerWaalsContact O-N 3.11Å; C1603-F1606 PolarHBondContact O-N 2.88Å; F1606-K1609 PolarHBondContact O-N 3.31Å; F1606-W1610 VanDerWaalsContact O-CB 3.29Å; F1606-W1610 WeakPolarHBondContact O-CB 3.36Å; F1606-W1610 PolarHBondContact O-N 3.25Å |
| 1607 | L | 74.4 | Confident | 65.8 | Low | 102 Ų | 102 | 109.9 Ų | 109.9 | 53% | 0.534 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.9 | -41.7 | 176.4 | -118.9 | 142.2 | 0 | 0 | 0 | 111.8 | C1603 L1604 W1610 I1611 | C1603-L1607 WeakPolarHBondContact O-CB 3.4Å; C1603-L1607 PolarHBondContact O-N 3.12Å; L1604-L1607 PolarHBondContact O-N 3.2Å; L1607-W1610 PolarHBondContact O-N 3.36Å; L1607-I1611 HydrophobicContact CD2-CD1 3.79Å; L1607-I1611 HydrophobicContact CD2-CG1 4.39Å; L1607-I1611 WeakPolarHBondContact O-CB 3.47Å; L1607-I1611 VanDerWaalsContact O-CG1 3.23Å; L1607-I1611 WeakPolarHBondContact O-CG1 3.19Å; L1607-I1611 PolarHBondContact O-N 3.03Å |
| 1608 | I | 76.6 | Confident | 66.3 | Low | 85 Ų | 85 | 111.9 Ų | 111.9 | 44% | 0.436 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.7 | -42.6 | 175.8 | -68.9 | 164.3 | 0 | 0 | 0 | 110.4 | L1604 W1610 I1611 I1612 | L1604-I1608 HydrophobicContact CD2-CD1 3.9Å; L1604-I1608 HydrophobicContact CG-CD1 4.2Å; L1604-I1608 WeakPolarHBondContact O-CB 3.1Å; L1604-I1608 WeakPolarHBondContact O-CD1 3.41Å; L1604-I1608 WeakPolarHBondContact O-CG1 3.43Å; L1604-I1608 PolarHBondContact O-N 3.3Å; I1608-W1610 VanDerWaalsContact C-N 3.34Å; I1608-W1610 PolarHBondContact O-N 2.92Å; I1608-I1611 PolarHBondContact O-N 2.7Å; I1608-I1612 HydrophobicContact CG2-CD1 3.65Å; I1608-I1612 HydrophobicContact CG2-CG1 4.43Å; I1608-I1612 WeakPolarHBondContact O-CB 3.41Å; I1608-I1612 WeakPolarHBondContact O-CD1 3.46Å; I1608-I1612 WeakPolarHBondContact O-CG1 3.14Å; I1608-I1612 PolarHBondContact O-N 3.43Å |
| 1609 | K | 75.8 | Confident | 66 | Low | 144 Ų | 144 | 118.4 Ų | 118.4 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.6 | -37.5 | 173.5 | -94.4 | -172.4 | 171.1 | -175.6 | 0 | 112.8 | I1605 F1606 L1613 | I1605-K1609 WeakPolarHBondContact O-CB 3.33Å; I1605-K1609 PolarHBondContact O-N 2.6Å; F1606-K1609 PolarHBondContact O-N 3.31Å; K1609-L1613 WeakPolarHBondContact O-CB 3.4Å; K1609-L1613 PolarHBondContact O-N 2.8Å |
| 1610 | W | 75.3 | Confident | 66.6 | Low | 176 Ų | 176 | 118.7 Ų | 118.7 | 67% | 0.667 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.5 | -39.7 | 179.1 | -160.1 | 71.1 | 0 | 0 | 0 | 112 | F1606 L1607 I1608 L1613 L1614 | F1606-W1610 VanDerWaalsContact O-CB 3.29Å; F1606-W1610 WeakPolarHBondContact O-CB 3.36Å; F1606-W1610 PolarHBondContact O-N 3.25Å; L1607-W1610 PolarHBondContact O-N 3.36Å; I1608-W1610 VanDerWaalsContact C-N 3.34Å; I1608-W1610 PolarHBondContact O-N 2.92Å; W1610-L1613 PolarHBondContact O-N 2.81Å; W1610-L1614 HydrophobicContact CD2-CD1 3.63Å; W1610-L1614 HydrophobicContact CE3-CD1 3.4Å; W1610-L1614 HydrophobicContact CG-CD1 4.5Å; W1610-L1614 HydrophobicContact CH2-CD1 3.48Å; W1610-L1614 VanDerWaalsContact CH2-CD1 3.48Å; W1610-L1614 HydrophobicContact CZ2-CD1 3.69Å; W1610-L1614 HydrophobicContact CZ3-CD1 3.32Å; W1610-L1614 WeakPolarHBondContact O-CB 3.47Å; W1610-L1614 PolarHBondContact O-N 2.82Å |
| 1611 | I | 75.1 | Confident | 67.2 | Low | 91 Ų | 91 | 120.3 Ų | 120.3 | 47% | 0.467 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.8 | -40.1 | 173.6 | -68.3 | 164.9 | 0 | 0 | 0 | 110.9 | L1607 I1608 L1614 Y1615 | L1607-I1611 HydrophobicContact CD2-CD1 3.79Å; L1607-I1611 HydrophobicContact CD2-CG1 4.39Å; L1607-I1611 WeakPolarHBondContact O-CB 3.47Å; L1607-I1611 VanDerWaalsContact O-CG1 3.23Å; L1607-I1611 WeakPolarHBondContact O-CG1 3.19Å; L1607-I1611 PolarHBondContact O-N 3.03Å; I1608-I1611 PolarHBondContact O-N 2.7Å; I1611-L1614 PolarHBondContact O-N 2.65Å; I1611-Y1615 WeakPolarHBondContact O-CB 3.25Å; I1611-Y1615 PolarHBondContact O-N 3.01Å |
| 1612 | I | 75.3 | Confident | 67.6 | Low | 92 Ų | 92 | 121.3 Ų | 121.3 | 47% | 0.472 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.9 | -37.5 | 176.6 | -67.8 | 165.9 | 0 | 0 | 0 | 111.2 | I1608 Y1615 I1616 | I1608-I1612 HydrophobicContact CG2-CD1 3.65Å; I1608-I1612 HydrophobicContact CG2-CG1 4.43Å; I1608-I1612 WeakPolarHBondContact O-CB 3.41Å; I1608-I1612 WeakPolarHBondContact O-CD1 3.46Å; I1608-I1612 WeakPolarHBondContact O-CG1 3.14Å; I1608-I1612 PolarHBondContact O-N 3.43Å; I1612-Y1615 PolarHBondContact O-N 3.14Å; I1612-I1616 HydrophobicContact CG2-CD1 3.85Å; I1612-I1616 WeakPolarHBondContact O-CD1 2.98Å; I1612-I1616 VanDerWaalsContact O-CG1 3.25Å; I1612-I1616 WeakPolarHBondContact O-CG1 3.37Å; I1612-I1616 PolarHBondContact O-N 2.85Å |
| 1613 | L | 67.1 | Low | 67.9 | Low | 108 Ų | 108 | 121.5 Ų | 121.5 | 57% | 0.565 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.9 | -40.1 | 174.6 | -104.2 | 129.2 | 0 | 0 | 0 | 112.6 | K1609 W1610 Y1615 I1616 E1617 | K1609-L1613 WeakPolarHBondContact O-CB 3.4Å; K1609-L1613 PolarHBondContact O-N 2.8Å; W1610-L1613 PolarHBondContact O-N 2.81Å; L1613-Y1615 VanDerWaalsContact C-N 3.33Å; L1613-Y1615 PolarHBondContact O-N 3.11Å; L1613-I1616 PolarHBondContact O-N 3.12Å; L1613-E1617 PolarHBondContact O-N 2.87Å |
| 1614 | L | 64.9 | Low | 67.9 | Low | 80 Ų | 80 | 124.6 Ų | 124.6 | 42% | 0.419 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.4 | -28.5 | 175.2 | -91 | 152.9 | 0 | 0 | 0 | 113.6 | W1610 I1611 | W1610-L1614 HydrophobicContact CD2-CD1 3.63Å; W1610-L1614 HydrophobicContact CE3-CD1 3.4Å; W1610-L1614 HydrophobicContact CG-CD1 4.5Å; W1610-L1614 HydrophobicContact CH2-CD1 3.48Å; W1610-L1614 VanDerWaalsContact CH2-CD1 3.48Å; W1610-L1614 HydrophobicContact CZ2-CD1 3.69Å; W1610-L1614 HydrophobicContact CZ3-CD1 3.32Å; W1610-L1614 WeakPolarHBondContact O-CB 3.47Å; W1610-L1614 PolarHBondContact O-N 2.82Å; I1611-L1614 PolarHBondContact O-N 2.65Å |
| 1615 | Y | 65.6 | Low | 67.7 | Low | 169 Ų | 169 | 125.5 Ų | 125.5 | 66% | 0.663 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -78.6 | -22.7 | 175.6 | -134.8 | -88.9 | 0 | 0 | 0 | 113 | I1611 I1612 L1613 | I1611-Y1615 WeakPolarHBondContact O-CB 3.25Å; I1611-Y1615 PolarHBondContact O-N 3.01Å; I1612-Y1615 PolarHBondContact O-N 3.14Å; L1613-Y1615 VanDerWaalsContact C-N 3.33Å; L1613-Y1615 PolarHBondContact O-N 3.11Å |
| 1616 | I | 66.8 | Low | 67.3 | Low | 118 Ų | 118 | 127.6 Ų | 127.6 | 61% | 0.605 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -85 | -20.4 | 176.6 | -66.2 | 166.8 | 0 | 0 | 0 | 111.7 | I1612 L1613 | I1612-I1616 HydrophobicContact CG2-CD1 3.85Å; I1612-I1616 WeakPolarHBondContact O-CD1 2.98Å; I1612-I1616 VanDerWaalsContact O-CG1 3.25Å; I1612-I1616 WeakPolarHBondContact O-CG1 3.37Å; I1612-I1616 PolarHBondContact O-N 2.85Å; L1613-I1616 PolarHBondContact O-N 3.12Å |
| 1617 | E | 56.7 | Low | 66.7 | Low | 157 Ų | 157 | 125.8 Ų | 125.8 | 73% | 0.734 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -90.7 | -3.7 | 172.2 | -74.8 | -177.6 | 160.3 | 0 | 0 | 114 | L1613 | L1613-E1617 PolarHBondContact O-N 2.87Š|
| 1618 | C | 51.2 | Low | 66.1 | Low | 120 Ų | 120 | 127.8 Ų | 127.8 | 81% | 0.811 | 62% | 0.623 | S | S | * | * | trans | -107.9 | 0.6 | 174.3 | -98.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1619 | L | 42.4 | Very low | 65.1 | Low | 194 Ų | 194 | 131.7 Ų | 131.7 | 100% | 1.016 | 64% | 0.64 | S | S | * | * | trans | -104.1 | 0 | 163.6 | -97.6 | 156.6 | 0 | 0 | 0 | 108.2 |
Retrieved 1,619 of 1,619 residues in 2344.4 ms
(Link to these results)