| 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 | 28.8 | Very low | 30.5 | Very low | 240 Ų | 240 | 113.1 Ų | 113.1 | 100% | 1.182 | 61% | 0.607 | S | S | * | * | 0 | 91.5 | 0 | -81.4 | 174.1 | 173.4 | 0 | 0 | 108.9 | |||||
| 2 | T | 29.7 | Very low | 30.3 | Very low | 116 Ų | 116 | 111.5 Ų | 111.5 | 71% | 0.712 | 60% | 0.597 | S | S | * | * | trans | -166.2 | 88.2 | 161.7 | 20.2 | 0 | 0 | 0 | 0 | 106.7 | R4 | T2-R4 PolarHBondContact O-N 3.02Š| ||
| 3 | D | 25.6 | Very low | 30 | Very low | 143 Ų | 143 | 107.9 Ų | 107.9 | 77% | 0.765 | 59% | 0.592 | S | S | * | * | trans | -62.9 | 110.9 | 164.2 | -178.7 | 55.9 | 0 | 0 | 0 | 107.6 | T5 | D3-T5 PolarHBondContact OD1-OG1 2.88Š| ||
| 4 | R | 29.8 | Very low | 29.9 | Very low | 197 Ų | 197 | 108.9 Ų | 108.9 | 74% | 0.743 | 60% | 0.602 | S | S | * | * | trans | -134.9 | 55.9 | 174.3 | -70.2 | -166.1 | -173.1 | -177.2 | 5 | 108.8 | T2 C6 | T2-R4 PolarHBondContact O-N 3.02Å; R4-C6 PolarHBondContact O-N 2.87Å | ||
| 5 | T | 27.8 | Very low | 29.8 | Very low | 124 Ų | 124 | 109.1 Ų | 109.1 | 76% | 0.761 | 61% | 0.611 | S | S | * | * | trans | -77.4 | 101.9 | 177.1 | -47.4 | 0 | 0 | 0 | 0 | 108.4 | D3 | D3-T5 PolarHBondContact OD1-OG1 2.88Š| ||
| 6 | C | 31.5 | Very low | 29.5 | Very low | 42 Ų | 42 | 113.5 Ų | 113.5 | 28% | 0.284 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -89.3 | 138.6 | 179.3 | -143.5 | 0 | 0 | 0 | 0 | 110.5 | R4 L88 | R4-C6 PolarHBondContact O-N 2.87Å; C6-L88 HydrophobicContact CB-CD2 4.1Å; C6-L88 VanDerWaalsContact SG-CD2 3.59Å |
| 7 | G | 32.9 | Very low | 29.4 | Very low | 30 Ų | 30 | 111 Ų | 111 | 31% | 0.309 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 142.5 | -162.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L9 | G7-L9 PolarHBondContact O-N 3.04Š|
| 8 | I | 32.6 | Very low | 29.4 | Very low | 113 Ų | 113 | 114.8 Ų | 114.8 | 58% | 0.579 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 116.2 | 175.9 | -60.2 | 169 | 0 | 0 | 0 | 109.2 | R10 G67 | I8-R10 VanDerWaalsContact C-N 3.29Å; I8-R10 HydrophobicContact CG2-CG 4.28Å; I8-R10 PolarHBondContact O-N 3.4Å; I8-G67 VanDerWaalsContact O-O 3.08Å |
| 9 | L | 32.2 | Very low | 29.4 | Very low | 31 Ų | 31 | 116.8 Ų | 116.8 | 16% | 0.162 | 65% | 0.651 | C | S | . | * | B | Isolated β-bridge | trans | -68.1 | 85.4 | 166.4 | -89.3 | 157.2 | 0 | 0 | 0 | 109 | G7 G11 C68 K131 | G7-L9 PolarHBondContact O-N 3.04Å; L9-G11 PolarHBondContact O-N 3.37Å; L9-C68 WeakPolarHBondContact CD2-SG 3.34Å; L9-K131 HydrophobicContact CD2-CD 4Å |
| 10 | R | 35.3 | Very low | 29.2 | Very low | 147 Ų | 147 | 116.1 Ų | 116.1 | 56% | 0.555 | 65% | 0.65 | S | S | * | * | trans | -68.9 | 119.1 | 165.9 | -88.2 | -161.2 | 173.3 | -160.6 | -0.7 | 109.6 | I8 | I8-R10 VanDerWaalsContact C-N 3.29Å; I8-R10 HydrophobicContact CG2-CG 4.28Å; I8-R10 PolarHBondContact O-N 3.4Å | ||
| 11 | G | 29.6 | Very low | 29 | Very low | 61 Ų | 61 | 119.6 Ų | 119.6 | 63% | 0.629 | 66% | 0.655 | S | S | * | * | trans | -70.6 | 120.1 | 151 | 0 | 0 | 0 | 0 | 0 | 108.2 | L9 | L9-G11 PolarHBondContact O-N 3.37Š| ||
| 12 | I | 27.9 | Very low | 29 | Very low | 94 Ų | 94 | 117.4 Ų | 117.4 | 48% | 0.482 | 64% | 0.639 | S | S | . | * | trans | 34.1 | 104.9 | 153.8 | -43.1 | 174.9 | 0 | 0 | 0 | 116.2 | V14 L44 L48 | I12-V14 HydrophobicContact CG2-CG2 4.38Å; I12-L44 HydrophobicContact CD1-CD1 4.41Å; I12-L48 HydrophobicContact CD1-CD2 3.56Å; I12-L48 HydrophobicContact CG1-CD2 4.12Å | ||
| 13 | A | 26.7 | Very low | 28.9 | Very low | 65 Ų | 65 | 116.8 Ų | 116.8 | 54% | 0.537 | 64% | 0.637 | S | S | . | * | trans | -133 | 112.9 | 148 | 0 | 0 | 0 | 0 | 0 | 107.1 | P15 | A13-P15 WeakPolarHBondContact O-CD 3.36Š| ||
| 14 | V | 28.2 | Very low | 29.2 | Very low | 121 Ų | 121 | 114.9 Ų | 114.9 | 73% | 0.733 | 64% | 0.635 | S | S | * | * | trans | -109.8 | 102.1 | 172.5 | 179.8 | 0 | 0 | 0 | 0 | 107.2 | I12 | I12-V14 HydrophobicContact CG2-CG2 4.38Š| ||
| 15 | P | 28.3 | Very low | 29.4 | Very low | 112 Ų | 112 | 114.3 Ų | 114.3 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | trans | -94 | 143.4 | 160.6 | 3 | 17.3 | 0 | 0 | 0 | 110 | A13 | A13-P15 WeakPolarHBondContact O-CD 3.36Š| ||
| 16 | E | 25.3 | Very low | 29.6 | Very low | 180 Ų | 180 | 111.6 Ų | 111.6 | 84% | 0.841 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -48.1 | 135.9 | -165.3 | -59.7 | 174.2 | 123.6 | 0 | 0 | 115.4 | ||
| 17 | G | 27.4 | Very low | 30.2 | Very low | 71 Ų | 71 | 119.7 Ų | 119.7 | 73% | 0.732 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 162.6 | -30.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 18 | Q | 29.2 | Very low | 30.3 | Very low | 180 Ų | 180 | 124.5 Ų | 124.5 | 84% | 0.841 | 70% | 0.698 | S | S | * | * | trans | -171.4 | 92.2 | -172.4 | -115.7 | 170.2 | 34.7 | 0 | 0 | 112.7 | ||||
| 19 | L | 29 | Very low | 30.6 | Very low | 153 Ų | 153 | 122.7 Ų | 122.7 | 80% | 0.801 | 71% | 0.707 | S | S | * | * | trans | -158.9 | 75.3 | 157.2 | -107.2 | 155 | 0 | 0 | 0 | 108.4 | ||||
| 20 | T | 26.8 | Very low | 31.3 | Very low | 101 Ų | 101 | 130 Ų | 130 | 62% | 0.62 | 75% | 0.745 | S | S | * | * | trans | -64.1 | 134.1 | 161.6 | 46.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 21 | Y | 24.9 | Very low | 31.2 | Very low | 191 Ų | 191 | 126.6 Ų | 126.6 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | -170.8 | 118.8 | 50.4 | 174 | -96.5 | 0 | 0 | 0 | 108.9 | P23 | Y21-P23 HydrophobicContact CE1-CG 4.21Š| |||
| 22 | F | 28.4 | Very low | 31.6 | Very low | 193 Ų | 193 | 126.6 Ų | 126.6 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | -127.7 | 124.7 | 154 | -74.3 | -79.1 | 0 | 0 | 0 | 106.3 | S24 | F22-S24 PolarHBondContact O-N 2.84Š| ||
| 23 | P | 27.5 | Very low | 32 | Very low | 104 Ų | 104 | 126 Ų | 126 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | trans | -78.5 | 92.7 | -179.6 | 31.5 | -30.6 | 0 | 0 | 0 | 108.9 | Y21 | Y21-P23 HydrophobicContact CE1-CG 4.21Š| ||
| 24 | S | 31.8 | Very low | 32.5 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | -125.3 | 94.9 | 164.2 | 25.7 | 0 | 0 | 0 | 0 | 109.7 | F22 | F22-S24 PolarHBondContact O-N 2.84Š| ||
| 25 | L | 33.9 | Very low | 33.3 | Very low | 185 Ų | 185 | 130 Ų | 130 | 97% | 0.969 | 79% | 0.789 | S | S | * | * | trans | 0.3 | 117.4 | 148.2 | -164.4 | 71 | 0 | 0 | 0 | 116.8 | ||||
| 26 | G | 32.1 | Very low | 33.8 | Very low | 66 Ų | 66 | 129 Ų | 129 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | trans | 116.7 | 81 | 137.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 27 | K | 44 | Very low | 34.5 | Very low | 212 Ų | 212 | 125.4 Ų | 125.4 | 92% | 0.922 | 78% | 0.775 | S | S | * | * | trans | 73.2 | 145 | 143.5 | -67.4 | -173.7 | 174 | -175.4 | 0 | 121.6 | ||||
| 28 | P | 35.9 | Very low | 35 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -102.7 | 148.7 | -160.8 | 37.3 | -26.9 | 0 | 0 | 0 | 114 | ||||
| 29 | G | 38.8 | Very low | 35.4 | Very low | 75 Ų | 75 | 125.4 Ų | 125.4 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | 176.6 | 108.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 30 | L | 45.6 | Very low | 35.6 | Very low | 183 Ų | 183 | 122.2 Ų | 122.2 | 96% | 0.958 | 75% | 0.75 | S | S | * | * | trans | 74.6 | 125.9 | 147.8 | -140.6 | 70 | 0 | 0 | 0 | 119.4 | ||||
| 31 | G | 34.5 | Very low | 36.3 | Very low | 77 Ų | 77 | 121.9 Ų | 121.9 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | trans | -72.8 | 163.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 32 | G | 37.8 | Very low | 36.9 | Very low | 61 Ų | 61 | 120.3 Ų | 120.3 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | trans | 169.1 | 103.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110 | I34 | G32-I34 PolarHBondContact O-N 2.97Š| ||
| 33 | G | 35.1 | Very low | 37.5 | Very low | 80 Ų | 80 | 112.5 Ų | 112.5 | 83% | 0.825 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 125.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 34 | I | 38.2 | Very low | 38.2 | Very low | 156 Ų | 156 | 109.5 Ų | 109.5 | 80% | 0.8 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 118.9 | 177.8 | 3 | 174 | 0 | 0 | 0 | 108.8 | G32 | G32-I34 PolarHBondContact O-N 2.97Š|
| 35 | S | 44 | Very low | 38.8 | Very low | 115 Ų | 115 | 108.3 Ų | 108.3 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 133.2 | 168.1 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 36 | V | 40.3 | Very low | 39.5 | Very low | 91 Ų | 91 | 107.9 Ų | 107.9 | 55% | 0.552 | 68% | 0.681 | S | S | * | * | trans | -112 | 93.1 | -168.8 | -174 | 0 | 0 | 0 | 0 | 108.9 | L39 | V36-L39 HydrophobicContact CG1-CB 4.36Å; V36-L39 HydrophobicContact CG1-CD1 3.33Å; V36-L39 HydrophobicContact CG1-CD2 3.92Å; V36-L39 HydrophobicContact CG1-CG 3.24Å | ||
| 37 | S | 38.3 | Very low | 40.9 | Very low | 105 Ų | 105 | 107.8 Ų | 107.8 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -123.9 | 25.6 | 171.3 | -58.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 38 | L | 38 | Very low | 41.9 | Very low | 165 Ų | 165 | 98.3 Ų | 98.3 | 86% | 0.864 | 63% | 0.633 | S | S | * | * | trans | -144.2 | 30.8 | 179.9 | -67.4 | 175.7 | 0 | 0 | 0 | 113.5 | T40 | L38-T40 PolarHBondContact O-N 3.46Š| ||
| 39 | L | 37.5 | Very low | 43.7 | Very low | 85 Ų | 85 | 94.9 Ų | 94.9 | 45% | 0.445 | 61% | 0.611 | S | S | . | * | trans | -76 | 111.2 | 172.1 | -69.6 | 179.8 | 0 | 0 | 0 | 109.6 | V36 S43 | V36-L39 HydrophobicContact CG1-CB 4.36Å; V36-L39 HydrophobicContact CG1-CD1 3.33Å; V36-L39 HydrophobicContact CG1-CD2 3.92Å; V36-L39 HydrophobicContact CG1-CG 3.24Å; L39-S43 WeakPolarHBondContact CA-OG 3.23Å; L39-S43 VanDerWaalsContact CB-OG 3.23Å; L39-S43 WeakPolarHBondContact CB-OG 3.35Å; L39-S43 WeakPolarHBondContact CD2-OG 3.44Å | ||
| 40 | T | 34.9 | Very low | 45.4 | Very low | 87 Ų | 87 | 94.4 Ų | 94.4 | 53% | 0.534 | 59% | 0.593 | S | S | . | * | trans | -53.3 | 146.6 | 165 | 41.6 | 0 | 0 | 0 | 0 | 109.4 | L38 Q42 S43 L44 | L38-T40 PolarHBondContact O-N 3.46Å; T40-Q42 PolarHBondContact O-N 2.93Å; T40-S43 PolarHBondContact N-OG 2.91Å; T40-S43 PolarHBondContact O-N 2.87Å; T40-S43 PolarHBondContact O-OG 3.32Å; T40-S43 PolarHBondContact OG1-OG 3.25Å; T40-L44 PolarHBondContact O-N 3.2Å | ||
| 41 | P | 41.3 | Very low | 47 | Very low | 93 Ų | 93 | 87.4 Ų | 87.4 | 60% | 0.604 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -49.4 | -30 | -179.2 | -28.6 | 34.1 | 0 | 0 | 0 | 114.3 | L44 S45 | P41-L44 WeakPolarHBondContact O-CB 3.47Å; P41-L44 PolarHBondContact O-N 3.28Å; P41-S45 PolarHBondContact O-N 2.71Å |
| 42 | Q | 37.2 | Very low | 49.2 | Very low | 158 Ų | 158 | 91 Ų | 91 | 74% | 0.738 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.4 | -35.3 | 176.7 | -64.7 | -176.4 | -12.9 | 0 | 0 | 113.6 | T40 L44 S45 | T40-Q42 PolarHBondContact O-N 2.93Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; Q42-S45 PolarHBondContact O-OG 3.37Å |
| 43 | S | 41.1 | Very low | 51.4 | Low | 30 Ų | 30 | 88.4 Ų | 88.4 | 21% | 0.21 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -79.2 | -18.6 | 176 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | L39 T40 A47 | L39-S43 WeakPolarHBondContact CA-OG 3.23Å; L39-S43 VanDerWaalsContact CB-OG 3.23Å; L39-S43 WeakPolarHBondContact CB-OG 3.35Å; L39-S43 WeakPolarHBondContact CD2-OG 3.44Å; T40-S43 PolarHBondContact N-OG 2.91Å; T40-S43 PolarHBondContact O-N 2.87Å; T40-S43 PolarHBondContact O-OG 3.32Å; T40-S43 PolarHBondContact OG1-OG 3.25Å; S43-A47 WeakPolarHBondContact O-CB 3.25Å |
| 44 | L | 42.3 | Very low | 53.7 | Low | 41 Ų | 41 | 90.5 Ų | 90.5 | 22% | 0.215 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -71.2 | -37.7 | 173.6 | -150.4 | 112.5 | 0 | 0 | 0 | 110.8 | I12 T40 P41 Q42 E46 A47 L48 L126 W127 | I12-L44 HydrophobicContact CD1-CD1 4.41Å; T40-L44 PolarHBondContact O-N 3.2Å; P41-L44 WeakPolarHBondContact O-CB 3.47Å; P41-L44 PolarHBondContact O-N 3.28Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; L44-E46 PolarHBondContact O-N 3.25Å; L44-A47 PolarHBondContact O-N 2.91Å; L44-L48 HydrophobicContact CD2-CD1 3.79Å; L44-L48 HydrophobicContact CD2-CG 4.23Å; L44-L48 HydrophobicContact CG-CD1 4.48Å; L44-L48 HydrophobicContact CG-CG 4.42Å; L44-L48 VanDerWaalsContact O-CG 3.25Å; L44-L48 WeakPolarHBondContact O-CG 3.43Å; L44-L48 PolarHBondContact O-N 3.39Å; L44-L126 HydrophobicContact CD2-CD1 4.4Å; L44-W127 HydrophobicContact CD2-CZ3 4.2Å |
| 45 | S | 44.8 | Very low | 55.9 | Low | 77 Ų | 77 | 83.1 Ų | 83.1 | 54% | 0.538 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.1 | -31.4 | -179.3 | 58.7 | 0 | 0 | 0 | 0 | 114 | P41 Q42 | P41-S45 PolarHBondContact O-N 2.71Å; Q42-S45 PolarHBondContact O-OG 3.37Å |
| 46 | E | 48.2 | Very low | 57.7 | Low | 176 Ų | 176 | 80.6 Ų | 80.6 | 82% | 0.822 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -77.4 | -23.5 | 176.9 | -77.2 | -173.8 | 152.8 | 0 | 0 | 113.3 | L44 | L44-E46 PolarHBondContact O-N 3.25Å |
| 47 | A | 61.6 | Low | 59.8 | Low | 64 Ų | 64 | 78.7 Ų | 78.7 | 53% | 0.529 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -102.1 | -9.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S43 L44 P49 | S43-A47 WeakPolarHBondContact O-CB 3.25Å; L44-A47 PolarHBondContact O-N 2.91Å; A47-P49 WeakPolarHBondContact O-CD 3.47Å |
| 48 | L | 65 | Low | 61.9 | Low | 14 Ų | 14 | 75.7 Ų | 75.7 | 7% | 0.073 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -76.4 | 121.3 | -179.3 | -77.9 | -177.9 | 0 | 0 | 0 | 110.5 | I12 L44 T50 L63 L126 F128 | I12-L48 HydrophobicContact CD1-CD2 3.56Å; I12-L48 HydrophobicContact CG1-CD2 4.12Å; L44-L48 HydrophobicContact CD2-CD1 3.79Å; L44-L48 HydrophobicContact CD2-CG 4.23Å; L44-L48 HydrophobicContact CG-CD1 4.48Å; L44-L48 HydrophobicContact CG-CG 4.42Å; L44-L48 VanDerWaalsContact O-CG 3.25Å; L44-L48 WeakPolarHBondContact O-CG 3.43Å; L44-L48 PolarHBondContact O-N 3.39Å; L48-T50 PolarHBondContact O-N 3.3Å; L48-T50 PolarHBondContact O-OG1 3.46Å; L48-L63 HydrophobicContact CB-CD1 3.76Å; L48-L63 HydrophobicContact CD1-CD1 4.04Å; L48-L63 HydrophobicContact CD2-CD1 3.9Å; L48-L63 HydrophobicContact CG-CD1 4.08Å; L48-L126 HydrophobicContact CD1-CD1 4.27Å; L48-F128 HydrophobicContact CD1-CE2 3.77Å |
| 49 | P | 74.1 | Confident | 64 | Low | 59 Ų | 59 | 73.4 Ų | 73.4 | 38% | 0.383 | 41% | 0.405 | S | S | . | . | trans | -63 | 106.9 | 179.8 | 27.7 | -35.1 | 0 | 0 | 0 | 108.6 | A47 V64 | A47-P49 WeakPolarHBondContact O-CD 3.47Å; P49-V64 HydrophobicContact CB-CB 4.1Å; P49-V64 HydrophobicContact CG-CB 4.18Å; P49-V64 WeakPolarHBondContact CG-O 3.49Å; P49-V64 WeakPolarHBondContact O-CB 3.47Å; P49-V64 WeakPolarHBondContact O-CG2 3.25Å; P49-V64 PolarHBondContact O-N 2.94Å | ||
| 50 | T | 73.9 | Confident | 66.2 | Low | 65 Ų | 65 | 72.2 Ų | 72.2 | 40% | 0.399 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 136.8 | -173 | -59.1 | 0 | 0 | 0 | 0 | 109.7 | L48 D61 I62 F128 | L48-T50 PolarHBondContact O-N 3.3Å; L48-T50 PolarHBondContact O-OG1 3.46Å; T50-D61 HydrophobicContact CG2-CB 3.89Å; T50-I62 CarbonylContact C-O 3.54Å; T50-I62 VanDerWaalsContact CA-O 3.25Å; T50-I62 WeakPolarHBondContact CA-O 3.46Å; T50-F128 HydrophobicContact CG2-CE1 3.69Å; T50-F128 HydrophobicContact CG2-CZ 4.29Å; T50-F128 WeakPolarHBondContact OG1-CZ 3.43Å |
| 51 | V | 78.9 | Confident | 68.4 | Low | 36 Ų | 36 | 72.1 Ų | 72.1 | 22% | 0.218 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 141 | 175.3 | 64.3 | 0 | 0 | 0 | 0 | 110.2 | M53 I62 V64 L108 L132 | V51-M53 HydrophobicContact CG1-CE 3.37Å; V51-I62 HydrophobicContact CG1-CB 4.07Å; V51-I62 HydrophobicContact CG1-CG2 4.41Å; V51-I62 PolarHBondContact N-O 2.88Å; V51-I62 WeakPolarHBondContact O-CB 3.07Å; V51-I62 PolarHBondContact O-N 3.03Å; V51-V64 HydrophobicContact CB-CG2 4.26Å; V51-V64 HydrophobicContact CG1-CG2 3.81Å; V51-L108 HydrophobicContact CG2-CD1 3.75Å; V51-L132 HydrophobicContact CG1-CD1 3.71Å |
| 52 | R | 81.5 | Confident | 70.2 | Confident | 153 Ų | 153 | 67.7 Ų | 67.7 | 58% | 0.577 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 122.2 | 174.1 | -160.6 | 171.5 | -150.5 | -171.2 | 0.5 | 110 | Q59 R60 D61 | R52-Q59 HydrophobicContact CG-CG 3.89Å; R52-Q59 VanDerWaalsContact NH2-NE2 3.18Å; R52-R60 WeakPolarHBondContact CA-O 3.49Å; R52-D61 WeakPolarHBondContact CG-OD1 3.43Å; R52-D61 IonicContact NE-OD1 3.65Å |
| 53 | M | 83.4 | Confident | 72.4 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 167.9 | 176.8 | 72.2 | 173 | 82.9 | 0 | 0 | 111.6 | V51 V55 R60 I62 L106 Q107 L108 L132 W140 | V51-M53 HydrophobicContact CG1-CE 3.37Å; M53-V55 HydrophobicContact CG-CG2 4.32Å; M53-R60 PolarHBondContact N-O 3.17Å; M53-R60 PolarHBondContact O-N 2.84Å; M53-R60 VanDerWaalsContact O-O 3.14Å; M53-I62 HydrophobicContact CE-CB 4.36Å; M53-I62 HydrophobicContact CE-CD1 3.83Å; M53-I62 HydrophobicContact CE-CG2 4.34Å; M53-I62 HydrophobicContact CG-CD1 3.13Å; M53-I62 HydrophobicContact CG-CG1 3.99Å; M53-I62 HydrophobicContact SD-CD1 3.47Å; M53-I62 WeakPolarHBondContact SD-CD1 3.39Å; M53-L106 HydrophobicContact SD-CB 4.05Å; M53-L106 HydrophobicContact SD-CD1 4.22Å; M53-L106 HydrophobicContact SD-CD2 4.01Å; M53-L106 HydrophobicContact SD-CG 4.33Å; M53-Q107 WeakPolarHBondContact CB-O 3.37Å; M53-L108 HydrophobicContact CB-CD1 4.2Å; M53-L132 HydrophobicContact CE-CD1 3.3Å; M53-L132 HydrophobicContact CE-CD2 3.81Å; M53-L132 HydrophobicContact CE-CG 3.89Å; M53-L132 HydrophobicContact SD-CD2 4.37Å; M53-W140 HydrophobicContact SD-CZ3 4.4Å |
| 54 | R | 83.4 | Confident | 74.2 | Confident | 125 Ų | 125 | 60.3 Ų | 60.3 | 47% | 0.472 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 131.2 | 170.7 | -67.6 | 178.6 | 179.1 | -172.5 | -4.1 | 110.3 | A58 L106 Q107 | R54-A58 CarbonylContact C-O 3.54Å; R54-A58 VanDerWaalsContact CA-O 3.25Å; R54-A58 WeakPolarHBondContact CA-O 3.43Å; R54-L106 CarbonylContact O-C 3.58Å; R54-L106 WeakPolarHBondContact O-CA 3.45Å; R54-Q107 HydrophobicContact CB-CB 4.14Å; R54-Q107 PolarHBondContact N-O 2.84Å; R54-Q107 PolarHBondContact O-N 3.4Å |
| 55 | V | 84.3 | Confident | 75.6 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 115.3 | 173 | -174.3 | 0 | 0 | 0 | 0 | 106.1 | M53 G57 A58 R60 I62 V104 L106 F130 | M53-V55 HydrophobicContact CG-CG2 4.32Å; V55-G57 PolarHBondContact O-N 2.78Å; V55-A58 PolarHBondContact N-O 3.21Å; V55-A58 PolarHBondContact O-N 3.48Å; V55-R60 HydrophobicContact CB-CG 4.45Å; V55-R60 HydrophobicContact CG2-CB 4.24Å; V55-R60 HydrophobicContact CG2-CG 4.39Å; V55-I62 HydrophobicContact CG2-CD1 3.23Å; V55-I62 HydrophobicContact CG2-CG1 4.29Å; V55-V104 HydrophobicContact CG1-CG1 3.48Å; V55-V104 VanDerWaalsContact CG1-CG1 3.48Å; V55-L106 HydrophobicContact CB-CD2 4.39Å; V55-L106 HydrophobicContact CG1-CD2 4.15Å; V55-L106 HydrophobicContact CG2-CD2 3.95Å; V55-F130 HydrophobicContact CG1-CD2 3.93Å; V55-F130 HydrophobicContact CG1-CE2 4.25Å; V55-F130 HydrophobicContact CG2-CG 4.42Å |
| 56 | E | 82.8 | Confident | 76.5 | Confident | 62 Ų | 62 | 59 Ų | 59 | 29% | 0.29 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 41.4 | -172.4 | -59.9 | -53 | 145.2 | 0 | 0 | 112.4 | A58 V104 R105 | E56-A58 PolarHBondContact O-N 2.97Å; E56-A58 VanDerWaalsContact O-N 3.08Å; E56-V104 HydrophobicContact CG-CG1 4.22Å; E56-V104 WeakPolarHBondContact OE1-CA 3.39Å; E56-V104 WeakPolarHBondContact OE1-CG1 3.45Å; E56-R105 PolarHBondContact N-O 3.22Å; E56-R105 PolarHBondContact OE1-N 3.1Å |
| 57 | G | 83 | Confident | 77.5 | Confident | 52 Ų | 52 | 52 Ų | 52 | 54% | 0.536 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | -20.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | V55 | V55-G57 PolarHBondContact O-N 2.78Š|
| 58 | A | 82.5 | Confident | 77.8 | Confident | 41 Ų | 41 | 49.4 Ų | 49.4 | 34% | 0.339 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 130.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R54 V55 E56 R60 | R54-A58 CarbonylContact C-O 3.54Å; R54-A58 VanDerWaalsContact CA-O 3.25Å; R54-A58 WeakPolarHBondContact CA-O 3.43Å; V55-A58 PolarHBondContact N-O 3.21Å; V55-A58 PolarHBondContact O-N 3.48Å; E56-A58 PolarHBondContact O-N 2.97Å; E56-A58 VanDerWaalsContact O-N 3.08Å; A58-R60 PolarHBondContact O-N 2.87Å |
| 59 | Q | 83.3 | Confident | 78 | Confident | 118 Ų | 118 | 51.7 Ų | 51.7 | 55% | 0.551 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 124.3 | 175.5 | -176 | 169.8 | -87.6 | 0 | 0 | 110.4 | R52 | R52-Q59 HydrophobicContact CG-CG 3.89Å; R52-Q59 VanDerWaalsContact NH2-NE2 3.18Å |
| 60 | R | 83.6 | Confident | 78.2 | Confident | 60 Ų | 60 | 53.5 Ų | 53.5 | 23% | 0.226 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 151.6 | -177.9 | -58 | -171.8 | -173.3 | -98.7 | 0.2 | 111 | R52 M53 V55 A58 I62 D129 | R52-R60 WeakPolarHBondContact CA-O 3.49Å; M53-R60 PolarHBondContact N-O 3.17Å; M53-R60 PolarHBondContact O-N 2.84Å; M53-R60 VanDerWaalsContact O-O 3.14Å; V55-R60 HydrophobicContact CB-CG 4.45Å; V55-R60 HydrophobicContact CG2-CB 4.24Å; V55-R60 HydrophobicContact CG2-CG 4.39Å; A58-R60 PolarHBondContact O-N 2.87Å; R60-I62 HydrophobicContact CB-CG1 4.34Å; R60-D129 IonicContact NH1-OD2 2.88Å; R60-D129 PolarHBondContact NH1-OD2 3.3Å |
| 61 | D | 80.3 | Confident | 78.7 | Confident | 84 Ų | 84 | 50.4 Ų | 50.4 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 132.6 | 165.7 | -62.9 | -35.7 | 0 | 0 | 0 | 108.2 | T50 R52 F128 | T50-D61 HydrophobicContact CG2-CB 3.89Å; R52-D61 WeakPolarHBondContact CG-OD1 3.43Å; R52-D61 IonicContact NE-OD1 3.65Å; D61-F128 HydrophobicContact CB-CE1 4.43Å; D61-F128 WeakPolarHBondContact O-CD1 3.24Å |
| 62 | I | 78.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.7 | -167.1 | -61.8 | -165 | 0 | 0 | 0 | 110.9 | T50 V51 M53 V55 R60 V64 F130 L132 | T50-I62 CarbonylContact C-O 3.54Å; T50-I62 VanDerWaalsContact CA-O 3.25Å; T50-I62 WeakPolarHBondContact CA-O 3.46Å; V51-I62 HydrophobicContact CG1-CB 4.07Å; V51-I62 HydrophobicContact CG1-CG2 4.41Å; V51-I62 PolarHBondContact N-O 2.88Å; V51-I62 WeakPolarHBondContact O-CB 3.07Å; V51-I62 PolarHBondContact O-N 3.03Å; M53-I62 HydrophobicContact CE-CB 4.36Å; M53-I62 HydrophobicContact CE-CD1 3.83Å; M53-I62 HydrophobicContact CE-CG2 4.34Å; M53-I62 HydrophobicContact CG-CD1 3.13Å; M53-I62 HydrophobicContact CG-CG1 3.99Å; M53-I62 HydrophobicContact SD-CD1 3.47Å; M53-I62 WeakPolarHBondContact SD-CD1 3.39Å; V55-I62 HydrophobicContact CG2-CD1 3.23Å; V55-I62 HydrophobicContact CG2-CG1 4.29Å; R60-I62 HydrophobicContact CB-CG1 4.34Å; I62-V64 PolarHBondContact O-N 3.44Å; I62-F130 HydrophobicContact CD1-CB 4.05Å; I62-F130 HydrophobicContact CD1-CD1 3.71Å; I62-F130 HydrophobicContact CD1-CE1 4.48Å; I62-F130 HydrophobicContact CD1-CG 4.08Å; I62-F130 HydrophobicContact CG1-CB 4.18Å; I62-F130 HydrophobicContact CG1-CD1 4.41Å; I62-F130 HydrophobicContact CG2-CB 4.44Å; I62-F130 HydrophobicContact CG2-CD1 3.69Å; I62-F130 WeakPolarHBondContact CG2-O 3.09Å; I62-L132 HydrophobicContact CG2-CB 4.47Å; I62-L132 HydrophobicContact CG2-CD1 4.02Å; I62-L132 HydrophobicContact CG2-CG 3.66Å |
| 63 | L | 83 | Confident | 78.7 | Confident | 8 Ų | 8 | 41.6 Ų | 41.6 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 123.4 | 173.7 | -179.3 | 58.4 | 0 | 0 | 0 | 111.3 | L48 G65 L126 F128 F130 K131 L132 | L48-L63 HydrophobicContact CB-CD1 3.76Å; L48-L63 HydrophobicContact CD1-CD1 4.04Å; L48-L63 HydrophobicContact CD2-CD1 3.9Å; L48-L63 HydrophobicContact CG-CD1 4.08Å; L63-G65 PolarHBondContact O-N 2.86Å; L63-L126 HydrophobicContact CD2-CD1 4.24Å; L63-F128 HydrophobicContact CB-CB 4.26Å; L63-F128 HydrophobicContact CB-CD1 4.24Å; L63-F128 HydrophobicContact CB-CD2 3.76Å; L63-F128 HydrophobicContact CB-CE2 4.15Å; L63-F128 HydrophobicContact CB-CG 3.82Å; L63-F128 HydrophobicContact CD1-CE2 4.36Å; L63-F128 HydrophobicContact CD2-CD2 4.2Å; L63-F128 HydrophobicContact CG-CD2 4.43Å; L63-F130 PolarHBondContact N-O 3.33Å; L63-K131 HydrophobicContact CB-CG 4.37Å; L63-K131 HydrophobicContact CD2-CD 4.19Å; L63-K131 HydrophobicContact CD2-CG 4.39Å; L63-K131 HydrophobicContact CG-CG 4.3Å; L63-K131 CarbonylContact O-C 3.53Å; L63-K131 VanDerWaalsContact O-CA 3.28Å; L63-K131 WeakPolarHBondContact O-CA 3.42Å; L63-L132 PolarHBondContact O-N 3.21Å |
| 64 | V | 80.2 | Confident | 78.4 | Confident | 26 Ų | 26 | 42.6 Ų | 42.6 | 16% | 0.158 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 102.6 | 174.3 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | P49 V51 I62 T66 L132 | P49-V64 HydrophobicContact CB-CB 4.1Å; P49-V64 HydrophobicContact CG-CB 4.18Å; P49-V64 WeakPolarHBondContact CG-O 3.49Å; P49-V64 WeakPolarHBondContact O-CB 3.47Å; P49-V64 WeakPolarHBondContact O-CG2 3.25Å; P49-V64 PolarHBondContact O-N 2.94Å; V51-V64 HydrophobicContact CB-CG2 4.26Å; V51-V64 HydrophobicContact CG1-CG2 3.81Å; I62-V64 PolarHBondContact O-N 3.44Å; V64-T66 PolarHBondContact O-N 3.08Å; V64-L132 HydrophobicContact CG2-CD1 4.02Å |
| 65 | G | 70.8 | Confident | 77.8 | Confident | 4 Ų | 4 | 38 Ų | 38 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | trans | -86.5 | 94.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L63 G67 C68 L132 | L63-G65 PolarHBondContact O-N 2.86Å; G65-G67 PolarHBondContact O-N 3.28Å; G65-C68 PolarHBondContact O-N 2.83Å; G65-L132 VanDerWaalsContact CA-O 3.27Å; G65-L132 WeakPolarHBondContact CA-O 3.1Å; G65-L132 PolarHBondContact N-O 3.37Å | ||
| 66 | T | 64.5 | Low | 77.2 | Confident | 86 Ų | 86 | 40.8 Ų | 40.8 | 53% | 0.528 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22.3 | 172.6 | 56.8 | 0 | 0 | 0 | 0 | 113.2 | V64 W137 | V64-T66 PolarHBondContact O-N 3.08Å; T66-W137 HydrophobicContact CG2-CH2 4.5Å; T66-W137 HydrophobicContact CG2-CZ2 4.4Å |
| 67 | G | 68 | Low | 76.5 | Confident | 30 Ų | 30 | 38.1 Ų | 38.1 | 31% | 0.309 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 2.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | I8 G65 | I8-G67 VanDerWaalsContact O-O 3.08Å; G65-G67 PolarHBondContact O-N 3.28Å |
| 68 | C | 67.7 | Low | 75.6 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 5% | 0.054 | 23% | 0.23 | C | C | . | . | trans | -109.1 | 124.9 | -176.8 | -72.8 | 0 | 0 | 0 | 0 | 111.7 | L9 G65 K70 K131 G133 M134 | L9-C68 WeakPolarHBondContact CD2-SG 3.34Å; G65-C68 PolarHBondContact O-N 2.83Å; C68-K70 VanDerWaalsContact C-N 3.33Å; C68-K131 WeakPolarHBondContact SG-CE 3.33Å; C68-K131 PolarHBondContact SG-NZ 3.41Å; C68-G133 CarbonylContact O-C 3.51Å; C68-G133 WeakPolarHBondContact O-CA 3.45Å; C68-M134 WeakPolarHBondContact O-CG 3.41Å; C68-M134 PolarHBondContact O-N 3.34Å | ||
| 69 | S | 70.7 | Confident | 74.5 | Confident | 62 Ų | 62 | 47 Ų | 47 | 43% | 0.434 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -74.1 | -24.6 | 176.2 | 60.5 | 0 | 0 | 0 | 0 | 113.3 | N135 | S69-N135 PolarHBondContact O-N 3.39Š|
| 70 | K | 77.9 | Confident | 73.2 | Confident | 97 Ų | 97 | 45.5 Ų | 45.5 | 42% | 0.422 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -125.4 | 148.8 | -179.7 | -61.8 | -62.2 | -177.7 | -172.3 | 0 | 110.9 | C68 N135 | C68-K70 VanDerWaalsContact C-N 3.33Å; K70-N135 WeakPolarHBondContact CA-OD1 3.42Å |
| 71 | C | 83 | Confident | 72.2 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 146.8 | 167.5 | -66.9 | 0 | 0 | 0 | 0 | 110.3 | V116 A118 T119 F130 K131 G133 N135 V136 | C71-V116 HydrophobicContact CB-CG2 4.46Å; C71-A118 HydrophobicContact CB-CB 3.56Å; C71-A118 CarbonylContact O-C 3.58Å; C71-A118 VanDerWaalsContact O-CA 3.25Å; C71-A118 WeakPolarHBondContact O-CA 3.33Å; C71-T119 PolarHBondContact O-N 3.29Å; C71-F130 HydrophobicContact CB-CE1 4.06Å; C71-F130 HydrophobicContact CB-CZ 3.67Å; C71-K131 CarbonylContact C-O 3.48Å; C71-K131 VanDerWaalsContact CA-O 3.23Å; C71-K131 WeakPolarHBondContact CA-O 3.25Å; C71-G133 PolarHBondContact SG-N 2.84Å; C71-N135 PolarHBondContact N-OD1 3.47Å; C71-N135 PolarHBondContact SG-OD1 2.81Å; C71-V136 WeakPolarHBondContact SG-CG2 3.45Å |
| 72 | V | 80.1 | Confident | 70.7 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.024 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 127.1 | 173.2 | -170.7 | 0 | 0 | 0 | 0 | 107.5 | L88 T119 A121 L125 F130 K131 | V72-L88 HydrophobicContact CG1-CD1 4.31Å; V72-L88 HydrophobicContact CG2-CD1 4.38Å; V72-T119 CarbonylContact C-O 3.58Å; V72-T119 VanDerWaalsContact CA-O 3.27Å; V72-T119 WeakPolarHBondContact CA-O 3.31Å; V72-T119 WeakPolarHBondContact CG1-O 3.28Å; V72-A121 HydrophobicContact CG1-CB 3.76Å; V72-L125 HydrophobicContact CB-CD1 3.64Å; V72-L125 HydrophobicContact CG1-CD1 3.69Å; V72-L125 HydrophobicContact CG1-CD2 4.05Å; V72-L125 HydrophobicContact CG1-CG 4.39Å; V72-L125 WeakPolarHBondContact O-CD1 3.45Å; V72-F130 CarbonylContact O-C 3.46Å; V72-F130 WeakPolarHBondContact O-CA 3.27Å; V72-K131 PolarHBondContact N-O 3.01Å; V72-K131 PolarHBondContact O-N 2.86Å |
| 73 | A | 80.4 | Confident | 69.3 | Low | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 143.6 | 176 | 0 | 0 | 0 | 0 | 0 | 108.9 | C77 W81 T119 L120 A121 F130 | A73-C77 HydrophobicContact CB-CB 4.11Å; A73-W81 HydrophobicContact CB-CH2 3.54Å; A73-W81 HydrophobicContact CB-CZ2 3.8Å; A73-T119 PolarHBondContact N-O 2.88Å; A73-L120 HydrophobicContact CB-CD1 4.3Å; A73-L120 CarbonylContact O-C 3.52Å; A73-L120 WeakPolarHBondContact O-CA 3.45Å; A73-A121 PolarHBondContact O-N 3.13Å; A73-F130 HydrophobicContact CB-CD2 3.6Å; A73-F130 HydrophobicContact CB-CE2 3.81Å |
| 74 | H | 78.8 | Confident | 67.6 | Low | 27 Ų | 27 | 54.2 Ų | 54.2 | 13% | 0.125 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 153.4 | 169.5 | -178.5 | -133.9 | 0 | 0 | 0 | 110.1 | S76 C77 L120 A121 E122 D129 | H74-S76 WeakPolarHBondContact ND1-CB 3.36Å; H74-S76 PolarHBondContact ND1-OG 3.19Å; H74-S76 PolarHBondContact O-N 3.33Å; H74-C77 WeakPolarHBondContact O-CB 3.46Å; H74-C77 PolarHBondContact O-N 3.24Å; H74-L120 WeakPolarHBondContact O-CD1 3.43Å; H74-A121 CarbonylContact C-O 3.46Å; H74-A121 WeakPolarHBondContact CA-O 3.49Å; H74-A121 PolarHBondContact CD2-O 2.7Å; H74-E122 PolarHBondContact NE2-O 2.83Å; H74-D129 HydrophobicContact CB-CB 4.29Å; H74-D129 WeakPolarHBondContact CB-O 3.12Å; H74-D129 IonicContact CG-OD1 3.81Å; H74-D129 PolarHBondContact N-O 2.91Å; H74-D129 IonicContact ND1-OD1 3.1Å; H74-D129 PolarHBondContact ND1-OD1 2.99Å; H74-D129 VanDerWaalsContact ND1-OD1 3.1Å |
| 75 | A | 70.9 | Confident | 65.9 | Low | 29 Ų | 29 | 64.1 Ų | 64.1 | 24% | 0.24 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -53.8 | -20.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | C77 R78 A121 | A75-C77 PolarHBondContact O-N 2.88Å; A75-R78 WeakPolarHBondContact O-CB 3.19Å; A75-R78 PolarHBondContact O-N 3.34Å; A75-A121 PolarHBondContact N-O 2.78Å |
| 76 | S | 70.8 | Confident | 64.9 | Low | 59 Ų | 59 | 65.7 Ų | 65.7 | 41% | 0.413 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -63.2 | -18.7 | 171.8 | 65.8 | 0 | 0 | 0 | 0 | 114.3 | H74 D129 | H74-S76 WeakPolarHBondContact ND1-CB 3.36Å; H74-S76 PolarHBondContact ND1-OG 3.19Å; H74-S76 PolarHBondContact O-N 3.33Å; S76-D129 VanDerWaalsContact OG-CG 3.29Å; S76-D129 PolarHBondContact OG-OD1 3.09Å |
| 77 | C | 68.2 | Low | 64 | Low | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.034 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -92 | 12.6 | -179.4 | -62.6 | 0 | 0 | 0 | 0 | 113.9 | A73 H74 A75 E79 W81 | A73-C77 HydrophobicContact CB-CB 4.11Å; H74-C77 WeakPolarHBondContact O-CB 3.46Å; H74-C77 PolarHBondContact O-N 3.24Å; A75-C77 PolarHBondContact O-N 2.88Å; C77-E79 VanDerWaalsContact C-N 3.33Å; C77-E79 PolarHBondContact O-N 2.84Å; C77-E79 VanDerWaalsContact O-N 3.09Å; C77-W81 PolarHBondContact O-NE1 2.8Å; C77-W81 VanDerWaalsContact O-NE1 3.11Å |
| 78 | R | 64.7 | Low | 63.1 | Low | 119 Ų | 119 | 64.8 Ų | 64.8 | 45% | 0.449 | 34% | 0.344 | S | S | . | . | trans | -74.7 | 10.5 | -159.1 | -175.5 | 174.3 | 179.7 | 169.2 | 10.4 | 117.6 | A75 G80 W81 E99 L120 | A75-R78 WeakPolarHBondContact O-CB 3.19Å; A75-R78 PolarHBondContact O-N 3.34Å; R78-G80 PolarHBondContact O-N 3.43Å; R78-W81 HydrophobicContact CG-CB 4.22Å; R78-W81 PolarHBondContact O-N 2.83Å; R78-E99 IonicContact CZ-OE2 3.19Å; R78-E99 IonicContact NE-OE2 3.86Å; R78-E99 IonicContact NH1-OE1 3.7Å; R78-E99 IonicContact NH1-OE2 2.69Å; R78-E99 PolarHBondContact NH1-OE2 3.42Å; R78-E99 IonicContact NH2-OE2 3.68Å; R78-L120 HydrophobicContact CB-CD2 4.46Å; R78-L120 HydrophobicContact CG-CD2 4.13Å | ||
| 79 | E | 59.8 | Low | 62.1 | Low | 161 Ų | 161 | 67.3 Ų | 67.3 | 75% | 0.752 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 109.1 | 179.9 | -70.6 | -171.4 | -175.6 | 0 | 0 | 111.5 | C77 | C77-E79 VanDerWaalsContact C-N 3.33Å; C77-E79 PolarHBondContact O-N 2.84Å; C77-E79 VanDerWaalsContact O-N 3.09Å |
| 80 | G | 55.8 | Low | 61.3 | Low | 86 Ų | 86 | 68.2 Ų | 68.2 | 89% | 0.887 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.7 | 8.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | R78 | R78-G80 PolarHBondContact O-N 3.43Š|
| 81 | W | 62.3 | Low | 59.7 | Low | 25 Ų | 25 | 70.2 Ų | 70.2 | 10% | 0.095 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 136.3 | -171.6 | -65.8 | 55.2 | 0 | 0 | 0 | 114.6 | A73 C77 R78 G102 V104 A118 L120 | A73-W81 HydrophobicContact CB-CH2 3.54Å; A73-W81 HydrophobicContact CB-CZ2 3.8Å; C77-W81 PolarHBondContact O-NE1 2.8Å; C77-W81 VanDerWaalsContact O-NE1 3.11Å; R78-W81 HydrophobicContact CG-CB 4.22Å; R78-W81 PolarHBondContact O-N 2.83Å; W81-G102 VanDerWaalsContact CZ3-N 3.31Å; W81-V104 HydrophobicContact CH2-CG2 3.32Å; W81-V104 HydrophobicContact CZ2-CB 4.34Å; W81-V104 HydrophobicContact CZ2-CG2 3.07Å; W81-V104 HydrophobicContact CZ3-CG2 4.42Å; W81-A118 HydrophobicContact CH2-CB 3.66Å; W81-A118 HydrophobicContact CZ3-CB 4.26Å; W81-A118 WeakPolarHBondContact CZ3-O 3.09Å; W81-L120 HydrophobicContact CD2-CD1 4.33Å; W81-L120 HydrophobicContact CE3-CB 3.97Å; W81-L120 HydrophobicContact CE3-CD1 4.15Å; W81-L120 HydrophobicContact CE3-CG 4.47Å; W81-L120 HydrophobicContact CH2-CD1 4.19Å; W81-L120 HydrophobicContact CZ2-CD1 4.35Å; W81-L120 HydrophobicContact CZ3-CB 3.9Å; W81-L120 HydrophobicContact CZ3-CD1 4.13Å |
| 82 | R | 48.8 | Very low | 58.4 | Low | 217 Ų | 217 | 75.3 Ų | 75.3 | 82% | 0.819 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -86.9 | 122.3 | 170.5 | -172.3 | -179.7 | -72.5 | -111.9 | 2 | 110.2 | ||
| 83 | G | 49.8 | Very low | 57.2 | Low | 53 Ų | 53 | 77.6 Ų | 77.6 | 55% | 0.546 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 138.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E99 | G83-E99 CarbonylContact C-O 3.51Å; G83-E99 WeakPolarHBondContact CA-O 3.25Å |
| 84 | A | 45.5 | Very low | 55.9 | Low | 41 Ų | 41 | 83 Ų | 83 | 34% | 0.339 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 115.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | I86 E99 G100 | A84-I86 PolarHBondContact O-N 2.84Å; A84-I86 VanDerWaalsContact O-N 3.16Å; A84-E99 CarbonylContact C-O 3.48Å; A84-E99 PolarHBondContact N-O 2.8Å; A84-E99 CarbonylContact O-C 3.33Å; A84-G100 VanDerWaalsContact N-CA 3.28Å; A84-G100 WeakPolarHBondContact O-CA 3.35Å; A84-G100 PolarHBondContact O-N 3.05Å |
| 85 | R | 46.3 | Very low | 54.9 | Low | 234 Ų | 234 | 88 Ų | 88 | 88% | 0.883 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 118.4 | 178.5 | -69.4 | -179.7 | 179.9 | 171.3 | 0.1 | 110.6 | C98 | R85-C98 WeakPolarHBondContact CA-O 3.27Å |
| 86 | I | 49.1 | Very low | 54.3 | Low | 36 Ų | 36 | 88.7 Ų | 88.7 | 19% | 0.185 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135.9 | 172.9 | -61.6 | 163.6 | 0 | 0 | 0 | 107.6 | A84 C98 T101 T119 | A84-I86 PolarHBondContact O-N 2.84Å; A84-I86 VanDerWaalsContact O-N 3.16Å; I86-C98 HydrophobicContact CB-CB 3.89Å; I86-C98 PolarHBondContact N-O 3.06Å; I86-C98 VanDerWaalsContact N-O 3.17Å; I86-C98 WeakPolarHBondContact O-CA 3.43Å; I86-C98 WeakPolarHBondContact O-CB 3.48Å; I86-C98 PolarHBondContact O-N 3.1Å; I86-C98 PolarHBondContact O-SG 2.88Å; I86-T101 HydrophobicContact CD1-CG2 3.18Å; I86-T119 HydrophobicContact CD1-CG2 4.37Å |
| 87 | N | 44.6 | Very low | 53.5 | Low | 88 Ų | 88 | 95.5 Ų | 95.5 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 125.1 | 172.5 | -64.2 | -15.8 | 0 | 0 | 0 | 108 | ||
| 88 | L | 49 | Very low | 53.1 | Low | 9 Ų | 9 | 95.4 Ų | 95.4 | 5% | 0.047 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122.1 | 167.2 | -78.1 | 175.7 | 0 | 0 | 0 | 108.4 | C6 V72 E95 F96 C98 T119 | C6-L88 HydrophobicContact CB-CD2 4.1Å; C6-L88 VanDerWaalsContact SG-CD2 3.59Å; V72-L88 HydrophobicContact CG1-CD1 4.31Å; V72-L88 HydrophobicContact CG2-CD1 4.38Å; L88-E95 CarbonylContact O-C 3.51Å; L88-E95 WeakPolarHBondContact O-CA 3.14Å; L88-F96 HydrophobicContact CB-CB 4.35Å; L88-F96 PolarHBondContact N-O 2.82Å; L88-F96 PolarHBondContact O-N 3.36Å; L88-C98 WeakPolarHBondContact CD1-SG 3.44Å; L88-C98 WeakPolarHBondContact CG-SG 3.24Å; L88-T119 HydrophobicContact CD1-CG2 4.15Å; L88-T119 HydrophobicContact CG-CG2 4.48Å |
| 89 | T | 48.6 | Very low | 53 | Low | 61 Ų | 61 | 92.1 Ų | 92.1 | 37% | 0.374 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 118.7 | 175.6 | -47.3 | 0 | 0 | 0 | 0 | 108.9 | ||
| 90 | K | 53 | Low | 53.4 | Low | 82 Ų | 82 | 84.5 Ų | 84.5 | 36% | 0.357 | 44% | 0.437 | S | S | . | . | B | Isolated β-bridge | trans | -69.7 | 160.7 | 166.2 | -84.4 | -170.3 | -165.1 | 166.5 | 0 | 109.5 | D92 G93 M94 F96 | K90-D92 WeakPolarHBondContact CB-OD1 3.16Å; K90-D92 PolarHBondContact O-N 3.02Å; K90-G93 PolarHBondContact O-N 2.95Å; K90-M94 WeakPolarHBondContact CB-O 3.46Å; K90-M94 PolarHBondContact N-O 3.04Å; K90-F96 HydrophobicContact CB-CD2 4.29Å; K90-F96 HydrophobicContact CB-CE2 3.97Å; K90-F96 HydrophobicContact CD-CD2 3.85Å; K90-F96 HydrophobicContact CD-CE2 3.12Å; K90-F96 HydrophobicContact CD-CZ 3.65Å; K90-F96 HydrophobicContact CG-CD2 3.59Å; K90-F96 HydrophobicContact CG-CE2 3.36Å; K90-F96 HydrophobicContact CG-CZ 4.35Å |
| 91 | M | 44.2 | Very low | 54.1 | Low | 138 Ų | 138 | 82.2 Ų | 82.2 | 68% | 0.68 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21.3 | -178.2 | -166.2 | 175.9 | 175.9 | 0 | 0 | 113.4 | G93 | M91-G93 PolarHBondContact O-N 3.42Š|
| 92 | D | 56.2 | Low | 54.7 | Low | 108 Ų | 108 | 81.5 Ų | 81.5 | 58% | 0.578 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 2.4 | 171.5 | 59.7 | 2.4 | 0 | 0 | 0 | 113.2 | K90 M94 | K90-D92 WeakPolarHBondContact CB-OD1 3.16Å; K90-D92 PolarHBondContact O-N 3.02Å; D92-M94 HydrophobicContact CB-CG 4.34Å; D92-M94 PolarHBondContact O-N 3.5Å; D92-M94 WeakPolarHBondContact OD1-CB 3.23Å; D92-M94 WeakPolarHBondContact OD1-CG 3.35Å; D92-M94 PolarHBondContact OD1-N 2.76Å; D92-M94 WeakPolarHBondContact OD2-CG 3.47Å |
| 93 | G | 54.9 | Low | 56.2 | Low | 51 Ų | 51 | 77.6 Ų | 77.6 | 53% | 0.526 | 40% | 0.395 | S | S | . | . | S | Bend | trans | 79.5 | -1.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K90 M91 E95 | K90-G93 PolarHBondContact O-N 2.95Å; M91-G93 PolarHBondContact O-N 3.42Å; G93-E95 PolarHBondContact O-N 3.23Å |
| 94 | M | 52.1 | Low | 57.7 | Low | 115 Ų | 115 | 75.1 Ų | 75.1 | 57% | 0.567 | 37% | 0.369 | S | S | * | . | trans | -74.3 | 122 | 178.9 | -61.8 | -73.6 | -95 | 0 | 0 | 109.5 | K90 D92 F96 | K90-M94 WeakPolarHBondContact CB-O 3.46Å; K90-M94 PolarHBondContact N-O 3.04Å; D92-M94 HydrophobicContact CB-CG 4.34Å; D92-M94 PolarHBondContact O-N 3.5Å; D92-M94 WeakPolarHBondContact OD1-CB 3.23Å; D92-M94 WeakPolarHBondContact OD1-CG 3.35Å; D92-M94 PolarHBondContact OD1-N 2.76Å; D92-M94 WeakPolarHBondContact OD2-CG 3.47Å; M94-F96 HydrophobicContact CB-CE2 3.86Å; M94-F96 HydrophobicContact CB-CZ 4.42Å; M94-F96 WeakPolarHBondContact O-CD2 3.44Å | ||
| 95 | E | 57.4 | Low | 59.5 | Low | 130 Ų | 130 | 79.8 Ų | 79.8 | 61% | 0.607 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 132.5 | 175.2 | -63.7 | -169.6 | 153.1 | 0 | 0 | 110.9 | L88 G93 | L88-E95 CarbonylContact O-C 3.51Å; L88-E95 WeakPolarHBondContact O-CA 3.14Å; G93-E95 PolarHBondContact O-N 3.23Å |
| 96 | F | 58.4 | Low | 61.4 | Low | 44 Ų | 44 | 68.6 Ų | 68.6 | 19% | 0.193 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 127.4 | 170.8 | -70.2 | -92.5 | 0 | 0 | 0 | 108.5 | L88 K90 M94 C98 T123 | L88-F96 HydrophobicContact CB-CB 4.35Å; L88-F96 PolarHBondContact N-O 2.82Å; L88-F96 PolarHBondContact O-N 3.36Å; K90-F96 HydrophobicContact CB-CD2 4.29Å; K90-F96 HydrophobicContact CB-CE2 3.97Å; K90-F96 HydrophobicContact CD-CD2 3.85Å; K90-F96 HydrophobicContact CD-CE2 3.12Å; K90-F96 HydrophobicContact CD-CZ 3.65Å; K90-F96 HydrophobicContact CG-CD2 3.59Å; K90-F96 HydrophobicContact CG-CE2 3.36Å; K90-F96 HydrophobicContact CG-CZ 4.35Å; M94-F96 HydrophobicContact CB-CE2 3.86Å; M94-F96 HydrophobicContact CB-CZ 4.42Å; M94-F96 WeakPolarHBondContact O-CD2 3.44Å; F96-C98 PolarHBondContact O-N 2.81Å; F96-T123 HydrophobicContact CE1-CG2 4.28Å |
| 97 | R | 54.4 | Low | 63.1 | Low | 202 Ų | 202 | 70 Ų | 70 | 76% | 0.762 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 124 | 171.2 | -69.3 | -177.6 | -179.1 | 170.1 | 2.4 | 108.4 | ||
| 98 | C | 61.1 | Low | 65 | Low | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.02 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 135.3 | 168.3 | -56.9 | 0 | 0 | 0 | 0 | 108.6 | R85 I86 L88 F96 G100 T119 L120 | R85-C98 WeakPolarHBondContact CA-O 3.27Å; I86-C98 HydrophobicContact CB-CB 3.89Å; I86-C98 PolarHBondContact N-O 3.06Å; I86-C98 VanDerWaalsContact N-O 3.17Å; I86-C98 WeakPolarHBondContact O-CA 3.43Å; I86-C98 WeakPolarHBondContact O-CB 3.48Å; I86-C98 PolarHBondContact O-N 3.1Å; I86-C98 PolarHBondContact O-SG 2.88Å; L88-C98 WeakPolarHBondContact CD1-SG 3.44Å; L88-C98 WeakPolarHBondContact CG-SG 3.24Å; F96-C98 PolarHBondContact O-N 2.81Å; C98-G100 VanDerWaalsContact C-N 3.33Å; C98-T119 HydrophobicContact CB-CG2 3.52Å; C98-T119 WeakPolarHBondContact SG-CG2 2.97Å; C98-L120 CarbonylContact C-O 3.53Å; C98-L120 WeakPolarHBondContact CA-O 3.48Å; C98-L120 WeakPolarHBondContact CB-O 3.48Å |
| 99 | E | 62.3 | Low | 66.4 | Low | 51 Ų | 51 | 71.4 Ų | 71.4 | 24% | 0.238 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -23.9 | 178.7 | -78.4 | -167.7 | 177.1 | 0 | 0 | 112.6 | R78 G83 A84 L120 E122 | R78-E99 IonicContact CZ-OE2 3.19Å; R78-E99 IonicContact NE-OE2 3.86Å; R78-E99 IonicContact NH1-OE1 3.7Å; R78-E99 IonicContact NH1-OE2 2.69Å; R78-E99 PolarHBondContact NH1-OE2 3.42Å; R78-E99 IonicContact NH2-OE2 3.68Å; G83-E99 CarbonylContact C-O 3.51Å; G83-E99 WeakPolarHBondContact CA-O 3.25Å; A84-E99 CarbonylContact C-O 3.48Å; A84-E99 PolarHBondContact N-O 2.8Å; A84-E99 CarbonylContact O-C 3.33Å; E99-L120 HydrophobicContact CB-CB 4.44Å; E99-L120 HydrophobicContact CB-CD2 3.93Å; E99-L120 HydrophobicContact CB-CG 4.4Å; E99-L120 PolarHBondContact N-O 2.82Å; E99-E122 HydrophobicContact CG-CG 3.61Å; E99-E122 WeakPolarHBondContact CG-OE1 3.23Å |
| 100 | G | 66.9 | Low | 67.8 | Low | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | 169 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | A84 C98 T119 L120 | A84-G100 VanDerWaalsContact N-CA 3.28Å; A84-G100 WeakPolarHBondContact O-CA 3.35Å; A84-G100 PolarHBondContact O-N 3.05Å; C98-G100 VanDerWaalsContact C-N 3.33Å; G100-T119 CarbonylContact O-C 3.36Å; G100-T119 WeakPolarHBondContact O-CA 3.14Å; G100-L120 PolarHBondContact O-N 2.9Å |
| 101 | T | 71.6 | Confident | 69.1 | Low | 38 Ų | 38 | 72.7 Ų | 72.7 | 23% | 0.233 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 138.4 | 150.9 | 48.5 | 0 | 0 | 0 | 0 | 109 | I86 A118 | I86-T101 HydrophobicContact CD1-CG2 3.18Å; T101-A118 VanDerWaalsContact CA-O 3.24Å; T101-A118 WeakPolarHBondContact CA-O 3.34Å |
| 102 | G | 74 | Confident | 70.9 | Confident | 9 Ų | 9 | 72.6 Ų | 72.6 | 9% | 0.093 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 178.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | W81 K117 A118 | W81-G102 VanDerWaalsContact CZ3-N 3.31Å; G102-K117 CarbonylContact O-C 3.21Å; G102-K117 WeakPolarHBondContact O-CA 3.46Å; G102-A118 PolarHBondContact N-O 2.85Å; G102-A118 PolarHBondContact O-N 3.47Å |
| 103 | F | 81 | Confident | 72.3 | Confident | 136 Ų | 136 | 69.5 Ų | 69.5 | 60% | 0.596 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 143.9 | 168.7 | -70.3 | -86.1 | 0 | 0 | 0 | 108.7 | V116 K117 | F103-V116 CarbonylContact C-O 3.59Å; F103-V116 WeakPolarHBondContact CA-O 3.43Å; F103-K117 HydrophobicContact CD1-CB 4.43Å; F103-K117 HydrophobicContact CE1-CB 4.23Å |
| 104 | V | 80.8 | Confident | 73.8 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 125.1 | -179.4 | -163.7 | 0 | 0 | 0 | 0 | 109 | V55 E56 W81 L106 E115 V116 A118 F130 | V55-V104 HydrophobicContact CG1-CG1 3.48Å; V55-V104 VanDerWaalsContact CG1-CG1 3.48Å; E56-V104 HydrophobicContact CG-CG1 4.22Å; E56-V104 WeakPolarHBondContact OE1-CA 3.39Å; E56-V104 WeakPolarHBondContact OE1-CG1 3.45Å; W81-V104 HydrophobicContact CH2-CG2 3.32Å; W81-V104 HydrophobicContact CZ2-CB 4.34Å; W81-V104 HydrophobicContact CZ2-CG2 3.07Å; W81-V104 HydrophobicContact CZ3-CG2 4.42Å; V104-L106 HydrophobicContact CG1-CD2 4.02Å; V104-L106 PolarHBondContact O-N 2.92Å; V104-E115 WeakPolarHBondContact O-CA 3.17Å; V104-V116 HydrophobicContact CB-CG2 4.39Å; V104-V116 PolarHBondContact N-O 3.18Å; V104-V116 PolarHBondContact O-N 3.31Å; V104-A118 HydrophobicContact CG2-CB 3.51Å; V104-F130 HydrophobicContact CB-CE2 4.16Å; V104-F130 HydrophobicContact CG1-CE2 3.85Å; V104-F130 HydrophobicContact CG1-CZ 4.47Å; V104-F130 HydrophobicContact CG2-CE2 4.09Å |
| 105 | R | 84.7 | Confident | 75.3 | Confident | 139 Ų | 139 | 69.4 Ų | 69.4 | 53% | 0.525 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 108.1 | 174.4 | -168.3 | 174.5 | -177.5 | 179.6 | 2.2 | 109.4 | E56 P113 V114 | E56-R105 PolarHBondContact N-O 3.22Å; E56-R105 PolarHBondContact OE1-N 3.1Å; R105-P113 HydrophobicContact CG-CB 3.92Å; R105-P113 VanDerWaalsContact NE-CB 3.34Å; R105-V114 WeakPolarHBondContact CA-O 3.33Å |
| 106 | L | 85.8 | Confident | 76.6 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 141 | 174.7 | -56.5 | -178.3 | 0 | 0 | 0 | 109.9 | M53 R54 V55 V104 P113 V114 V116 F130 L132 V136 W140 | M53-L106 HydrophobicContact SD-CB 4.05Å; M53-L106 HydrophobicContact SD-CD1 4.22Å; M53-L106 HydrophobicContact SD-CD2 4.01Å; M53-L106 HydrophobicContact SD-CG 4.33Å; R54-L106 CarbonylContact O-C 3.58Å; R54-L106 WeakPolarHBondContact O-CA 3.45Å; V55-L106 HydrophobicContact CB-CD2 4.39Å; V55-L106 HydrophobicContact CG1-CD2 4.15Å; V55-L106 HydrophobicContact CG2-CD2 3.95Å; V104-L106 HydrophobicContact CG1-CD2 4.02Å; V104-L106 PolarHBondContact O-N 2.92Å; L106-P113 CarbonylContact O-C 3.55Å; L106-P113 WeakPolarHBondContact O-CA 3.34Å; L106-V114 HydrophobicContact CB-CG2 4.13Å; L106-V114 PolarHBondContact N-O 3.28Å; L106-V114 PolarHBondContact O-N 2.8Å; L106-V116 HydrophobicContact CD1-CB 4.42Å; L106-V116 HydrophobicContact CD1-CG1 4.11Å; L106-V116 HydrophobicContact CD1-CG2 3.43Å; L106-V116 VanDerWaalsContact CD1-CG2 3.43Å; L106-V116 HydrophobicContact CG-CG2 3.84Å; L106-F130 HydrophobicContact CD1-CE1 4.23Å; L106-F130 HydrophobicContact CD1-CZ 4.21Å; L106-F130 HydrophobicContact CD2-CE1 4Å; L106-F130 HydrophobicContact CD2-CE2 4.23Å; L106-F130 HydrophobicContact CD2-CZ 3.75Å; L106-F130 HydrophobicContact CG-CZ 4.47Å; L106-L132 HydrophobicContact CD1-CD2 3.69Å; L106-V136 HydrophobicContact CD1-CG1 4.32Å; L106-V136 HydrophobicContact CD1-CG2 3.82Å; L106-W140 HydrophobicContact CB-CH2 3.49Å; L106-W140 VanDerWaalsContact CB-CH2 3.49Å; L106-W140 HydrophobicContact CB-CZ3 3.84Å; L106-W140 HydrophobicContact CD1-CZ3 4.29Å; L106-W140 WeakPolarHBondContact O-CH2 3.22Å |
| 107 | Q | 84.6 | Confident | 77.8 | Confident | 64 Ų | 64 | 66 Ų | 66 | 30% | 0.299 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 112 | 172.4 | 177.4 | -178.5 | 35 | 0 | 0 | 110.9 | M53 R54 P113 | M53-Q107 WeakPolarHBondContact CB-O 3.37Å; R54-Q107 HydrophobicContact CB-CB 4.14Å; R54-Q107 PolarHBondContact N-O 2.84Å; R54-Q107 PolarHBondContact O-N 3.4Å; Q107-P113 HydrophobicContact CB-CB 4.21Å; Q107-P113 HydrophobicContact CB-CG 4.15Å; Q107-P113 HydrophobicContact CG-CG 4.08Å |
| 108 | L | 83.2 | Confident | 79.1 | Confident | 35 Ų | 35 | 56.3 Ų | 56.3 | 18% | 0.183 | 31% | 0.309 | C | S | . | . | trans | -79.7 | 147.2 | 168.2 | -166 | 68.7 | 0 | 0 | 0 | 110 | V51 M53 G110 R111 W140 | V51-L108 HydrophobicContact CG2-CD1 3.75Å; M53-L108 HydrophobicContact CB-CD1 4.2Å; L108-G110 PolarHBondContact O-N 3.19Å; L108-R111 HydrophobicContact CB-CB 4.18Å; L108-R111 HydrophobicContact CB-CG 4.15Å; L108-R111 HydrophobicContact CD2-CG 4.34Å; L108-R111 PolarHBondContact O-N 2.95Å; L108-W140 HydrophobicContact CB-CH2 4.23Å; L108-W140 HydrophobicContact CB-CZ2 4.22Å | ||
| 109 | A | 78.8 | Confident | 80 | Confident | 92 Ų | 92 | 56.4 Ų | 56.4 | 76% | 0.76 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 131.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | R111 | A109-R111 PolarHBondContact O-N 3.5Š|
| 110 | G | 79.2 | Confident | 80.7 | Confident | 96 Ų | 96 | 54.1 Ų | 54.1 | 99% | 0.99 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L108 | L108-G110 PolarHBondContact O-N 3.19Š|
| 111 | R | 78.6 | Confident | 81 | Confident | 74 Ų | 74 | 54.2 Ų | 54.2 | 28% | 0.279 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -114.5 | 153.2 | 176.1 | -60.4 | -164.8 | 175.2 | -82.5 | -24.3 | 112.2 | L108 A109 W140 V142 | L108-R111 HydrophobicContact CB-CB 4.18Å; L108-R111 HydrophobicContact CB-CG 4.15Å; L108-R111 HydrophobicContact CD2-CG 4.34Å; L108-R111 PolarHBondContact O-N 2.95Å; A109-R111 PolarHBondContact O-N 3.5Å; R111-W140 HydrophobicContact CB-CZ2 4.46Å; R111-W140 VanDerWaalsContact CD-CD1 3.45Å; R111-V142 VanDerWaalsContact CZ-CB 3.48Å |
| 112 | N | 82.4 | Confident | 80.8 | Confident | 137 Ų | 137 | 57.4 Ų | 57.4 | 73% | 0.733 | 31% | 0.312 | S | S | * | . | trans | -63.6 | 142.1 | 168 | -70 | -29.2 | 0 | 0 | 0 | 109.9 | W140 | N112-W140 PolarHBondContact O-NE1 3.41Š| ||
| 113 | P | 86 | Confident | 80.4 | Confident | 42 Ų | 42 | 60.2 Ų | 60.2 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | trans | -59.1 | 144.4 | 172.4 | -22.2 | 32.9 | 0 | 0 | 0 | 111.6 | R105 L106 Q107 | R105-P113 HydrophobicContact CG-CB 3.92Å; R105-P113 VanDerWaalsContact NE-CB 3.34Å; L106-P113 CarbonylContact O-C 3.55Å; L106-P113 WeakPolarHBondContact O-CA 3.34Å; Q107-P113 HydrophobicContact CB-CB 4.21Å; Q107-P113 HydrophobicContact CB-CG 4.15Å; Q107-P113 HydrophobicContact CG-CG 4.08Å | ||
| 114 | V | 85.8 | Confident | 79.7 | Confident | 25 Ų | 25 | 59 Ų | 59 | 15% | 0.152 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 143.6 | 175.6 | -57.9 | 0 | 0 | 0 | 0 | 109.4 | R105 L106 V116 C139 W140 | R105-V114 WeakPolarHBondContact CA-O 3.33Å; L106-V114 HydrophobicContact CB-CG2 4.13Å; L106-V114 PolarHBondContact N-O 3.28Å; L106-V114 PolarHBondContact O-N 2.8Å; V114-V116 HydrophobicContact CG2-CG1 4.13Å; V114-C139 HydrophobicContact CB-CB 3.96Å; V114-C139 HydrophobicContact CG1-CB 4Å; V114-C139 HydrophobicContact CG2-CB 3.98Å; V114-W140 HydrophobicContact CB-CZ2 4.26Å; V114-W140 HydrophobicContact CG1-CD2 4.43Å; V114-W140 HydrophobicContact CG1-CZ2 3.96Å; V114-W140 HydrophobicContact CG2-CD2 4.08Å; V114-W140 HydrophobicContact CG2-CE3 4.08Å; V114-W140 HydrophobicContact CG2-CH2 3.5Å; V114-W140 HydrophobicContact CG2-CZ2 3.46Å; V114-W140 VanDerWaalsContact CG2-CZ2 3.46Å; V114-W140 HydrophobicContact CG2-CZ3 3.79Å |
| 115 | E | 85.3 | Confident | 79.1 | Confident | 140 Ų | 140 | 60.3 Ų | 60.3 | 65% | 0.654 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 125.1 | 173.6 | -67.7 | -176.3 | 127.2 | 0 | 0 | 109.5 | V104 | V104-E115 WeakPolarHBondContact O-CA 3.17Å |
| 116 | V | 83.5 | Confident | 78.3 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.024 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 141 | 178.3 | -57.3 | 0 | 0 | 0 | 0 | 110.5 | C71 F103 V104 L106 V114 A118 F130 V136 | C71-V116 HydrophobicContact CB-CG2 4.46Å; F103-V116 CarbonylContact C-O 3.59Å; F103-V116 WeakPolarHBondContact CA-O 3.43Å; V104-V116 HydrophobicContact CB-CG2 4.39Å; V104-V116 PolarHBondContact N-O 3.18Å; V104-V116 PolarHBondContact O-N 3.31Å; L106-V116 HydrophobicContact CD1-CB 4.42Å; L106-V116 HydrophobicContact CD1-CG1 4.11Å; L106-V116 HydrophobicContact CD1-CG2 3.43Å; L106-V116 VanDerWaalsContact CD1-CG2 3.43Å; L106-V116 HydrophobicContact CG-CG2 3.84Å; V114-V116 HydrophobicContact CG2-CG1 4.13Å; V116-A118 PolarHBondContact O-N 2.98Å; V116-F130 HydrophobicContact CG2-CZ 4.49Å; V116-V136 HydrophobicContact CB-CG2 4.18Å; V116-V136 HydrophobicContact CG1-CB 4.4Å; V116-V136 HydrophobicContact CG1-CG2 3.77Å; V116-V136 HydrophobicContact CG2-CG2 4.07Å |
| 117 | K | 83.2 | Confident | 77.6 | Confident | 97 Ų | 97 | 66.1 Ų | 66.1 | 42% | 0.422 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 124.9 | 171.2 | -171 | 171.5 | -177 | 172.6 | 0 | 109.8 | G102 F103 N135 | G102-K117 CarbonylContact O-C 3.21Å; G102-K117 WeakPolarHBondContact O-CA 3.46Å; F103-K117 HydrophobicContact CD1-CB 4.43Å; F103-K117 HydrophobicContact CE1-CB 4.23Å; K117-N135 PolarHBondContact O-ND2 3Å |
| 118 | A | 82 | Confident | 77 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 157.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | C71 W81 T101 G102 V104 V116 F130 | C71-A118 HydrophobicContact CB-CB 3.56Å; C71-A118 CarbonylContact O-C 3.58Å; C71-A118 VanDerWaalsContact O-CA 3.25Å; C71-A118 WeakPolarHBondContact O-CA 3.33Å; W81-A118 HydrophobicContact CH2-CB 3.66Å; W81-A118 HydrophobicContact CZ3-CB 4.26Å; W81-A118 WeakPolarHBondContact CZ3-O 3.09Å; T101-A118 VanDerWaalsContact CA-O 3.24Å; T101-A118 WeakPolarHBondContact CA-O 3.34Å; G102-A118 PolarHBondContact N-O 2.85Å; G102-A118 PolarHBondContact O-N 3.47Å; V104-A118 HydrophobicContact CG2-CB 3.51Å; V116-A118 PolarHBondContact O-N 2.98Å; A118-F130 HydrophobicContact CB-CE2 4.3Å; A118-F130 HydrophobicContact CB-CZ 4.46Å |
| 119 | T | 80.1 | Confident | 76.8 | Confident | 5 Ų | 5 | 64.9 Ų | 64.9 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 133.2 | 173.4 | -57 | 0 | 0 | 0 | 0 | 109.1 | C71 V72 A73 I86 L88 C98 G100 | C71-T119 PolarHBondContact O-N 3.29Å; V72-T119 CarbonylContact C-O 3.58Å; V72-T119 VanDerWaalsContact CA-O 3.27Å; V72-T119 WeakPolarHBondContact CA-O 3.31Å; V72-T119 WeakPolarHBondContact CG1-O 3.28Å; A73-T119 PolarHBondContact N-O 2.88Å; I86-T119 HydrophobicContact CD1-CG2 4.37Å; L88-T119 HydrophobicContact CD1-CG2 4.15Å; L88-T119 HydrophobicContact CG-CG2 4.48Å; C98-T119 HydrophobicContact CB-CG2 3.52Å; C98-T119 WeakPolarHBondContact SG-CG2 2.97Å; G100-T119 CarbonylContact O-C 3.36Å; G100-T119 WeakPolarHBondContact O-CA 3.14Å |
| 120 | L | 76.9 | Confident | 76.8 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 119.3 | 179 | -163.8 | 67.8 | 0 | 0 | 0 | 109.9 | A73 H74 R78 W81 C98 E99 G100 | A73-L120 HydrophobicContact CB-CD1 4.3Å; A73-L120 CarbonylContact O-C 3.52Å; A73-L120 WeakPolarHBondContact O-CA 3.45Å; H74-L120 WeakPolarHBondContact O-CD1 3.43Å; R78-L120 HydrophobicContact CB-CD2 4.46Å; R78-L120 HydrophobicContact CG-CD2 4.13Å; W81-L120 HydrophobicContact CD2-CD1 4.33Å; W81-L120 HydrophobicContact CE3-CB 3.97Å; W81-L120 HydrophobicContact CE3-CD1 4.15Å; W81-L120 HydrophobicContact CE3-CG 4.47Å; W81-L120 HydrophobicContact CH2-CD1 4.19Å; W81-L120 HydrophobicContact CZ2-CD1 4.35Å; W81-L120 HydrophobicContact CZ3-CB 3.9Å; W81-L120 HydrophobicContact CZ3-CD1 4.13Å; C98-L120 CarbonylContact C-O 3.53Å; C98-L120 WeakPolarHBondContact CA-O 3.48Å; C98-L120 WeakPolarHBondContact CB-O 3.48Å; E99-L120 HydrophobicContact CB-CB 4.44Å; E99-L120 HydrophobicContact CB-CD2 3.93Å; E99-L120 HydrophobicContact CB-CG 4.4Å; E99-L120 PolarHBondContact N-O 2.82Å; G100-L120 PolarHBondContact O-N 2.9Å |
| 121 | A | 73.1 | Confident | 77 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.033 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 138.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V72 A73 H74 A75 T123 | V72-A121 HydrophobicContact CG1-CB 3.76Å; A73-A121 PolarHBondContact O-N 3.13Å; H74-A121 CarbonylContact C-O 3.46Å; H74-A121 WeakPolarHBondContact CA-O 3.49Å; H74-A121 PolarHBondContact CD2-O 2.7Å; A75-A121 PolarHBondContact N-O 2.78Å; A121-T123 VanDerWaalsContact C-N 3.26Å |
| 122 | E | 68.2 | Low | 77.3 | Confident | 105 Ų | 105 | 53.3 Ų | 53.3 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -76.2 | -17.5 | 173.2 | -63.6 | 178.1 | -163.7 | 0 | 0 | 112.3 | H74 E99 | H74-E122 PolarHBondContact NE2-O 2.83Å; E99-E122 HydrophobicContact CG-CG 3.61Å; E99-E122 WeakPolarHBondContact CG-OE1 3.23Å |
| 123 | T | 65.8 | Low | 77.2 | Confident | 68 Ų | 68 | 46.8 Ų | 46.8 | 42% | 0.417 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -101.3 | 133.9 | -179.6 | -46.8 | 0 | 0 | 0 | 0 | 110.2 | F96 A121 | F96-T123 HydrophobicContact CE1-CG2 4.28Å; A121-T123 VanDerWaalsContact C-N 3.26Å |
| 124 | E | 66.1 | Low | 77 | Confident | 111 Ų | 111 | 48.7 Ų | 48.7 | 52% | 0.519 | 23% | 0.231 | S | C | . | . | trans | -58.2 | 142.8 | 171.7 | -67.3 | -177 | 167.9 | 0 | 0 | 111.9 | L126 | E124-L126 PolarHBondContact O-N 2.89Š| ||
| 125 | L | 68.2 | Low | 76.7 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 14% | 0.136 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -97.3 | 86.8 | -174.8 | -58.5 | 172.1 | 0 | 0 | 0 | 109.9 | V72 W127 F128 K131 | V72-L125 HydrophobicContact CB-CD1 3.64Å; V72-L125 HydrophobicContact CG1-CD1 3.69Å; V72-L125 HydrophobicContact CG1-CD2 4.05Å; V72-L125 HydrophobicContact CG1-CG 4.39Å; V72-L125 WeakPolarHBondContact O-CD1 3.45Å; L125-W127 VanDerWaalsContact C-N 3.29Å; L125-W127 PolarHBondContact O-N 3.4Å; L125-F128 WeakPolarHBondContact CB-O 3.29Å; L125-F128 PolarHBondContact N-O 3.3Å; L125-F128 WeakPolarHBondContact O-CB 3.45Å; L125-F128 WeakPolarHBondContact O-CD2 3.37Å; L125-F128 PolarHBondContact O-N 3.26Å; L125-K131 HydrophobicContact CD1-CB 3.62Å |
| 126 | L | 68.4 | Low | 76.2 | Confident | 90 Ų | 90 | 42 Ų | 42 | 47% | 0.471 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 49.4 | -178.4 | -60.3 | 170.6 | 0 | 0 | 0 | 111.4 | L44 L48 L63 E124 F128 | L44-L126 HydrophobicContact CD2-CD1 4.4Å; L48-L126 HydrophobicContact CD1-CD1 4.27Å; L63-L126 HydrophobicContact CD2-CD1 4.24Å; E124-L126 PolarHBondContact O-N 2.89Å; L126-F128 HydrophobicContact CB-CD2 4.42Å; L126-F128 WeakPolarHBondContact O-CD2 3.36Å; L126-F128 WeakPolarHBondContact O-CE2 3.39Å; L126-F128 PolarHBondContact O-N 3.39Å |
| 127 | W | 70.2 | Confident | 75.6 | Confident | 172 Ų | 172 | 46.1 Ų | 46.1 | 65% | 0.652 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 5.4 | -177 | -36.6 | -71 | 0 | 0 | 0 | 115.6 | L44 L125 | L44-W127 HydrophobicContact CD2-CZ3 4.2Å; L125-W127 VanDerWaalsContact C-N 3.29Å; L125-W127 PolarHBondContact O-N 3.4Å |
| 128 | F | 72.7 | Confident | 75 | Confident | 29 Ų | 29 | 49.8 Ų | 49.8 | 13% | 0.127 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -100.3 | 137.3 | 171.5 | -60.4 | -87.2 | 0 | 0 | 0 | 111.2 | L48 T50 D61 L63 L125 L126 F130 | L48-F128 HydrophobicContact CD1-CE2 3.77Å; T50-F128 HydrophobicContact CG2-CE1 3.69Å; T50-F128 HydrophobicContact CG2-CZ 4.29Å; T50-F128 WeakPolarHBondContact OG1-CZ 3.43Å; D61-F128 HydrophobicContact CB-CE1 4.43Å; D61-F128 WeakPolarHBondContact O-CD1 3.24Å; L63-F128 HydrophobicContact CB-CB 4.26Å; L63-F128 HydrophobicContact CB-CD1 4.24Å; L63-F128 HydrophobicContact CB-CD2 3.76Å; L63-F128 HydrophobicContact CB-CE2 4.15Å; L63-F128 HydrophobicContact CB-CG 3.82Å; L63-F128 HydrophobicContact CD1-CE2 4.36Å; L63-F128 HydrophobicContact CD2-CD2 4.2Å; L63-F128 HydrophobicContact CG-CD2 4.43Å; L125-F128 WeakPolarHBondContact CB-O 3.29Å; L125-F128 PolarHBondContact N-O 3.3Å; L125-F128 WeakPolarHBondContact O-CB 3.45Å; L125-F128 WeakPolarHBondContact O-CD2 3.37Å; L125-F128 PolarHBondContact O-N 3.26Å; L126-F128 HydrophobicContact CB-CD2 4.42Å; L126-F128 WeakPolarHBondContact O-CD2 3.36Å; L126-F128 WeakPolarHBondContact O-CE2 3.39Å; L126-F128 PolarHBondContact O-N 3.39Å; F128-F130 VanDerWaalsContact C-N 3.26Å; F128-F130 PolarHBondContact O-N 2.95Å |
| 129 | D | 78.1 | Confident | 74.3 | Confident | 44 Ų | 44 | 52.3 Ų | 52.3 | 24% | 0.235 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -76.3 | -13.1 | 170.7 | -76.5 | -46.2 | 0 | 0 | 0 | 112.9 | R60 H74 S76 | R60-D129 IonicContact NH1-OD2 2.88Å; R60-D129 PolarHBondContact NH1-OD2 3.3Å; H74-D129 HydrophobicContact CB-CB 4.29Å; H74-D129 WeakPolarHBondContact CB-O 3.12Å; H74-D129 IonicContact CG-OD1 3.81Å; H74-D129 PolarHBondContact N-O 2.91Å; H74-D129 IonicContact ND1-OD1 3.1Å; H74-D129 PolarHBondContact ND1-OD1 2.99Å; H74-D129 VanDerWaalsContact ND1-OD1 3.1Å; S76-D129 VanDerWaalsContact OG-CG 3.29Å; S76-D129 PolarHBondContact OG-OD1 3.09Å |
| 130 | F | 80.1 | Confident | 73.5 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 140.4 | -177.8 | -163.2 | -85 | 0 | 0 | 0 | 111.9 | V55 I62 L63 C71 V72 A73 V104 L106 V116 A118 F128 L132 | V55-F130 HydrophobicContact CG1-CD2 3.93Å; V55-F130 HydrophobicContact CG1-CE2 4.25Å; V55-F130 HydrophobicContact CG2-CG 4.42Å; I62-F130 HydrophobicContact CD1-CB 4.05Å; I62-F130 HydrophobicContact CD1-CD1 3.71Å; I62-F130 HydrophobicContact CD1-CE1 4.48Å; I62-F130 HydrophobicContact CD1-CG 4.08Å; I62-F130 HydrophobicContact CG1-CB 4.18Å; I62-F130 HydrophobicContact CG1-CD1 4.41Å; I62-F130 HydrophobicContact CG2-CB 4.44Å; I62-F130 HydrophobicContact CG2-CD1 3.69Å; I62-F130 WeakPolarHBondContact CG2-O 3.09Å; L63-F130 PolarHBondContact N-O 3.33Å; C71-F130 HydrophobicContact CB-CE1 4.06Å; C71-F130 HydrophobicContact CB-CZ 3.67Å; V72-F130 CarbonylContact O-C 3.46Å; V72-F130 WeakPolarHBondContact O-CA 3.27Å; A73-F130 HydrophobicContact CB-CD2 3.6Å; A73-F130 HydrophobicContact CB-CE2 3.81Å; V104-F130 HydrophobicContact CB-CE2 4.16Å; V104-F130 HydrophobicContact CG1-CE2 3.85Å; V104-F130 HydrophobicContact CG1-CZ 4.47Å; V104-F130 HydrophobicContact CG2-CE2 4.09Å; L106-F130 HydrophobicContact CD1-CE1 4.23Å; L106-F130 HydrophobicContact CD1-CZ 4.21Å; L106-F130 HydrophobicContact CD2-CE1 4Å; L106-F130 HydrophobicContact CD2-CE2 4.23Å; L106-F130 HydrophobicContact CD2-CZ 3.75Å; L106-F130 HydrophobicContact CG-CZ 4.47Å; V116-F130 HydrophobicContact CG2-CZ 4.49Å; A118-F130 HydrophobicContact CB-CE2 4.3Å; A118-F130 HydrophobicContact CB-CZ 4.46Å; F128-F130 VanDerWaalsContact C-N 3.26Å; F128-F130 PolarHBondContact O-N 2.95Å; F130-L132 HydrophobicContact CE1-CD2 3.91Å; F130-L132 HydrophobicContact CE1-CG 4.36Å |
| 131 | K | 82.7 | Confident | 72.4 | Confident | 17 Ų | 17 | 56.5 Ų | 56.5 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 124.4 | 172.4 | -176.2 | 174.7 | -174.2 | 173.4 | 0 | 110.2 | L9 L63 C68 C71 V72 L125 G133 | L9-K131 HydrophobicContact CD2-CD 4Å; L63-K131 HydrophobicContact CB-CG 4.37Å; L63-K131 HydrophobicContact CD2-CD 4.19Å; L63-K131 HydrophobicContact CD2-CG 4.39Å; L63-K131 HydrophobicContact CG-CG 4.3Å; L63-K131 CarbonylContact O-C 3.53Å; L63-K131 VanDerWaalsContact O-CA 3.28Å; L63-K131 WeakPolarHBondContact O-CA 3.42Å; C68-K131 WeakPolarHBondContact SG-CE 3.33Å; C68-K131 PolarHBondContact SG-NZ 3.41Å; C71-K131 CarbonylContact C-O 3.48Å; C71-K131 VanDerWaalsContact CA-O 3.23Å; C71-K131 WeakPolarHBondContact CA-O 3.25Å; V72-K131 PolarHBondContact N-O 3.01Å; V72-K131 PolarHBondContact O-N 2.86Å; L125-K131 HydrophobicContact CD1-CB 3.62Å; K131-G133 PolarHBondContact O-N 2.74Å |
| 132 | L | 84.1 | Confident | 71.3 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 127.1 | 171.3 | -71.1 | 165.6 | 0 | 0 | 0 | 110.1 | V51 M53 I62 L63 V64 G65 L106 F130 V136 | V51-L132 HydrophobicContact CG1-CD1 3.71Å; M53-L132 HydrophobicContact CE-CD1 3.3Å; M53-L132 HydrophobicContact CE-CD2 3.81Å; M53-L132 HydrophobicContact CE-CG 3.89Å; M53-L132 HydrophobicContact SD-CD2 4.37Å; I62-L132 HydrophobicContact CG2-CB 4.47Å; I62-L132 HydrophobicContact CG2-CD1 4.02Å; I62-L132 HydrophobicContact CG2-CG 3.66Å; L63-L132 PolarHBondContact O-N 3.21Å; V64-L132 HydrophobicContact CG2-CD1 4.02Å; G65-L132 VanDerWaalsContact CA-O 3.27Å; G65-L132 WeakPolarHBondContact CA-O 3.1Å; G65-L132 PolarHBondContact N-O 3.37Å; L106-L132 HydrophobicContact CD1-CD2 3.69Å; F130-L132 HydrophobicContact CE1-CD2 3.91Å; F130-L132 HydrophobicContact CE1-CG 4.36Å; L132-V136 HydrophobicContact CD2-CB 3.96Å; L132-V136 HydrophobicContact CD2-CG1 3.93Å; L132-V136 HydrophobicContact CD2-CG2 3.39Å |
| 133 | G | 81.5 | Confident | 70.4 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -94.8 | 168.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | C68 C71 K131 N135 V136 | C68-G133 CarbonylContact O-C 3.51Å; C68-G133 WeakPolarHBondContact O-CA 3.45Å; C71-G133 PolarHBondContact SG-N 2.84Å; K131-G133 PolarHBondContact O-N 2.74Å; G133-N135 PolarHBondContact O-N 2.87Å; G133-N135 PolarHBondContact O-OD1 3.11Å; G133-V136 PolarHBondContact O-N 2.69Å; G133-V136 VanDerWaalsContact O-N 3.1Å | ||
| 134 | M | 80.8 | Confident | 69.1 | Low | 83 Ų | 83 | 64.4 Ų | 64.4 | 41% | 0.409 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -58.1 | -19.6 | 177.3 | -64.5 | 176.3 | 73.7 | 0 | 0 | 113.5 | C68 V136 W137 | C68-M134 WeakPolarHBondContact O-CG 3.41Å; C68-M134 PolarHBondContact O-N 3.34Å; M134-V136 PolarHBondContact O-N 3.01Å; M134-W137 HydrophobicContact CB-CD2 4.14Å; M134-W137 HydrophobicContact CB-CE3 4.18Å; M134-W137 HydrophobicContact CB-CZ3 4.47Å; M134-W137 HydrophobicContact CE-CE3 4Å; M134-W137 HydrophobicContact CE-CH2 4.23Å; M134-W137 HydrophobicContact CE-CZ3 3.58Å; M134-W137 HydrophobicContact CG-CD2 4.15Å; M134-W137 HydrophobicContact CG-CE3 4Å; M134-W137 HydrophobicContact CG-CH2 3.73Å; M134-W137 HydrophobicContact CG-CZ2 3.87Å; M134-W137 HydrophobicContact CG-CZ3 3.8Å; M134-W137 WeakPolarHBondContact O-CB 3.17Å; M134-W137 PolarHBondContact O-N 2.93Å; M134-W137 HydrophobicContact SD-CH2 4.47Å; M134-W137 HydrophobicContact SD-CZ3 4.35Å |
| 135 | N | 79.2 | Confident | 67.9 | Low | 23 Ų | 23 | 61.3 Ų | 61.3 | 12% | 0.123 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -63.9 | -18 | 176.1 | 69 | -53.6 | 0 | 0 | 0 | 113.8 | S69 K70 C71 K117 G133 | S69-N135 PolarHBondContact O-N 3.39Å; K70-N135 WeakPolarHBondContact CA-OD1 3.42Å; C71-N135 PolarHBondContact N-OD1 3.47Å; C71-N135 PolarHBondContact SG-OD1 2.81Å; K117-N135 PolarHBondContact O-ND2 3Å; G133-N135 PolarHBondContact O-N 2.87Å; G133-N135 PolarHBondContact O-OD1 3.11Å |
| 136 | V | 74.4 | Confident | 66.4 | Low | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -77.7 | -26.6 | 172.3 | 178.7 | 0 | 0 | 0 | 0 | 112.1 | C71 L106 V116 L132 G133 M134 Q138 C139 W140 | C71-V136 WeakPolarHBondContact SG-CG2 3.45Å; L106-V136 HydrophobicContact CD1-CG1 4.32Å; L106-V136 HydrophobicContact CD1-CG2 3.82Å; V116-V136 HydrophobicContact CB-CG2 4.18Å; V116-V136 HydrophobicContact CG1-CB 4.4Å; V116-V136 HydrophobicContact CG1-CG2 3.77Å; V116-V136 HydrophobicContact CG2-CG2 4.07Å; L132-V136 HydrophobicContact CD2-CB 3.96Å; L132-V136 HydrophobicContact CD2-CG1 3.93Å; L132-V136 HydrophobicContact CD2-CG2 3.39Å; G133-V136 PolarHBondContact O-N 2.69Å; G133-V136 VanDerWaalsContact O-N 3.1Å; M134-V136 PolarHBondContact O-N 3.01Å; V136-Q138 PolarHBondContact O-N 3.3Å; V136-Q138 VanDerWaalsContact O-N 3.13Å; V136-C139 WeakPolarHBondContact O-CB 3.03Å; V136-C139 PolarHBondContact O-N 2.86Å; V136-W140 HydrophobicContact CG1-CE3 3.51Å; V136-W140 HydrophobicContact CG1-CZ3 3.84Å; V136-W140 PolarHBondContact O-N 3.18Å |
| 137 | W | 72.6 | Confident | 65.1 | Low | 92 Ų | 92 | 68.8 Ų | 68.8 | 35% | 0.348 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -23.9 | -173.3 | -56.6 | -3.6 | 0 | 0 | 0 | 112 | T66 M134 C139 W140 | T66-W137 HydrophobicContact CG2-CH2 4.5Å; T66-W137 HydrophobicContact CG2-CZ2 4.4Å; M134-W137 HydrophobicContact CB-CD2 4.14Å; M134-W137 HydrophobicContact CB-CE3 4.18Å; M134-W137 HydrophobicContact CB-CZ3 4.47Å; M134-W137 HydrophobicContact CE-CE3 4Å; M134-W137 HydrophobicContact CE-CH2 4.23Å; M134-W137 HydrophobicContact CE-CZ3 3.58Å; M134-W137 HydrophobicContact CG-CD2 4.15Å; M134-W137 HydrophobicContact CG-CE3 4Å; M134-W137 HydrophobicContact CG-CH2 3.73Å; M134-W137 HydrophobicContact CG-CZ2 3.87Å; M134-W137 HydrophobicContact CG-CZ3 3.8Å; M134-W137 WeakPolarHBondContact O-CB 3.17Å; M134-W137 PolarHBondContact O-N 2.93Å; M134-W137 HydrophobicContact SD-CH2 4.47Å; M134-W137 HydrophobicContact SD-CZ3 4.35Å; W137-C139 VanDerWaalsContact C-N 3.34Å; W137-W140 CarbonylContact O-C 3.58Å |
| 138 | Q | 69.1 | Low | 63.7 | Low | 174 Ų | 174 | 65.7 Ų | 65.7 | 81% | 0.813 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -27.1 | 173.3 | -61.3 | 178.1 | 17.4 | 0 | 0 | 112.5 | V136 | V136-Q138 PolarHBondContact O-N 3.3Å; V136-Q138 VanDerWaalsContact O-N 3.13Å |
| 139 | C | 68.5 | Low | 61.9 | Low | 52 Ų | 52 | 69.3 Ų | 69.3 | 35% | 0.351 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -27.8 | -178.1 | -56.8 | 0 | 0 | 0 | 0 | 112.8 | V114 V136 W137 | V114-C139 HydrophobicContact CB-CB 3.96Å; V114-C139 HydrophobicContact CG1-CB 4Å; V114-C139 HydrophobicContact CG2-CB 3.98Å; V136-C139 WeakPolarHBondContact O-CB 3.03Å; V136-C139 PolarHBondContact O-N 2.86Å; W137-C139 VanDerWaalsContact C-N 3.34Å |
| 140 | W | 63.6 | Low | 60.1 | Low | 12 Ų | 12 | 71.4 Ų | 71.4 | 5% | 0.045 | 41% | 0.406 | C | S | . | . | trans | -127.5 | 89.2 | 175.3 | -73 | -41.2 | 0 | 0 | 0 | 111.2 | M53 L106 L108 R111 N112 V114 V136 W137 V142 I143 | M53-W140 HydrophobicContact SD-CZ3 4.4Å; L106-W140 HydrophobicContact CB-CH2 3.49Å; L106-W140 VanDerWaalsContact CB-CH2 3.49Å; L106-W140 HydrophobicContact CB-CZ3 3.84Å; L106-W140 HydrophobicContact CD1-CZ3 4.29Å; L106-W140 WeakPolarHBondContact O-CH2 3.22Å; L108-W140 HydrophobicContact CB-CH2 4.23Å; L108-W140 HydrophobicContact CB-CZ2 4.22Å; R111-W140 HydrophobicContact CB-CZ2 4.46Å; R111-W140 VanDerWaalsContact CD-CD1 3.45Å; N112-W140 PolarHBondContact O-NE1 3.41Å; V114-W140 HydrophobicContact CB-CZ2 4.26Å; V114-W140 HydrophobicContact CG1-CD2 4.43Å; V114-W140 HydrophobicContact CG1-CZ2 3.96Å; V114-W140 HydrophobicContact CG2-CD2 4.08Å; V114-W140 HydrophobicContact CG2-CE3 4.08Å; V114-W140 HydrophobicContact CG2-CH2 3.5Å; V114-W140 HydrophobicContact CG2-CZ2 3.46Å; V114-W140 VanDerWaalsContact CG2-CZ2 3.46Å; V114-W140 HydrophobicContact CG2-CZ3 3.79Å; V136-W140 HydrophobicContact CG1-CE3 3.51Å; V136-W140 HydrophobicContact CG1-CZ3 3.84Å; V136-W140 PolarHBondContact O-N 3.18Å; W137-W140 CarbonylContact O-C 3.58Å; W140-V142 PolarHBondContact O-N 2.79Å; W140-I143 PolarHBondContact O-N 3.02Å | ||
| 141 | P | 52.8 | Low | 58.1 | Low | 83 Ų | 83 | 78.7 Ų | 78.7 | 54% | 0.539 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -0.2 | 179.8 | 14.2 | -21.4 | 0 | 0 | 0 | 115.1 | ||
| 142 | V | 50.5 | Low | 56.8 | Low | 84 Ų | 84 | 81.8 Ų | 81.8 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 13.2 | -171.4 | -167.7 | 0 | 0 | 0 | 0 | 112.9 | R111 W140 R144 | R111-V142 VanDerWaalsContact CZ-CB 3.48Å; W140-V142 PolarHBondContact O-N 2.79Å; V142-R144 PolarHBondContact O-N 3.17Å; V142-R144 VanDerWaalsContact O-N 3.17Å |
| 143 | I | 49.7 | Very low | 55.4 | Low | 89 Ų | 89 | 86.1 Ų | 86.1 | 46% | 0.456 | 53% | 0.528 | S | S | . | . | trans | -84.2 | 44.2 | 153.4 | -42.3 | 177.9 | 0 | 0 | 0 | 108.3 | W140 | W140-I143 PolarHBondContact O-N 3.02Š| ||
| 144 | R | 38.3 | Very low | 53.9 | Low | 170 Ų | 170 | 90.8 Ų | 90.8 | 64% | 0.642 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -114.8 | 121.3 | 172 | -147.3 | -175.1 | -66.4 | -163.3 | -1.3 | 104.1 | V142 | V142-R144 PolarHBondContact O-N 3.17Å; V142-R144 VanDerWaalsContact O-N 3.17Å |
| 145 | A | 40.7 | Very low | 52.4 | Low | 47 Ų | 47 | 91.3 Ų | 91.3 | 39% | 0.388 | 57% | 0.566 | S | S | . | * | trans | -45.7 | 144.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q147 | A145-Q147 PolarHBondContact O-N 3.16Š| ||
| 146 | P | 36.2 | Very low | 50.7 | Low | 115 Ų | 115 | 95.6 Ų | 95.6 | 75% | 0.747 | 59% | 0.594 | S | S | * | * | trans | -53.4 | 116.5 | 177.6 | 22 | -31.1 | 0 | 0 | 0 | 107.7 | S148 | P146-S148 PolarHBondContact O-N 2.69Š| ||
| 147 | Q | 41.7 | Very low | 49.1 | Very low | 157 Ų | 157 | 101.9 Ų | 101.9 | 73% | 0.734 | 63% | 0.634 | S | S | * | * | trans | -61.5 | 115.3 | 162 | -70.6 | -163.5 | 2.7 | 0 | 0 | 104.5 | A145 A149 | A145-Q147 PolarHBondContact O-N 3.16Å; Q147-A149 PolarHBondContact O-N 3.04Å | ||
| 148 | S | 39.9 | Very low | 47.4 | Very low | 108 Ų | 108 | 102.6 Ų | 102.6 | 76% | 0.755 | 65% | 0.654 | S | S | * | * | trans | -53.2 | 107.6 | 168.7 | 55.7 | 0 | 0 | 0 | 0 | 106.8 | P146 A150 | P146-S148 PolarHBondContact O-N 2.69Å; S148-A150 PolarHBondContact O-N 3.2Å | ||
| 149 | A | 35.2 | Very low | 45.8 | Very low | 104 Ų | 104 | 97.2 Ų | 97.2 | 86% | 0.86 | 64% | 0.642 | S | S | * | * | trans | -65.4 | 84.2 | 154.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | Q147 | Q147-A149 PolarHBondContact O-N 3.04Š| ||
| 150 | A | 40.8 | Very low | 43.9 | Very low | 88 Ų | 88 | 100.9 Ų | 100.9 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | trans | -79.2 | 122.7 | 154.2 | 0 | 0 | 0 | 0 | 0 | 105.3 | S148 | S148-A150 PolarHBondContact O-N 3.2Š| ||
| 151 | G | 37 | Very low | 42.1 | Very low | 154 Ų | 154 | 109 Ų | 109 | 100% | 1.588 | 72% | 0.722 | S | S | * | * | trans | -70 | 0 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 |
Retrieved 151 of 151 residues in 106.8 ms
(Link to these results)