| 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 | 34.4 | Very low | 39.5 | Very low | 228 Ų | 228 | 154.3 Ų | 154.3 | 100% | 1.123 | 83% | 0.826 | S | S | * | * | 0 | 106.8 | 0 | -91.4 | 73.5 | 179.1 | 0 | 0 | 108 | |||||
| 2 | M | 34.2 | Very low | 39.4 | Very low | 148 Ų | 148 | 162.1 Ų | 162.1 | 73% | 0.729 | 84% | 0.835 | S | S | * | * | 100.4 | 132.1 | 79 | -150.1 | -176.1 | 165.3 | 0 | 0 | 109.7 | |||||
| 3 | W | 34.6 | Very low | 39.4 | Very low | 209 Ų | 209 | 161.5 Ų | 161.5 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | trans | 96.5 | 97 | 164.1 | -58.6 | 92.9 | 0 | 0 | 0 | 120.2 | ||||
| 4 | L | 34.8 | Very low | 39.9 | Very low | 165 Ų | 165 | 160.2 Ų | 160.2 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | trans | -59.8 | 150.1 | 138.4 | -92.3 | 97.2 | 0 | 0 | 0 | 110.4 | ||||
| 5 | C | 40.2 | Very low | 39.4 | Very low | 125 Ų | 125 | 163.8 Ų | 163.8 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | trans | -145.9 | 132.1 | 148.1 | -149.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 6 | N | 42.5 | Very low | 39.6 | Very low | 142 Ų | 142 | 165.5 Ų | 165.5 | 76% | 0.759 | 83% | 0.832 | S | S | * | * | trans | -97.1 | 155.7 | -176.3 | -175.9 | 20.6 | 0 | 0 | 0 | 110 | ||||
| 7 | R | 42.5 | Very low | 39.6 | Very low | 242 Ų | 242 | 160.8 Ų | 160.8 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | trans | 164.5 | 130.4 | 159.4 | -94.1 | 168.1 | -147.3 | -134 | 8.5 | 106.7 | ||||
| 8 | G | 41.3 | Very low | 39.5 | Very low | 73 Ų | 73 | 165 Ų | 165 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | cis | 126 | 119.6 | 18.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 9 | A | 48.1 | Very low | 39.6 | Very low | 97 Ų | 97 | 162.3 Ų | 162.3 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | 156.1 | 114.2 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 10 | V | 43.7 | Very low | 39.7 | Very low | 128 Ų | 128 | 164.2 Ų | 164.2 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | cis | 86.8 | 114.8 | 37 | -175.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 11 | L | 37.8 | Very low | 39.9 | Very low | 140 Ų | 140 | 162.7 Ų | 162.7 | 73% | 0.733 | 82% | 0.816 | S | S | * | * | trans | 76.2 | 115.5 | 152.7 | -74.2 | 160.3 | 0 | 0 | 0 | 121.5 | ||||
| 12 | R | 38.5 | Very low | 40.1 | Very low | 248 Ų | 248 | 158.3 Ų | 158.3 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | -170.8 | 135.7 | 103.6 | -100.5 | 175.5 | -148.1 | -118.8 | 2 | 113.3 | |||||
| 13 | H | 39.9 | Very low | 40.5 | Very low | 154 Ų | 154 | 157 Ų | 157 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -65.9 | 141 | 170 | -83.9 | -110.3 | 0 | 0 | 0 | 112.4 | ||||
| 14 | V | 45.9 | Very low | 40.4 | Very low | 144 Ų | 144 | 152 Ų | 152 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | trans | -142.6 | 126.3 | 143.1 | 177.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 15 | W | 32.5 | Very low | 40.7 | Very low | 214 Ų | 214 | 150.9 Ų | 150.9 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -101.6 | 127.9 | 177.2 | -111.1 | 54.9 | 0 | 0 | 0 | 108.4 | ||||
| 16 | E | 42.6 | Very low | 40.3 | Very low | 191 Ų | 191 | 150.8 Ų | 150.8 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -153.8 | 127.5 | 147.5 | -77.5 | -161.8 | 155.4 | 0 | 0 | 109.1 | ||||
| 17 | P | 39.1 | Very low | 40.2 | Very low | 86 Ų | 86 | 149.3 Ų | 149.3 | 56% | 0.558 | 79% | 0.789 | S | S | * | * | trans | -121.4 | 108.5 | 179.5 | 35.1 | -19.4 | 0 | 0 | 0 | 112.5 | ||||
| 18 | W | 37.8 | Very low | 39.8 | Very low | 236 Ų | 236 | 142.7 Ų | 142.7 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | trans | -149.4 | 126.6 | 155.3 | -72.6 | 90 | 0 | 0 | 0 | 111.8 | ||||
| 19 | T | 42.2 | Very low | 39.3 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | 55.9 | 109.3 | 144.7 | 61.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 20 | K | 42.1 | Very low | 38.8 | Very low | 199 Ų | 199 | 145.3 Ų | 145.3 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | -170.2 | 130.1 | 121.7 | -99.2 | 157.3 | -166.2 | -176.7 | 0 | 111 | T22 | K20-T22 PolarHBondContact O-N 2.95Š| |||
| 21 | V | 43.7 | Very low | 38.4 | Very low | 134 Ų | 134 | 148.7 Ų | 148.7 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -45.1 | 113.7 | 174.8 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | T23 | V21-T23 PolarHBondContact O-N 2.81Å; V21-T23 VanDerWaalsContact O-N 3.15Å | ||
| 22 | T | 37.7 | Very low | 38.4 | Very low | 135 Ų | 135 | 147.3 Ų | 147.3 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | trans | -78.8 | 89.7 | 168.9 | 45.3 | 0 | 0 | 0 | 0 | 108.5 | K20 S24 | K20-T22 PolarHBondContact O-N 2.95Å; T22-S24 PolarHBondContact O-N 3.1Å | ||
| 23 | T | 42.6 | Very low | 38.6 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | -68.5 | 110.8 | 162.4 | -33.5 | 0 | 0 | 0 | 0 | 106.9 | V21 L25 | V21-T23 PolarHBondContact O-N 2.81Å; V21-T23 VanDerWaalsContact O-N 3.15Å; T23-L25 PolarHBondContact O-N 2.89Å | ||
| 24 | S | 33.7 | Very low | 38.8 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | -62.9 | 102.1 | 175.4 | 60.9 | 0 | 0 | 0 | 0 | 109 | T22 C26 | T22-S24 PolarHBondContact O-N 3.1Å; S24-C26 PolarHBondContact O-N 3.01Å | ||
| 25 | L | 40 | Very low | 38.7 | Very low | 141 Ų | 141 | 139.3 Ų | 139.3 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | trans | -58.9 | 103.8 | 162.9 | -82.8 | 156 | 0 | 0 | 0 | 107.5 | T23 V27 | T23-L25 PolarHBondContact O-N 2.89Å; L25-V27 HydrophobicContact CB-CG2 4.38Å; L25-V27 PolarHBondContact O-N 3.26Å | ||
| 26 | C | 32.6 | Very low | 39.1 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | trans | -70.1 | 86.6 | 164.9 | -172.4 | 0 | 0 | 0 | 0 | 106.9 | S24 C28 | S24-C26 PolarHBondContact O-N 3.01Å; C26-C28 VanDerWaalsContact C-N 3.31Å; C26-C28 PolarHBondContact O-N 3.34Å | ||
| 27 | V | 40.6 | Very low | 39.1 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 67% | 0.667 | 75% | 0.751 | S | S | * | * | trans | -64.7 | 94.1 | 172.9 | -179.4 | 0 | 0 | 0 | 0 | 107.3 | L25 S29 | L25-V27 HydrophobicContact CB-CG2 4.38Å; L25-V27 PolarHBondContact O-N 3.26Å; V27-S29 PolarHBondContact O-N 3.02Å; V27-S29 PolarHBondContact O-OG 2.93Å | ||
| 28 | C | 33 | Very low | 39.3 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | trans | -60.1 | 106.6 | 167.2 | -138.9 | 0 | 0 | 0 | 0 | 106.4 | C26 L30 | C26-C28 VanDerWaalsContact C-N 3.31Å; C26-C28 PolarHBondContact O-N 3.34Å; C28-L30 PolarHBondContact O-N 3.49Å | ||
| 29 | S | 31.6 | Very low | 39.7 | Very low | 86 Ų | 86 | 130.9 Ų | 130.9 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | trans | -72.5 | 91.7 | -162.4 | -65.9 | 0 | 0 | 0 | 0 | 111 | V27 K31 | V27-S29 PolarHBondContact O-N 3.02Å; V27-S29 PolarHBondContact O-OG 2.93Å; S29-K31 PolarHBondContact O-N 3.31Å | ||
| 30 | L | 36.7 | Very low | 40.3 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -72.4 | 82.9 | 147.7 | -134.9 | 88.9 | 0 | 0 | 0 | 106.3 | C28 L32 | C28-L30 PolarHBondContact O-N 3.49Å; L30-L32 HydrophobicContact CD2-CD1 4.03Å; L30-L32 HydrophobicContact CD2-CG 4.39Å; L30-L32 PolarHBondContact O-N 3.18Å | ||
| 31 | K | 36.1 | Very low | 40.8 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | trans | -67.4 | 77.8 | 167.9 | -86 | 177.8 | 178.7 | 167.9 | 0 | 108.1 | S29 A33 | S29-K31 PolarHBondContact O-N 3.31Å; K31-A33 PolarHBondContact O-N 3.35Å | ||
| 32 | L | 37.8 | Very low | 41.5 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 59% | 0.586 | 77% | 0.766 | S | S | * | * | trans | -71.1 | 112 | 152.4 | -80.7 | 159.4 | 0 | 0 | 0 | 105.6 | L30 I34 | L30-L32 HydrophobicContact CD2-CD1 4.03Å; L30-L32 HydrophobicContact CD2-CG 4.39Å; L30-L32 PolarHBondContact O-N 3.18Å; L32-I34 PolarHBondContact O-N 3.03Å | ||
| 33 | A | 43 | Very low | 42.6 | Very low | 85 Ų | 85 | 138.3 Ų | 138.3 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | trans | -50.7 | 113.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | K31 D35 | K31-A33 PolarHBondContact O-N 3.35Å; A33-D35 VanDerWaalsContact C-N 3.3Å; A33-D35 PolarHBondContact O-N 2.78Å; A33-D35 VanDerWaalsContact O-N 3.1Å | ||
| 34 | I | 44.9 | Very low | 43.9 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | trans | -75.2 | 95.4 | 163.8 | -62 | 173.2 | 0 | 0 | 0 | 104.3 | L32 K36 | L32-I34 PolarHBondContact O-N 3.03Å; I34-K36 VanDerWaalsContact C-N 3.25Å; I34-K36 PolarHBondContact O-N 2.79Å | ||
| 35 | D | 43.3 | Very low | 45.9 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | trans | -58.4 | 95.1 | 166 | -85.8 | -39.9 | 0 | 0 | 0 | 108.4 | A33 G37 | A33-D35 VanDerWaalsContact C-N 3.3Å; A33-D35 PolarHBondContact O-N 2.78Å; A33-D35 VanDerWaalsContact O-N 3.1Å; D35-G37 VanDerWaalsContact C-N 3.27Å; D35-G37 PolarHBondContact O-N 3.05Å | ||
| 36 | K | 41.2 | Very low | 47.6 | Very low | 205 Ų | 205 | 134.8 Ų | 134.8 | 89% | 0.891 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 86.8 | 166.1 | -70.5 | 178.6 | 175.9 | 179.6 | 0 | 107.4 | I34 | I34-K36 VanDerWaalsContact C-N 3.25Å; I34-K36 PolarHBondContact O-N 2.79Å |
| 37 | G | 42.3 | Very low | 49.9 | Very low | 78 Ų | 78 | 134.2 Ų | 134.2 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 155 | -8.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | D35 | D35-G37 VanDerWaalsContact C-N 3.27Å; D35-G37 PolarHBondContact O-N 3.05Å |
| 38 | G | 41.8 | Very low | 51.8 | Low | 59 Ų | 59 | 135.1 Ų | 135.1 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | trans | -79.9 | 125 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K40 | G38-K40 PolarHBondContact O-N 3.37Š| ||
| 39 | K | 47.4 | Very low | 54.2 | Low | 208 Ų | 208 | 138.4 Ų | 138.4 | 90% | 0.904 | 70% | 0.701 | S | S | * | * | trans | -46.1 | 114.8 | 162.5 | -92.3 | 174.8 | 175.2 | 173.2 | 0 | 108.2 | R41 | K39-R41 PolarHBondContact O-N 3.02Š| ||
| 40 | K | 54.5 | Low | 56.5 | Low | 206 Ų | 206 | 138.3 Ų | 138.3 | 90% | 0.896 | 69% | 0.691 | S | S | * | * | trans | -54.8 | 106.5 | 171.6 | -75.9 | -176 | 177.7 | -179.4 | 0 | 107.4 | G38 K42 | G38-K40 PolarHBondContact O-N 3.37Å; K40-K42 PolarHBondContact O-N 3.25Å | ||
| 41 | R | 53.1 | Low | 58.7 | Low | 221 Ų | 221 | 132.1 Ų | 132.1 | 83% | 0.834 | 66% | 0.659 | S | S | * | * | trans | -55.8 | 129.1 | 169.7 | -73.2 | -177.2 | -178.4 | 165.7 | 0.7 | 106.5 | K39 M43 | K39-R41 PolarHBondContact O-N 3.02Å; R41-M43 VanDerWaalsContact C-N 3.35Å; R41-M43 PolarHBondContact O-N 3.3Å | ||
| 42 | K | 57.3 | Low | 61 | Low | 206 Ų | 206 | 126.9 Ų | 126.9 | 90% | 0.896 | 64% | 0.637 | S | S | * | * | trans | -64.6 | 101.7 | 173.5 | -74.6 | -177.5 | 179.1 | -179.6 | 0 | 106.3 | K40 | K40-K42 PolarHBondContact O-N 3.25Š| ||
| 43 | M | 60.5 | Low | 63.1 | Low | 105 Ų | 105 | 128.2 Ų | 128.2 | 52% | 0.517 | 64% | 0.64 | S | S | . | * | trans | -67.3 | 135.2 | 173.5 | -61.8 | -69.5 | -165.7 | 0 | 0 | 107.9 | R41 K45 Q210 | R41-M43 VanDerWaalsContact C-N 3.35Å; R41-M43 PolarHBondContact O-N 3.3Å; M43-K45 PolarHBondContact O-N 3.11Å; M43-Q210 VanDerWaalsContact CE-OE1 3.27Å; M43-Q210 VanDerWaalsContact CG-OE1 3.26Å; M43-Q210 PolarHBondContact SD-OE1 3.4Å; M43-Q210 VanDerWaalsContact SD-OE1 3.34Å | ||
| 44 | V | 70.1 | Confident | 64.9 | Low | 66 Ų | 66 | 126.9 Ų | 126.9 | 40% | 0.4 | 62% | 0.618 | S | S | . | * | trans | -70.1 | 119 | 171.2 | -178.7 | 0 | 0 | 0 | 0 | 106.5 | L46 D203 S207 | V44-L46 HydrophobicContact CG1-CD2 3.9Å; V44-L46 PolarHBondContact O-N 2.97Å; V44-L46 VanDerWaalsContact O-N 3.13Å; V44-D203 HydrophobicContact CG2-CB 4.1Å; V44-S207 PolarHBondContact N-OG 3.44Å; V44-S207 PolarHBondContact O-OG 2.96Å | ||
| 45 | K | 75.8 | Confident | 66.7 | Low | 199 Ų | 199 | 120 Ų | 120 | 87% | 0.865 | 58% | 0.583 | S | S | * | * | trans | -70.3 | 105.7 | 169 | -67.9 | -177.1 | 179.5 | -177.9 | 0 | 106.4 | M43 | M43-K45 PolarHBondContact O-N 3.11Š| ||
| 46 | L | 75.3 | Confident | 68.9 | Low | 29 Ų | 29 | 118 Ų | 118 | 15% | 0.152 | 57% | 0.572 | C | S | . | * | trans | -83.8 | 136.4 | 174.1 | -62.6 | 175 | 0 | 0 | 0 | 108.5 | V44 E50 I51 V204 S207 L208 | V44-L46 HydrophobicContact CG1-CD2 3.9Å; V44-L46 PolarHBondContact O-N 2.97Å; V44-L46 VanDerWaalsContact O-N 3.13Å; L46-E50 WeakPolarHBondContact CA-OE2 3.41Å; L46-E50 VanDerWaalsContact CD2-OE2 3.25Å; L46-E50 WeakPolarHBondContact CD2-OE2 3.28Å; L46-I51 HydrophobicContact CB-CD1 4.16Å; L46-I51 HydrophobicContact CB-CG1 3.8Å; L46-I51 HydrophobicContact CD1-CG1 4.24Å; L46-V204 HydrophobicContact CD1-CG1 4.02Å; L46-V204 HydrophobicContact CD2-CG1 4.29Å; L46-V204 HydrophobicContact CD2-CG2 4.43Å; L46-S207 VanDerWaalsContact CD1-CB 3.47Å; L46-L208 HydrophobicContact CD1-CD2 3.99Å; L46-L208 HydrophobicContact CD1-CG 4.05Å | ||
| 47 | D | 81.9 | Confident | 71.2 | Confident | 111 Ų | 111 | 108.7 Ų | 108.7 | 59% | 0.594 | 53% | 0.532 | S | S | * | . | trans | -72.1 | 153.4 | 170.9 | -74.7 | -28.2 | 0 | 0 | 0 | 110 | K49 E50 I51 | D47-K49 PolarHBondContact O-N 3.12Å; D47-K49 VanDerWaalsContact O-N 3.08Å; D47-E50 HydrophobicContact CB-CG 4.31Å; D47-E50 PolarHBondContact N-OE2 2.75Å; D47-E50 WeakPolarHBondContact O-CB 3.25Å; D47-E50 PolarHBondContact O-N 3.18Å; D47-I51 PolarHBondContact O-N 2.75Å | ||
| 48 | E | 79.7 | Confident | 73.5 | Confident | 128 Ų | 128 | 110.3 Ų | 110.3 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -54.5 | -34.4 | -178.9 | -170.2 | 178.6 | 172.5 | 0 | 0 | 112.3 | I51 Q52 I57 | E48-I51 PolarHBondContact O-N 3.13Å; E48-Q52 VanDerWaalsContact O-CG 3.26Å; E48-Q52 WeakPolarHBondContact O-CG 3.36Å; E48-Q52 PolarHBondContact O-N 3.29Å; E48-Q52 PolarHBondContact OE1-NE2 3.33Å; E48-I57 HydrophobicContact CG-CD1 4.15Å |
| 49 | K | 83.1 | Confident | 76 | Confident | 173 Ų | 173 | 109.3 Ų | 109.3 | 75% | 0.752 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.5 | -38 | 177.3 | -62.1 | -179.1 | -178.2 | 177.5 | 0 | 113 | D47 I51 Q52 Q53 | D47-K49 PolarHBondContact O-N 3.12Å; D47-K49 VanDerWaalsContact O-N 3.08Å; K49-I51 VanDerWaalsContact C-N 3.33Å; K49-Q52 PolarHBondContact O-N 3.04Å; K49-Q53 PolarHBondContact O-N 3.48Å |
| 50 | E | 81.1 | Confident | 78.2 | Confident | 84 Ų | 84 | 99.5 Ų | 99.5 | 39% | 0.393 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.4 | -37.2 | 178.3 | -61.6 | -179.3 | 155.2 | 0 | 0 | 110.4 | L46 D47 Q53 Y54 | L46-E50 WeakPolarHBondContact CA-OE2 3.41Å; L46-E50 VanDerWaalsContact CD2-OE2 3.25Å; L46-E50 WeakPolarHBondContact CD2-OE2 3.28Å; D47-E50 HydrophobicContact CB-CG 4.31Å; D47-E50 PolarHBondContact N-OE2 2.75Å; D47-E50 WeakPolarHBondContact O-CB 3.25Å; D47-E50 PolarHBondContact O-N 3.18Å; E50-Q53 WeakPolarHBondContact O-CB 3.41Å; E50-Q53 PolarHBondContact O-N 3.46Å; E50-Y54 WeakPolarHBondContact O-CD2 3.32Å |
| 51 | I | 82.1 | Confident | 80.1 | Confident | 10 Ų | 10 | 91.9 Ų | 91.9 | 5% | 0.051 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 175.9 | -58.4 | 175.6 | 0 | 0 | 0 | 110.3 | L46 D47 E48 K49 Q53 Y54 L55 I57 L208 H211 | L46-I51 HydrophobicContact CB-CD1 4.16Å; L46-I51 HydrophobicContact CB-CG1 3.8Å; L46-I51 HydrophobicContact CD1-CG1 4.24Å; D47-I51 PolarHBondContact O-N 2.75Å; E48-I51 PolarHBondContact O-N 3.13Å; K49-I51 VanDerWaalsContact C-N 3.33Å; I51-Q53 PolarHBondContact O-N 3.32Å; I51-Y54 PolarHBondContact O-N 3.01Å; I51-L55 HydrophobicContact CG2-CB 4.38Å; I51-L55 HydrophobicContact CG2-CD1 4.35Å; I51-L55 PolarHBondContact O-N 3.25Å; I51-I57 HydrophobicContact CB-CD1 3.84Å; I51-I57 HydrophobicContact CG2-CD1 3.48Å; I51-I57 VanDerWaalsContact CG2-CD1 3.48Å; I51-I57 HydrophobicContact CG2-CG1 3.88Å; I51-L208 HydrophobicContact CB-CD2 4.13Å; I51-L208 HydrophobicContact CG1-CD2 4.03Å; I51-L208 HydrophobicContact CG2-CD2 3.8Å; I51-H211 HydrophobicContact CD1-CB 4.39Å |
| 52 | Q | 84.8 | Confident | 82.1 | Confident | 88 Ų | 88 | 84 Ų | 84 | 41% | 0.411 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58 | -29.9 | 178.8 | -76.6 | 175 | 5 | 0 | 0 | 113.2 | E48 K49 Y54 L55 I57 | E48-Q52 VanDerWaalsContact O-CG 3.26Å; E48-Q52 WeakPolarHBondContact O-CG 3.36Å; E48-Q52 PolarHBondContact O-N 3.29Å; E48-Q52 PolarHBondContact OE1-NE2 3.33Å; K49-Q52 PolarHBondContact O-N 3.04Å; Q52-Y54 VanDerWaalsContact C-N 3.27Å; Q52-Y54 PolarHBondContact O-N 2.92Å; Q52-L55 WeakPolarHBondContact CA-O 3.16Å; Q52-I57 HydrophobicContact CG-CB 4.43Å; Q52-I57 HydrophobicContact CG-CD1 3.56Å; Q52-I57 HydrophobicContact CG-CG1 3.96Å |
| 53 | Q | 81.9 | Confident | 84 | Confident | 139 Ų | 139 | 77.7 Ų | 77.7 | 65% | 0.65 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.2 | -33.6 | 176.8 | -172.6 | 177.9 | 2.6 | 0 | 0 | 112.7 | K49 E50 I51 | K49-Q53 PolarHBondContact O-N 3.48Å; E50-Q53 WeakPolarHBondContact O-CB 3.41Å; E50-Q53 PolarHBondContact O-N 3.46Å; I51-Q53 PolarHBondContact O-N 3.32Å |
| 54 | Y | 80.4 | Confident | 85.6 | Confident | 57 Ų | 57 | 72.8 Ų | 72.8 | 22% | 0.224 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -103.1 | -31 | -175.2 | -58.3 | -69 | 0 | 0 | 0 | 113.1 | E50 I51 Q52 K196 L200 V204 L208 | E50-Y54 WeakPolarHBondContact O-CD2 3.32Å; I51-Y54 PolarHBondContact O-N 3.01Å; Q52-Y54 VanDerWaalsContact C-N 3.27Å; Q52-Y54 PolarHBondContact O-N 2.92Å; Y54-K196 PolarHBondContact O-NZ 2.94Å; Y54-L200 HydrophobicContact CD1-CD2 3.43Å; Y54-L200 VanDerWaalsContact CD1-CD2 3.43Å; Y54-L200 HydrophobicContact CD1-CG 4.2Å; Y54-L200 HydrophobicContact CD2-CD2 3.89Å; Y54-L200 HydrophobicContact CE1-CD2 3.29Å; Y54-L200 HydrophobicContact CE1-CG 4.24Å; Y54-L200 HydrophobicContact CE2-CD2 3.79Å; Y54-L200 HydrophobicContact CG-CD2 3.72Å; Y54-L200 VanDerWaalsContact CZ-CD2 3.49Å; Y54-V204 HydrophobicContact CE2-CG1 4.27Å; Y54-L208 HydrophobicContact CD2-CD1 4.23Å; Y54-L208 HydrophobicContact CG-CD1 4.27Å |
| 55 | L | 83 | Confident | 86.9 | Confident | 6 Ų | 6 | 74.8 Ų | 74.8 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -127.7 | 130 | -175.7 | -76.7 | 175.9 | 0 | 0 | 0 | 110.9 | I51 Q52 I57 Y189 M193 L208 L212 | I51-L55 HydrophobicContact CG2-CB 4.38Å; I51-L55 HydrophobicContact CG2-CD1 4.35Å; I51-L55 PolarHBondContact O-N 3.25Å; Q52-L55 WeakPolarHBondContact CA-O 3.16Å; L55-I57 VanDerWaalsContact C-N 3.33Å; L55-I57 PolarHBondContact O-N 3.25Å; L55-Y189 HydrophobicContact CD2-CD1 4.41Å; L55-M193 HydrophobicContact CD1-CG 4.3Å; L55-M193 HydrophobicContact CD1-SD 3.76Å; L55-M193 HydrophobicContact CD2-CG 3.45Å; L55-M193 VanDerWaalsContact CD2-CG 3.45Å; L55-M193 HydrophobicContact CD2-SD 3.95Å; L55-M193 HydrophobicContact CG-CG 4.06Å; L55-M193 HydrophobicContact CG-SD 4.18Å; L55-L208 HydrophobicContact CD1-CB 4.45Å; L55-L208 HydrophobicContact CD1-CD2 4.09Å; L55-L212 HydrophobicContact CD1-CD2 3.94Å; L55-L212 HydrophobicContact CD1-CG 4.19Å |
| 56 | D | 88.7 | Confident | 87.9 | Confident | 100 Ų | 100 | 67.3 Ų | 67.3 | 54% | 0.535 | 35% | 0.348 | S | S | . | . | trans | -73.1 | 87.5 | 170.4 | -58.5 | -39 | 0 | 0 | 0 | 109.7 | T58 S59 M60 | D56-T58 VanDerWaalsContact C-N 3.26Å; D56-T58 PolarHBondContact O-N 3.05Å; D56-S59 WeakPolarHBondContact CB-OG 3.45Å; D56-S59 PolarHBondContact O-OG 3.05Å; D56-M60 PolarHBondContact O-N 3.35Å | ||
| 57 | I | 89.7 | Confident | 88.9 | Confident | 10 Ų | 10 | 67 Ų | 67 | 5% | 0.051 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.6 | -37 | -177.8 | -55.8 | -178.7 | 0 | 0 | 0 | 111.1 | E48 I51 Q52 L55 M60 N61 | E48-I57 HydrophobicContact CG-CD1 4.15Å; I51-I57 HydrophobicContact CB-CD1 3.84Å; I51-I57 HydrophobicContact CG2-CD1 3.48Å; I51-I57 VanDerWaalsContact CG2-CD1 3.48Å; I51-I57 HydrophobicContact CG2-CG1 3.88Å; Q52-I57 HydrophobicContact CG-CB 4.43Å; Q52-I57 HydrophobicContact CG-CD1 3.56Å; Q52-I57 HydrophobicContact CG-CG1 3.96Å; L55-I57 VanDerWaalsContact C-N 3.33Å; L55-I57 PolarHBondContact O-N 3.25Å; I57-M60 HydrophobicContact CG2-CE 4.35Å; I57-M60 PolarHBondContact O-N 3.43Å; I57-N61 WeakPolarHBondContact O-CB 3.36Å; I57-N61 PolarHBondContact O-N 3.04Å |
| 58 | T | 92.2 | Very high | 89.6 | Confident | 111 Ų | 111 | 62.4 Ų | 62.4 | 68% | 0.681 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64 | -45.6 | -177.4 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | D56 A62 | D56-T58 VanDerWaalsContact C-N 3.26Å; D56-T58 PolarHBondContact O-N 3.05Å; T58-A62 WeakPolarHBondContact O-CB 3.34Å; T58-A62 PolarHBondContact O-N 3.38Å; T58-A62 VanDerWaalsContact O-N 3.09Å |
| 59 | S | 93.2 | Very high | 90.4 | Very high | 38 Ų | 38 | 58.1 Ų | 58.1 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.3 | -40.4 | 177.6 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | D56 N61 A62 E63 Y189 | D56-S59 WeakPolarHBondContact CB-OG 3.45Å; D56-S59 PolarHBondContact O-OG 3.05Å; S59-N61 PolarHBondContact O-N 3.27Å; S59-A62 PolarHBondContact O-N 2.93Å; S59-E63 WeakPolarHBondContact O-CG 3.47Å; S59-E63 PolarHBondContact O-N 2.91Å; S59-Y189 PolarHBondContact OG-OH 3.33Å |
| 60 | M | 93 | Very high | 91 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59 | -49.8 | 175.7 | -178.2 | -173.8 | 60.3 | 0 | 0 | 111.7 | D56 I57 A62 E63 M64 Y189 L212 T215 | D56-M60 PolarHBondContact O-N 3.35Å; I57-M60 HydrophobicContact CG2-CE 4.35Å; I57-M60 PolarHBondContact O-N 3.43Å; M60-A62 VanDerWaalsContact C-N 3.32Å; M60-A62 PolarHBondContact O-N 2.9Å; M60-E63 PolarHBondContact O-N 2.97Å; M60-M64 VanDerWaalsContact O-CG 3.27Å; M60-M64 WeakPolarHBondContact O-CG 3.32Å; M60-M64 PolarHBondContact O-N 2.86Å; M60-Y189 VanDerWaalsContact CA-CZ 3.49Å; M60-Y189 WeakPolarHBondContact CA-OH 3.38Å; M60-Y189 HydrophobicContact CB-CD1 4.27Å; M60-Y189 HydrophobicContact CB-CD2 4.3Å; M60-Y189 HydrophobicContact CB-CE1 3.79Å; M60-Y189 HydrophobicContact CB-CE2 3.89Å; M60-Y189 HydrophobicContact CG-CD2 3.95Å; M60-Y189 HydrophobicContact CG-CE1 4.44Å; M60-Y189 HydrophobicContact CG-CE2 3.91Å; M60-Y189 HydrophobicContact CG-CG 4.32Å; M60-Y189 PolarHBondContact N-OH 3.21Å; M60-L212 HydrophobicContact CE-CD2 4.29Å; M60-L212 HydrophobicContact SD-CD2 3.26Å; M60-L212 WeakPolarHBondContact SD-CD2 3.37Å; M60-T215 HydrophobicContact CE-CG2 3.87Å |
| 61 | N | 94.6 | Very high | 91.7 | Very high | 46 Ų | 46 | 50.1 Ų | 50.1 | 25% | 0.246 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 179.6 | -73.6 | -16.1 | 0 | 0 | 0 | 111.4 | I57 S59 M64 E65 | I57-N61 WeakPolarHBondContact O-CB 3.36Å; I57-N61 PolarHBondContact O-N 3.04Å; S59-N61 PolarHBondContact O-N 3.27Å; N61-M64 PolarHBondContact O-N 2.98Å; N61-E65 WeakPolarHBondContact O-CB 3.49Å; N61-E65 VanDerWaalsContact O-CG 3.28Å; N61-E65 WeakPolarHBondContact O-CG 3.25Å; N61-E65 PolarHBondContact O-N 3.2Å |
| 62 | A | 96.1 | Very high | 92.4 | Very high | 55 Ų | 55 | 55.1 Ų | 55.1 | 46% | 0.455 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T58 S59 M60 E65 A66 | T58-A62 WeakPolarHBondContact O-CB 3.34Å; T58-A62 PolarHBondContact O-N 3.38Å; T58-A62 VanDerWaalsContact O-N 3.09Å; S59-A62 PolarHBondContact O-N 2.93Å; M60-A62 VanDerWaalsContact C-N 3.32Å; M60-A62 PolarHBondContact O-N 2.9Å; A62-E65 PolarHBondContact O-N 2.95Å; A62-A66 WeakPolarHBondContact O-CB 3.46Å; A62-A66 PolarHBondContact O-N 3.29Å |
| 63 | E | 95.9 | Very high | 92.8 | Very high | 74 Ų | 74 | 59 Ų | 59 | 35% | 0.346 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 175.6 | -74.3 | 177.1 | -143.6 | 0 | 0 | 111.9 | S59 M60 E65 A66 E67 V185 Y189 | S59-E63 WeakPolarHBondContact O-CG 3.47Å; S59-E63 PolarHBondContact O-N 2.91Å; M60-E63 PolarHBondContact O-N 2.97Å; E63-E65 PolarHBondContact O-N 3.44Å; E63-A66 WeakPolarHBondContact O-CB 3.39Å; E63-A66 PolarHBondContact O-N 2.86Å; E63-E67 PolarHBondContact O-N 3.4Å; E63-E67 VanDerWaalsContact O-N 3.12Å; E63-V185 HydrophobicContact CB-CG1 3.98Å; E63-Y189 VanDerWaalsContact CD-OH 3.28Å; E63-Y189 PolarHBondContact OE1-OH 2.94Å |
| 64 | M | 95.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 177.2 | -65.3 | -65.4 | -170.5 | 0 | 0 | 112 | M60 N61 E67 L68 L182 V185 M186 Y219 | M60-M64 VanDerWaalsContact O-CG 3.27Å; M60-M64 WeakPolarHBondContact O-CG 3.32Å; M60-M64 PolarHBondContact O-N 2.86Å; N61-M64 PolarHBondContact O-N 2.98Å; M64-E67 PolarHBondContact O-N 3.46Å; M64-L68 PolarHBondContact O-N 3.21Å; M64-L68 VanDerWaalsContact O-N 3.16Å; M64-L182 HydrophobicContact CB-CD2 4.24Å; M64-L182 HydrophobicContact CG-CD2 4.43Å; M64-L182 HydrophobicContact SD-CB 4.26Å; M64-L182 HydrophobicContact SD-CD2 3.37Å; M64-L182 WeakPolarHBondContact SD-CD2 3.49Å; M64-L182 HydrophobicContact SD-CG 4.41Å; M64-V185 HydrophobicContact CE-CB 3.83Å; M64-V185 HydrophobicContact CE-CG1 3.54Å; M64-V185 HydrophobicContact CG-CG1 4.27Å; M64-V185 HydrophobicContact SD-CB 3.9Å; M64-V185 HydrophobicContact SD-CG1 3.76Å; M64-M186 HydrophobicContact CE-CB 4.21Å; M64-Y219 HydrophobicContact CB-CD1 3.95Å; M64-Y219 HydrophobicContact CB-CD2 3.77Å; M64-Y219 HydrophobicContact CB-CE1 3.99Å; M64-Y219 HydrophobicContact CB-CE2 3.81Å; M64-Y219 HydrophobicContact CB-CG 3.87Å; M64-Y219 HydrophobicContact CG-CD2 4.11Å; M64-Y219 HydrophobicContact CG-CE2 4.28Å |
| 65 | E | 96.6 | Very high | 93.9 | Very high | 108 Ų | 108 | 51.4 Ų | 51.4 | 51% | 0.505 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66 | -37.7 | 174.9 | -76.1 | 176.9 | -174.6 | 0 | 0 | 112.5 | N61 A62 E63 E67 L68 A69 Y219 | N61-E65 WeakPolarHBondContact O-CB 3.49Å; N61-E65 VanDerWaalsContact O-CG 3.28Å; N61-E65 WeakPolarHBondContact O-CG 3.25Å; N61-E65 PolarHBondContact O-N 3.2Å; A62-E65 PolarHBondContact O-N 2.95Å; E63-E65 PolarHBondContact O-N 3.44Å; E65-E67 VanDerWaalsContact C-N 3.32Å; E65-E67 PolarHBondContact O-N 2.95Å; E65-L68 PolarHBondContact O-N 3.19Å; E65-A69 WeakPolarHBondContact O-CB 3.5Å; E65-A69 PolarHBondContact O-N 3.4Å; E65-Y219 HydrophobicContact CG-CE1 3.65Å; E65-Y219 PolarHBondContact OE1-OH 3.15Å |
| 66 | A | 97.4 | Very high | 94.2 | Very high | 43 Ų | 43 | 55 Ų | 55 | 36% | 0.355 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A62 E63 A69 K70 | A62-A66 WeakPolarHBondContact O-CB 3.46Å; A62-A66 PolarHBondContact O-N 3.29Å; E63-A66 WeakPolarHBondContact O-CB 3.39Å; E63-A66 PolarHBondContact O-N 2.86Å; A66-A69 PolarHBondContact O-N 3.3Å; A66-K70 VanDerWaalsContact O-CG 3.32Å; A66-K70 WeakPolarHBondContact O-CG 3.47Å; A66-K70 PolarHBondContact O-N 2.84Å |
| 67 | E | 96.6 | Very high | 94.1 | Very high | 21 Ų | 21 | 56.7 Ų | 56.7 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 174.9 | -69.2 | -51.6 | 135.3 | 0 | 0 | 112.7 | E63 M64 E65 A69 K70 L71 R181 L182 V185 | E63-E67 PolarHBondContact O-N 3.4Å; E63-E67 VanDerWaalsContact O-N 3.12Å; M64-E67 PolarHBondContact O-N 3.46Å; E65-E67 VanDerWaalsContact C-N 3.32Å; E65-E67 PolarHBondContact O-N 2.95Å; E67-A69 VanDerWaalsContact C-N 3.35Å; E67-K70 WeakPolarHBondContact O-CB 3.35Å; E67-K70 PolarHBondContact O-N 3.08Å; E67-K70 IonicContact OE1-NZ 3.47Å; E67-K70 PolarHBondContact OE1-NZ 3.49Å; E67-K70 IonicContact OE2-NZ 2.68Å; E67-L71 PolarHBondContact O-N 3.15Å; E67-R181 HydrophobicContact CG-CB 4.21Å; E67-R181 WeakPolarHBondContact OE2-CB 3.46Å; E67-R181 WeakPolarHBondContact OE2-CD 3.4Å; E67-R181 IonicContact OE2-NH1 2.72Å; E67-L182 HydrophobicContact CB-CD2 4.01Å; E67-V185 HydrophobicContact CG-CG2 4.38Å |
| 68 | L | 95.9 | Very high | 93.9 | Very high | 16 Ų | 16 | 60.6 Ų | 60.6 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.8 | -38 | 172.2 | -73.7 | -171.2 | 0 | 0 | 0 | 112.4 | M64 E65 K70 L71 K72 Y219 K222 | M64-L68 PolarHBondContact O-N 3.21Å; M64-L68 VanDerWaalsContact O-N 3.16Å; E65-L68 PolarHBondContact O-N 3.19Å; L68-K70 VanDerWaalsContact C-N 3.35Å; L68-L71 WeakPolarHBondContact O-CB 3.37Å; L68-L71 PolarHBondContact O-N 3.39Å; L68-K72 WeakPolarHBondContact O-CG 3.38Å; L68-K72 PolarHBondContact O-N 2.73Å; L68-Y219 HydrophobicContact CD1-CD1 3.6Å; L68-Y219 HydrophobicContact CD1-CE1 4.28Å; L68-Y219 HydrophobicContact CG-CD1 4.23Å; L68-K222 HydrophobicContact CD1-CB 3.87Å; L68-K222 HydrophobicContact CD1-CD 4.04Å |
| 69 | A | 97 | Very high | 93.5 | Very high | 37 Ų | 37 | 55.7 Ų | 55.7 | 31% | 0.306 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | E65 A66 E67 K72 R73 | E65-A69 WeakPolarHBondContact O-CB 3.5Å; E65-A69 PolarHBondContact O-N 3.4Å; A66-A69 PolarHBondContact O-N 3.3Å; E67-A69 VanDerWaalsContact C-N 3.35Å; A69-K72 PolarHBondContact O-N 3.41Å; A69-R73 WeakPolarHBondContact O-CG 3.26Å; A69-R73 PolarHBondContact O-N 3.44Å |
| 70 | K | 96.8 | Very high | 92.9 | Very high | 89 Ų | 89 | 55.5 Ų | 55.5 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 172 | -72.3 | 170.9 | -171.2 | 172.8 | 0 | 111.3 | A66 E67 L68 K72 R73 Q74 | A66-K70 VanDerWaalsContact O-CG 3.32Å; A66-K70 WeakPolarHBondContact O-CG 3.47Å; A66-K70 PolarHBondContact O-N 2.84Å; E67-K70 WeakPolarHBondContact O-CB 3.35Å; E67-K70 PolarHBondContact O-N 3.08Å; E67-K70 IonicContact OE1-NZ 3.47Å; E67-K70 PolarHBondContact OE1-NZ 3.49Å; E67-K70 IonicContact OE2-NZ 2.68Å; L68-K70 VanDerWaalsContact C-N 3.35Å; K70-K72 PolarHBondContact O-N 3.06Å; K70-R73 PolarHBondContact O-N 3.14Å; K70-Q74 WeakPolarHBondContact O-CG 3.23Å; K70-Q74 PolarHBondContact O-N 3.35Å |
| 71 | L | 95.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.1 | -46.3 | 176.6 | -178.5 | 65.3 | 0 | 0 | 0 | 111.7 | E67 L68 R73 Q74 Y75 L174 C178 | E67-L71 PolarHBondContact O-N 3.15Å; L68-L71 WeakPolarHBondContact O-CB 3.37Å; L68-L71 PolarHBondContact O-N 3.39Å; L71-R73 VanDerWaalsContact C-N 3.33Å; L71-R73 PolarHBondContact O-N 3.33Å; L71-Q74 PolarHBondContact O-N 2.93Å; L71-Y75 HydrophobicContact CD1-CD1 4.17Å; L71-Y75 HydrophobicContact CD1-CE1 3.65Å; L71-Y75 HydrophobicContact CD1-CE2 4.24Å; L71-Y75 HydrophobicContact CD2-CE2 4.25Å; L71-Y75 HydrophobicContact CG-CD2 4.41Å; L71-Y75 HydrophobicContact CG-CE1 4.3Å; L71-Y75 HydrophobicContact CG-CE2 4.03Å; L71-Y75 PolarHBondContact O-N 2.9Å; L71-L174 HydrophobicContact CD1-CB 4.07Å; L71-C178 HydrophobicContact CB-CB 4.35Å; L71-C178 HydrophobicContact CD1-CB 4.07Å; L71-C178 HydrophobicContact CD2-CB 4.05Å; L71-C178 HydrophobicContact CG-CB 4.38Å |
| 72 | K | 94.7 | Very high | 90.5 | Very high | 115 Ų | 115 | 61.1 Ų | 61.1 | 50% | 0.5 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58 | -43.5 | 176.1 | -71.7 | 179.1 | -179.7 | -179.9 | 0 | 112.2 | L68 A69 K70 Y75 S76 L226 | L68-K72 WeakPolarHBondContact O-CG 3.38Å; L68-K72 PolarHBondContact O-N 2.73Å; A69-K72 PolarHBondContact O-N 3.41Å; K70-K72 PolarHBondContact O-N 3.06Å; K72-Y75 PolarHBondContact O-N 3.22Å; K72-S76 PolarHBondContact O-N 3.39Å; K72-S76 PolarHBondContact O-OG 2.91Å; K72-L226 HydrophobicContact CG-CD1 4.12Å |
| 73 | R | 94.1 | Very high | 88.9 | Confident | 168 Ų | 168 | 62.1 Ų | 62.1 | 63% | 0.634 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.6 | -44.5 | 176.3 | -69.3 | 174.8 | -173 | 169.9 | 2.8 | 111.8 | A69 K70 L71 Y75 S76 Q77 | A69-R73 WeakPolarHBondContact O-CG 3.26Å; A69-R73 PolarHBondContact O-N 3.44Å; K70-R73 PolarHBondContact O-N 3.14Å; L71-R73 VanDerWaalsContact C-N 3.33Å; L71-R73 PolarHBondContact O-N 3.33Å; R73-Y75 VanDerWaalsContact C-N 3.34Å; R73-Y75 PolarHBondContact O-N 3.18Å; R73-S76 PolarHBondContact O-N 2.93Å; R73-Q77 WeakPolarHBondContact O-CG 3.47Å; R73-Q77 PolarHBondContact O-N 2.89Å |
| 74 | Q | 93.4 | Very high | 87.4 | Confident | 30 Ų | 30 | 60.6 Ų | 60.6 | 14% | 0.14 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 177.4 | -70.4 | 179 | -62.3 | 0 | 0 | 111.6 | K70 L71 Q77 Q78 L174 | K70-Q74 WeakPolarHBondContact O-CG 3.23Å; K70-Q74 PolarHBondContact O-N 3.35Å; L71-Q74 PolarHBondContact O-N 2.93Å; Q74-Q77 PolarHBondContact O-N 3.27Å; Q74-Q78 WeakPolarHBondContact O-CB 3.24Å; Q74-Q78 PolarHBondContact O-N 3.5Å; Q74-L174 HydrophobicContact CB-CD1 4.26Å; Q74-L174 HydrophobicContact CB-CD2 4.37Å |
| 75 | Y | 92.8 | Very high | 86.4 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 3% | 0.027 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 174.6 | -73.4 | -8.6 | 0 | 0 | 0 | 112.4 | L71 K72 R73 Q77 L79 A171 L174 L226 K230 | L71-Y75 HydrophobicContact CD1-CD1 4.17Å; L71-Y75 HydrophobicContact CD1-CE1 3.65Å; L71-Y75 HydrophobicContact CD1-CE2 4.24Å; L71-Y75 HydrophobicContact CD2-CE2 4.25Å; L71-Y75 HydrophobicContact CG-CD2 4.41Å; L71-Y75 HydrophobicContact CG-CE1 4.3Å; L71-Y75 HydrophobicContact CG-CE2 4.03Å; L71-Y75 PolarHBondContact O-N 2.9Å; K72-Y75 PolarHBondContact O-N 3.22Å; R73-Y75 VanDerWaalsContact C-N 3.34Å; R73-Y75 PolarHBondContact O-N 3.18Å; Y75-Q77 VanDerWaalsContact C-N 3.31Å; Y75-Q77 PolarHBondContact O-N 3.49Å; Y75-L79 HydrophobicContact CD1-CD1 3.27Å; Y75-L79 HydrophobicContact CD1-CG 4.21Å; Y75-L79 HydrophobicContact CE1-CD1 3.67Å; Y75-L79 HydrophobicContact CG-CD1 3.87Å; Y75-L79 CarbonylContact O-C 3.6Å; Y75-L79 WeakPolarHBondContact O-CA 3.34Å; Y75-L79 VanDerWaalsContact O-CB 3.31Å; Y75-L79 WeakPolarHBondContact O-CB 3.36Å; Y75-L79 PolarHBondContact O-N 3.42Å; Y75-A171 HydrophobicContact CE1-CB 4.35Å; Y75-A171 PolarHBondContact OH-O 3.12Å; Y75-L174 HydrophobicContact CD1-CB 4.4Å; Y75-L174 HydrophobicContact CD1-CD1 3.72Å; Y75-L174 HydrophobicContact CE1-CB 3.78Å; Y75-L174 HydrophobicContact CE1-CD1 3.86Å; Y75-L226 HydrophobicContact CE2-CB 4.28Å; Y75-K230 HydrophobicContact CD2-CG 3.79Å; Y75-K230 HydrophobicContact CE2-CG 4.15Å; Y75-K230 HydrophobicContact CG-CG 4.44Å |
| 76 | S | 88.8 | Confident | 85.4 | Confident | 81 Ų | 81 | 58.5 Ų | 58.5 | 57% | 0.566 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.3 | -36.3 | 177 | -59.2 | 0 | 0 | 0 | 0 | 113 | K72 R73 S80 N83 | K72-S76 PolarHBondContact O-N 3.39Å; K72-S76 PolarHBondContact O-OG 2.91Å; R73-S76 PolarHBondContact O-N 2.93Å; S76-S80 VanDerWaalsContact O-CB 3.3Å; S76-S80 WeakPolarHBondContact O-CB 3.13Å; S76-N83 PolarHBondContact O-ND2 3.44Å |
| 77 | Q | 85.6 | Confident | 84.5 | Confident | 136 Ų | 136 | 58.6 Ų | 58.6 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -79.8 | -39.7 | -178.4 | -71.5 | 174 | -11.9 | 0 | 0 | 113.4 | R73 Q74 Y75 N83 | R73-Q77 WeakPolarHBondContact O-CG 3.47Å; R73-Q77 PolarHBondContact O-N 2.89Å; Q74-Q77 PolarHBondContact O-N 3.27Å; Y75-Q77 VanDerWaalsContact C-N 3.31Å; Y75-Q77 PolarHBondContact O-N 3.49Å; Q77-N83 PolarHBondContact O-ND2 2.85Å |
| 78 | Q | 86.8 | Confident | 83.9 | Confident | 93 Ų | 93 | 57.6 Ų | 57.6 | 44% | 0.435 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -102.8 | -28.4 | -171.2 | -61.2 | -171.8 | -2.6 | 0 | 0 | 113.9 | Q74 N170 | Q74-Q78 WeakPolarHBondContact O-CB 3.24Å; Q74-Q78 PolarHBondContact O-N 3.5Å; Q78-N170 PolarHBondContact OE1-ND2 3.21Å |
| 79 | L | 84.3 | Confident | 83.2 | Confident | 8 Ų | 8 | 60.6 Ų | 60.6 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -111.7 | 14.4 | -171.7 | -51.4 | 179.8 | 0 | 0 | 0 | 112.8 | Y75 M81 M167 N170 A171 L174 | Y75-L79 HydrophobicContact CD1-CD1 3.27Å; Y75-L79 HydrophobicContact CD1-CG 4.21Å; Y75-L79 HydrophobicContact CE1-CD1 3.67Å; Y75-L79 HydrophobicContact CG-CD1 3.87Å; Y75-L79 CarbonylContact O-C 3.6Å; Y75-L79 WeakPolarHBondContact O-CA 3.34Å; Y75-L79 VanDerWaalsContact O-CB 3.31Å; Y75-L79 WeakPolarHBondContact O-CB 3.36Å; Y75-L79 PolarHBondContact O-N 3.42Å; L79-M81 PolarHBondContact O-N 3.02Å; L79-M167 HydrophobicContact CD2-CB 4.19Å; L79-M167 WeakPolarHBondContact CD2-O 3.36Å; L79-N170 HydrophobicContact CD2-CB 4.03Å; L79-A171 HydrophobicContact CD1-CB 3.48Å; L79-A171 VanDerWaalsContact CD1-CB 3.48Å; L79-L174 HydrophobicContact CD1-CD1 4.35Å; L79-L174 HydrophobicContact CG-CD1 4.43Å |
| 80 | S | 79.9 | Confident | 82.6 | Confident | 33 Ų | 33 | 63.8 Ų | 63.8 | 23% | 0.231 | 33% | 0.33 | C | S | . | . | trans | -79.5 | 121.3 | 172.1 | 172.8 | 0 | 0 | 0 | 0 | 109.9 | S76 Q82 N83 | S76-S80 VanDerWaalsContact O-CB 3.3Å; S76-S80 WeakPolarHBondContact O-CB 3.13Å; S80-Q82 PolarHBondContact O-N 3.36Å; S80-Q82 VanDerWaalsContact O-N 3.13Å; S80-Q82 PolarHBondContact OG-N 2.95Å; S80-N83 WeakPolarHBondContact CB-OD1 3.48Å; S80-N83 PolarHBondContact O-N 3.14Å; S80-N83 VanDerWaalsContact O-N 3.11Å; S80-N83 PolarHBondContact OG-OD1 3.41Å | ||
| 81 | M | 70.9 | Confident | 82.2 | Confident | 46 Ų | 46 | 60.6 Ų | 60.6 | 23% | 0.227 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -22.5 | 172 | -59.9 | -56 | -56.6 | 0 | 0 | 112.7 | L79 N83 P159 R164 M167 L234 | L79-M81 PolarHBondContact O-N 3.02Å; M81-N83 VanDerWaalsContact C-N 3.33Å; M81-P159 HydrophobicContact CE-CB 3.87Å; M81-P159 HydrophobicContact CE-CG 3.18Å; M81-R164 HydrophobicContact CE-CG 3.96Å; M81-M167 HydrophobicContact CE-CE 3.54Å; M81-M167 HydrophobicContact SD-CE 3.2Å; M81-M167 WeakPolarHBondContact SD-CE 3.28Å; M81-M167 HydrophobicContact SD-SD 3.85Å; M81-L234 HydrophobicContact CG-CD2 3.91Å; M81-L234 HydrophobicContact SD-CD2 3.28Å; M81-L234 WeakPolarHBondContact SD-CD2 3.46Å |
| 82 | Q | 65.2 | Low | 81.9 | Confident | 120 Ų | 120 | 66.8 Ų | 66.8 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -10.6 | -178.5 | -59.9 | 178.1 | -8.2 | 0 | 0 | 112.8 | S80 V84 L112 | S80-Q82 PolarHBondContact O-N 3.36Å; S80-Q82 VanDerWaalsContact O-N 3.13Å; S80-Q82 PolarHBondContact OG-N 2.95Å; Q82-V84 PolarHBondContact O-N 3.35Å; Q82-L112 HydrophobicContact CB-CD1 4.22Å |
| 83 | N | 63.8 | Low | 81.6 | Confident | 76 Ų | 76 | 61.3 Ų | 61.3 | 41% | 0.406 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 49.4 | -174.2 | -71.4 | 7.1 | 0 | 0 | 0 | 113 | S76 Q77 S80 M81 L85 | S76-N83 PolarHBondContact O-ND2 3.44Å; Q77-N83 PolarHBondContact O-ND2 2.85Å; S80-N83 WeakPolarHBondContact CB-OD1 3.48Å; S80-N83 PolarHBondContact O-N 3.14Å; S80-N83 VanDerWaalsContact O-N 3.11Å; S80-N83 PolarHBondContact OG-OD1 3.41Å; M81-N83 VanDerWaalsContact C-N 3.33Å; N83-L85 VanDerWaalsContact C-N 3.29Å |
| 84 | V | 64.5 | Low | 81.3 | Confident | 43 Ų | 43 | 59.4 Ų | 59.4 | 26% | 0.261 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -21.9 | 159 | -162.4 | 0 | 0 | 0 | 0 | 110.3 | Q82 G86 A87 F88 L156 | Q82-V84 PolarHBondContact O-N 3.35Å; V84-G86 PolarHBondContact O-N 2.82Å; V84-A87 VanDerWaalsContact O-CB 3.31Å; V84-A87 WeakPolarHBondContact O-CB 3.26Å; V84-A87 PolarHBondContact O-N 3.22Å; V84-F88 HydrophobicContact CG1-CD2 4.39Å; V84-F88 HydrophobicContact CG1-CE2 3.83Å; V84-F88 WeakPolarHBondContact O-CD2 3.49Å; V84-L156 HydrophobicContact CB-CD1 3.89Å; V84-L156 HydrophobicContact CB-CD2 4.41Å; V84-L156 HydrophobicContact CG1-CD1 4.33Å; V84-L156 HydrophobicContact CG1-CD2 3.94Å; V84-L156 HydrophobicContact CG2-CD1 4.04Å |
| 85 | L | 74.1 | Confident | 80.9 | Confident | 37 Ų | 37 | 59.2 Ų | 59.2 | 19% | 0.194 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -51.2 | -42.7 | 175.6 | -69.7 | 179.6 | 0 | 0 | 0 | 112.7 | N83 A87 F88 E89 I110 L112 | N83-L85 VanDerWaalsContact C-N 3.29Å; L85-A87 PolarHBondContact O-N 3.1Å; L85-F88 PolarHBondContact O-N 2.94Å; L85-E89 WeakPolarHBondContact O-CG 3.42Å; L85-E89 PolarHBondContact O-N 3.5Å; L85-I110 HydrophobicContact CD2-CB 4.46Å; L85-I110 HydrophobicContact CD2-CG2 3.5Å; L85-L112 HydrophobicContact CD1-CD1 3.98Å; L85-L112 HydrophobicContact CD1-CG 3.93Å; L85-L112 HydrophobicContact CD2-CD2 3.79Å; L85-L112 HydrophobicContact CD2-CG 3.81Å; L85-L112 HydrophobicContact CG-CD1 4.06Å; L85-L112 HydrophobicContact CG-CD2 4.11Å; L85-L112 HydrophobicContact CG-CG 3.88Å |
| 86 | G | 74.8 | Confident | 80.3 | Confident | 28 Ų | 28 | 63 Ų | 63 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.8 | -29.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V84 T90 | V84-G86 PolarHBondContact O-N 2.82Å; G86-T90 PolarHBondContact O-N 2.74Å; G86-T90 PolarHBondContact O-OG1 3.38Å |
| 87 | A | 78.6 | Confident | 79.9 | Confident | 46 Ų | 46 | 63.4 Ų | 63.4 | 38% | 0.38 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67 | -44 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V84 L85 L91 M141 | V84-A87 VanDerWaalsContact O-CB 3.31Å; V84-A87 WeakPolarHBondContact O-CB 3.26Å; V84-A87 PolarHBondContact O-N 3.22Å; L85-A87 PolarHBondContact O-N 3.1Å; A87-L91 WeakPolarHBondContact O-CG 3.43Å; A87-M141 HydrophobicContact CB-SD 4.5Å |
| 88 | F | 83.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.8 | -38.1 | 176.1 | -65.6 | -80.7 | 0 | 0 | 0 | 112.6 | V84 L85 T90 L91 L104 I110 A118 I120 M141 V154 L156 | V84-F88 HydrophobicContact CG1-CD2 4.39Å; V84-F88 HydrophobicContact CG1-CE2 3.83Å; V84-F88 WeakPolarHBondContact O-CD2 3.49Å; L85-F88 PolarHBondContact O-N 2.94Å; F88-T90 PolarHBondContact O-N 3.05Å; F88-L91 HydrophobicContact CD1-CD1 3.99Å; F88-L91 WeakPolarHBondContact O-CB 3.27Å; F88-L91 PolarHBondContact O-N 3.2Å; F88-L91 VanDerWaalsContact O-N 3.14Å; F88-L104 HydrophobicContact CB-CD2 4.31Å; F88-L104 WeakPolarHBondContact O-CD2 3.36Å; F88-I110 HydrophobicContact CB-CD1 3.81Å; F88-I110 HydrophobicContact CB-CG2 4.32Å; F88-A118 HydrophobicContact CE2-CB 4.29Å; F88-I120 HydrophobicContact CD1-CD1 4.14Å; F88-I120 HydrophobicContact CE1-CD1 4.44Å; F88-M141 HydrophobicContact CD1-CE 3.89Å; F88-M141 HydrophobicContact CE1-CE 3.22Å; F88-M141 HydrophobicContact CE1-SD 4.47Å; F88-M141 HydrophobicContact CE2-CE 4.31Å; F88-M141 HydrophobicContact CZ-CE 3.46Å; F88-M141 VanDerWaalsContact CZ-CE 3.46Å; F88-M141 HydrophobicContact CZ-SD 4.27Å; F88-V154 HydrophobicContact CE1-CB 4.43Å; F88-V154 HydrophobicContact CE1-CG1 4Å; F88-V154 HydrophobicContact CE1-CG2 4.5Å; F88-V154 HydrophobicContact CZ-CB 4.32Å; F88-V154 HydrophobicContact CZ-CG1 3.8Å; F88-L156 HydrophobicContact CE2-CD2 3.43Å; F88-L156 VanDerWaalsContact CE2-CD2 3.43Å; F88-L156 HydrophobicContact CZ-CD2 3.61Å |
| 89 | E | 82.3 | Confident | 79.2 | Confident | 79 Ų | 79 | 64.6 Ų | 64.6 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.5 | -31.7 | 178.8 | -73.4 | 169.7 | -168.9 | 0 | 0 | 112.6 | L85 L91 N105 I110 | L85-E89 WeakPolarHBondContact O-CG 3.42Å; L85-E89 PolarHBondContact O-N 3.5Å; E89-L91 VanDerWaalsContact C-N 3.32Å; E89-N105 HydrophobicContact CG-CB 4.44Å; E89-I110 HydrophobicContact CG-CD1 3.99Å |
| 90 | T | 85.1 | Confident | 79.3 | Confident | 103 Ų | 103 | 71.3 Ų | 71.3 | 63% | 0.632 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -5.5 | 179.7 | -46.4 | 0 | 0 | 0 | 0 | 112.4 | G86 F88 E92 | G86-T90 PolarHBondContact O-N 2.74Å; G86-T90 PolarHBondContact O-OG1 3.38Å; F88-T90 PolarHBondContact O-N 3.05Å; T90-E92 PolarHBondContact O-N 3.29Å |
| 91 | L | 87.6 | Confident | 79.6 | Confident | 23 Ų | 23 | 72.4 Ų | 72.4 | 12% | 0.12 | 41% | 0.407 | C | S | . | . | trans | -69.3 | 127.5 | -179.1 | -64 | -178.2 | 0 | 0 | 0 | 111.3 | A87 F88 E89 L104 I136 | A87-L91 WeakPolarHBondContact O-CG 3.43Å; F88-L91 HydrophobicContact CD1-CD1 3.99Å; F88-L91 WeakPolarHBondContact O-CB 3.27Å; F88-L91 PolarHBondContact O-N 3.2Å; F88-L91 VanDerWaalsContact O-N 3.14Å; E89-L91 VanDerWaalsContact C-N 3.32Å; L91-L104 HydrophobicContact CB-CB 4.3Å; L91-L104 HydrophobicContact CD1-CD2 4.46Å; L91-L104 PolarHBondContact O-N 3.45Å; L91-I136 HydrophobicContact CD1-CG1 4.27Å | ||
| 92 | E | 89 | Confident | 80.5 | Confident | 131 Ų | 131 | 72.6 Ų | 72.6 | 61% | 0.612 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 123.3 | 173.5 | -72.6 | -177.5 | -170.1 | 0 | 0 | 110.8 | T90 P101 | T90-E92 PolarHBondContact O-N 3.29Å; E92-P101 HydrophobicContact CB-CB 3.93Å; E92-P101 HydrophobicContact CG-CB 4.22Å |
| 93 | V | 89 | Confident | 81.6 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.8 | 177.8 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | P95 V102 L104 I107 A131 I132 A135 | V93-P95 WeakPolarHBondContact O-CD 3.49Å; V93-V102 PolarHBondContact N-O 3.5Å; V93-V102 PolarHBondContact O-N 3.08Å; V93-L104 HydrophobicContact CG2-CB 3.98Å; V93-L104 HydrophobicContact CG2-CD1 3.72Å; V93-L104 HydrophobicContact CG2-CG 4.43Å; V93-I107 HydrophobicContact CB-CD1 4.11Å; V93-I107 HydrophobicContact CG1-CD1 4.25Å; V93-A131 HydrophobicContact CG1-CB 3.59Å; V93-I132 HydrophobicContact CG1-CG1 4.08Å; V93-I132 HydrophobicContact CG2-CG1 4.43Å; V93-A135 HydrophobicContact CG2-CB 3.79Å |
| 94 | K | 88 | Confident | 82.8 | Confident | 127 Ų | 127 | 67.3 Ų | 67.3 | 55% | 0.552 | 39% | 0.385 | S | S | * | . | trans | -104.8 | 86.9 | 172 | -68.5 | -175.5 | 179.6 | -176 | 0 | 109.4 | P101 A131 | K94-P101 HydrophobicContact CG-CB 4.09Å; K94-A131 VanDerWaalsContact O-CB 3.28Å; K94-A131 WeakPolarHBondContact O-CB 3.47Å | ||
| 95 | P | 84.3 | Confident | 84 | Confident | 26 Ų | 26 | 69.5 Ų | 69.5 | 17% | 0.169 | 40% | 0.396 | C | S | . | . | trans | -65.2 | 150.4 | 176.4 | 26.2 | -32.9 | 0 | 0 | 0 | 110.9 | V93 G97 S98 I107 A128 | V93-P95 WeakPolarHBondContact O-CD 3.49Å; P95-G97 PolarHBondContact O-N 3.45Å; P95-S98 WeakPolarHBondContact CD-OG 3.38Å; P95-S98 VanDerWaalsContact CG-OG 3.27Å; P95-S98 WeakPolarHBondContact CG-OG 3.3Å; P95-S98 PolarHBondContact O-N 2.98Å; P95-S98 VanDerWaalsContact O-N 3.16Å; P95-S98 PolarHBondContact O-OG 3.39Å; P95-I107 HydrophobicContact CB-CD1 4.42Å; P95-I107 HydrophobicContact CG-CD1 3.83Å; P95-A128 HydrophobicContact CB-CB 4.18Å | ||
| 96 | P | 80.8 | Confident | 84.6 | Confident | 86 Ų | 86 | 72.3 Ų | 72.3 | 56% | 0.558 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 129.3 | 177.2 | 25.8 | -33.3 | 0 | 0 | 0 | 110.1 | E127 | P96-E127 HydrophobicContact CG-CB 4.49Š|
| 97 | G | 79.3 | Confident | 85.3 | Confident | 90 Ų | 90 | 72 Ų | 72 | 93% | 0.928 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.5 | -16.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | P95 | P95-G97 PolarHBondContact O-N 3.45Š|
| 98 | S | 79.3 | Confident | 85.8 | Confident | 44 Ų | 44 | 70 Ų | 70 | 31% | 0.308 | 39% | 0.393 | S | S | . | . | trans | -88.3 | 136.2 | 170.8 | 68.8 | 0 | 0 | 0 | 0 | 111.1 | P95 E100 | P95-S98 WeakPolarHBondContact CD-OG 3.38Å; P95-S98 VanDerWaalsContact CG-OG 3.27Å; P95-S98 WeakPolarHBondContact CG-OG 3.3Å; P95-S98 PolarHBondContact O-N 2.98Å; P95-S98 VanDerWaalsContact O-N 3.16Å; P95-S98 PolarHBondContact O-OG 3.39Å; S98-E100 PolarHBondContact OG-O 3.19Å | ||
| 99 | K | 79.4 | Confident | 86.2 | Confident | 210 Ų | 210 | 75.9 Ų | 75.9 | 91% | 0.913 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -81.9 | -27.8 | 173.2 | -68.4 | -176.9 | -179.3 | 178.2 | 0 | 112.1 | ||
| 100 | E | 86.7 | Confident | 86.5 | Confident | 149 Ų | 149 | 73 Ų | 73 | 70% | 0.696 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -108.4 | 146.3 | -174.3 | -64.7 | -176.5 | 175.5 | 0 | 0 | 111.2 | S98 | S98-E100 PolarHBondContact OG-O 3.19Š|
| 101 | P | 86.5 | Confident | 86.7 | Confident | 56 Ų | 56 | 70.9 Ų | 70.9 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | trans | -64.9 | 136.1 | 170.6 | 27.7 | -31.2 | 0 | 0 | 0 | 110.5 | E92 K94 | E92-P101 HydrophobicContact CB-CB 3.93Å; E92-P101 HydrophobicContact CG-CB 4.22Å; K94-P101 HydrophobicContact CG-CB 4.09Å | ||
| 102 | V | 88.6 | Confident | 86.6 | Confident | 50 Ų | 50 | 72.3 Ų | 72.3 | 30% | 0.303 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 144.8 | 177.2 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | V93 I107 | V93-V102 PolarHBondContact N-O 3.5Å; V93-V102 PolarHBondContact O-N 3.08Å; V102-I107 HydrophobicContact CB-CD1 3.99Å; V102-I107 HydrophobicContact CG1-CD1 4.05Å; V102-I107 HydrophobicContact CG1-CG1 4.03Å |
| 103 | L | 89 | Confident | 86.6 | Confident | 84 Ų | 84 | 71.8 Ų | 71.8 | 44% | 0.44 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 138.6 | 176.4 | -67.3 | 164.9 | 0 | 0 | 0 | 110.9 | N105 S106 | L103-N105 PolarHBondContact O-N 2.96Å; L103-N105 VanDerWaalsContact O-N 3.15Å; L103-S106 WeakPolarHBondContact O-CB 3.42Å; L103-S106 PolarHBondContact O-N 3.36Å |
| 104 | L | 88.9 | Confident | 86.4 | Confident | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.005 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -54.5 | -37.3 | -179.3 | -179 | 65.9 | 0 | 0 | 0 | 112.3 | F88 L91 V93 S106 I107 A108 I110 I120 I132 | F88-L104 HydrophobicContact CB-CD2 4.31Å; F88-L104 WeakPolarHBondContact O-CD2 3.36Å; L91-L104 HydrophobicContact CB-CB 4.3Å; L91-L104 HydrophobicContact CD1-CD2 4.46Å; L91-L104 PolarHBondContact O-N 3.45Å; V93-L104 HydrophobicContact CG2-CB 3.98Å; V93-L104 HydrophobicContact CG2-CD1 3.72Å; V93-L104 HydrophobicContact CG2-CG 4.43Å; L104-S106 PolarHBondContact O-N 3.39Å; L104-I107 PolarHBondContact O-N 3.41Å; L104-I107 VanDerWaalsContact O-N 3.1Å; L104-A108 HydrophobicContact CD1-CB 4.15Å; L104-A108 PolarHBondContact O-N 2.95Å; L104-I110 HydrophobicContact CD2-CD1 3.94Å; L104-I110 HydrophobicContact CD2-CG1 4.41Å; L104-I110 HydrophobicContact CG-CD1 4.17Å; L104-I120 HydrophobicContact CD1-CG2 4.5Å; L104-I120 HydrophobicContact CD2-CD1 4.24Å; L104-I132 HydrophobicContact CD1-CB 4.31Å; L104-I132 HydrophobicContact CD1-CD1 4.09Å; L104-I132 HydrophobicContact CD1-CG1 3.74Å; L104-I132 HydrophobicContact CD1-CG2 3.76Å |
| 105 | N | 89.3 | Confident | 86 | Confident | 90 Ų | 90 | 74.4 Ų | 74.4 | 48% | 0.481 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.5 | -27.3 | 180 | -169.3 | 24.5 | 0 | 0 | 0 | 113.7 | E89 L103 I107 A108 | E89-N105 HydrophobicContact CG-CB 4.44Å; L103-N105 PolarHBondContact O-N 2.96Å; L103-N105 VanDerWaalsContact O-N 3.15Å; N105-I107 VanDerWaalsContact C-N 3.33Å; N105-A108 CarbonylContact C-O 3.28Å; N105-A108 WeakPolarHBondContact CA-O 3.27Å |
| 106 | S | 87.9 | Confident | 86 | Confident | 95 Ų | 95 | 79.5 Ų | 79.5 | 66% | 0.664 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -76.5 | -24.6 | 177.2 | -57.8 | 0 | 0 | 0 | 0 | 112.6 | L103 L104 | L103-S106 WeakPolarHBondContact O-CB 3.42Å; L103-S106 PolarHBondContact O-N 3.36Å; L104-S106 PolarHBondContact O-N 3.39Å |
| 107 | I | 88.6 | Confident | 86.4 | Confident | 22 Ų | 22 | 78.2 Ų | 78.2 | 11% | 0.113 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -97.5 | -41 | -176 | -63.7 | 171.3 | 0 | 0 | 0 | 110.3 | V93 P95 V102 L104 N105 S124 S125 A128 I132 | V93-I107 HydrophobicContact CB-CD1 4.11Å; V93-I107 HydrophobicContact CG1-CD1 4.25Å; P95-I107 HydrophobicContact CB-CD1 4.42Å; P95-I107 HydrophobicContact CG-CD1 3.83Å; V102-I107 HydrophobicContact CB-CD1 3.99Å; V102-I107 HydrophobicContact CG1-CD1 4.05Å; V102-I107 HydrophobicContact CG1-CG1 4.03Å; L104-I107 PolarHBondContact O-N 3.41Å; L104-I107 VanDerWaalsContact O-N 3.1Å; N105-I107 VanDerWaalsContact C-N 3.33Å; I107-S124 PolarHBondContact O-OG 3.16Å; I107-S125 WeakPolarHBondContact CG2-OG 3.35Å; I107-S125 PolarHBondContact O-OG 3.25Å; I107-A128 HydrophobicContact CG2-CB 4.05Å; I107-I132 HydrophobicContact CG2-CD1 4.47Å |
| 108 | A | 89.4 | Confident | 86.8 | Confident | 3 Ų | 3 | 74 Ų | 74 | 3% | 0.025 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -132.5 | 146.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L104 N105 I120 N121 F122 I132 | L104-A108 HydrophobicContact CD1-CB 4.15Å; L104-A108 PolarHBondContact O-N 2.95Å; N105-A108 CarbonylContact C-O 3.28Å; N105-A108 WeakPolarHBondContact CA-O 3.27Å; A108-I120 HydrophobicContact CB-CG2 3.63Å; A108-N121 CarbonylContact C-O 3.59Å; A108-N121 VanDerWaalsContact CA-O 3.29Å; A108-N121 WeakPolarHBondContact CA-O 3.36Å; A108-N121 WeakPolarHBondContact CB-O 3.42Å; A108-F122 HydrophobicContact CB-CB 4.05Å; A108-I132 HydrophobicContact CB-CD1 4.39Å |
| 109 | Q | 90.4 | Very high | 87.4 | Confident | 124 Ų | 124 | 72.7 Ų | 72.7 | 58% | 0.579 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123.8 | 174.7 | -172.3 | -178 | 5.7 | 0 | 0 | 110 | T111 N121 | Q109-T111 HydrophobicContact CG-CG2 4.28Å; Q109-N121 HydrophobicContact CB-CB 4.48Å; Q109-N121 PolarHBondContact N-O 2.88Å; Q109-N121 PolarHBondContact O-N 3.08Å |
| 110 | I | 89.5 | Confident | 88 | Confident | 18 Ų | 18 | 62.7 Ų | 62.7 | 9% | 0.092 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.5 | -178.7 | -48.2 | 162.2 | 0 | 0 | 0 | 108.7 | L85 F88 E89 L104 I120 | L85-I110 HydrophobicContact CD2-CB 4.46Å; L85-I110 HydrophobicContact CD2-CG2 3.5Å; F88-I110 HydrophobicContact CB-CD1 3.81Å; F88-I110 HydrophobicContact CB-CG2 4.32Å; E89-I110 HydrophobicContact CG-CD1 3.99Å; L104-I110 HydrophobicContact CD2-CD1 3.94Å; L104-I110 HydrophobicContact CD2-CG1 4.41Å; L104-I110 HydrophobicContact CG-CD1 4.17Å; I110-I120 HydrophobicContact CG1-CG1 4.43Å; I110-I120 HydrophobicContact CG2-CG1 4.25Å |
| 111 | T | 89.2 | Confident | 88.2 | Confident | 59 Ų | 59 | 58.3 Ų | 58.3 | 36% | 0.362 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 158.6 | 178.2 | 58.1 | 0 | 0 | 0 | 0 | 110.6 | Q109 V119 | Q109-T111 HydrophobicContact CG-CG2 4.28Å; T111-V119 PolarHBondContact N-O 3.36Å; T111-V119 PolarHBondContact O-N 3.04Å; T111-V119 PolarHBondContact OG1-O 3.37Å |
| 112 | L | 86.7 | Confident | 88.4 | Confident | 53 Ų | 53 | 55.8 Ų | 55.8 | 28% | 0.277 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123.4 | 171.9 | -66.2 | 173.9 | 0 | 0 | 0 | 109.1 | Q82 L85 A118 L156 | Q82-L112 HydrophobicContact CB-CD1 4.22Å; L85-L112 HydrophobicContact CD1-CD1 3.98Å; L85-L112 HydrophobicContact CD1-CG 3.93Å; L85-L112 HydrophobicContact CD2-CD2 3.79Å; L85-L112 HydrophobicContact CD2-CG 3.81Å; L85-L112 HydrophobicContact CG-CD1 4.06Å; L85-L112 HydrophobicContact CG-CD2 4.11Å; L85-L112 HydrophobicContact CG-CG 3.88Å; L112-A118 HydrophobicContact CD2-CB 4.1Å; L112-L156 HydrophobicContact CD2-CD1 3.91Å |
| 113 | K | 87.4 | Confident | 88.4 | Confident | 121 Ų | 121 | 56 Ų | 56 | 53% | 0.526 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -44.2 | 169.1 | 177.6 | 172.4 | -178.2 | 176.9 | 0 | 110.7 | M117 V119 Y153 | K113-M117 HydrophobicContact CD-CE 4.37Å; K113-M117 PolarHBondContact N-O 3.4Å; K113-V119 HydrophobicContact CB-CG2 3.54Å; K113-V119 HydrophobicContact CD-CG2 4.42Å; K113-Y153 HydrophobicContact CD-CE1 4.14Å |
| 114 | N | 84.7 | Confident | 88.2 | Confident | 83 Ų | 83 | 56.6 Ų | 56.6 | 44% | 0.444 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 159.7 | 176.9 | -74.7 | -30.8 | 0 | 0 | 0 | 107.7 | R116 M117 | N114-R116 PolarHBondContact O-N 3.37Å; N114-M117 PolarHBondContact N-O 3.17Å; N114-M117 CarbonylContact O-C 3.52Å; N114-M117 PolarHBondContact O-N 2.92Å; N114-M117 VanDerWaalsContact O-O 3.05Å |
| 115 | P | 81.2 | Confident | 88 | Confident | 98 Ų | 98 | 58 Ų | 58 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -9.6 | 175.2 | 25 | -35.5 | 0 | 0 | 0 | 114 | ||
| 116 | R | 83.3 | Confident | 87.8 | Confident | 134 Ų | 134 | 57.2 Ų | 57.2 | 51% | 0.506 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -2.4 | 176.8 | -58.2 | -174.1 | -170.1 | 159.8 | 10.3 | 114.1 | N114 P155 L156 | N114-R116 PolarHBondContact O-N 3.37Å; R116-P155 CarbonylContact O-C 3.59Å; R116-P155 WeakPolarHBondContact O-CA 3.47Å; R116-L156 PolarHBondContact O-N 2.61Å |
| 117 | M | 88.2 | Confident | 87.7 | Confident | 59 Ų | 59 | 60.4 Ų | 60.4 | 29% | 0.291 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 116.7 | -178.5 | -65.5 | -157.3 | -60.3 | 0 | 0 | 111.4 | K113 N114 V154 | K113-M117 HydrophobicContact CD-CE 4.37Å; K113-M117 PolarHBondContact N-O 3.4Å; N114-M117 PolarHBondContact N-O 3.17Å; N114-M117 CarbonylContact O-C 3.52Å; N114-M117 PolarHBondContact O-N 2.92Å; N114-M117 VanDerWaalsContact O-O 3.05Å; M117-V154 WeakPolarHBondContact CA-O 3.43Å |
| 118 | A | 89.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 147 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | F88 L112 Y153 V154 L156 | F88-A118 HydrophobicContact CE2-CB 4.29Å; L112-A118 HydrophobicContact CD2-CB 4.1Å; A118-Y153 WeakPolarHBondContact O-CA 3.47Å; A118-V154 HydrophobicContact CB-CB 4.49Å; A118-V154 PolarHBondContact N-O 2.83Å; A118-V154 PolarHBondContact O-N 3.45Å; A118-L156 HydrophobicContact CB-CD1 4.33Å; A118-L156 HydrophobicContact CB-CD2 4.15Å; A118-L156 HydrophobicContact CB-CG 4.4Å |
| 119 | V | 91.2 | Very high | 87.6 | Confident | 17 Ų | 17 | 60.4 Ų | 60.4 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 116.1 | 179.5 | -178.8 | 0 | 0 | 0 | 0 | 107.3 | T111 K113 V151 L152 Y153 | T111-V119 PolarHBondContact N-O 3.36Å; T111-V119 PolarHBondContact O-N 3.04Å; T111-V119 PolarHBondContact OG1-O 3.37Å; K113-V119 HydrophobicContact CB-CG2 3.54Å; K113-V119 HydrophobicContact CD-CG2 4.42Å; V119-V151 HydrophobicContact CG1-CG1 3.28Å; V119-L152 WeakPolarHBondContact CA-O 3.35Å; V119-Y153 HydrophobicContact CG1-CE1 4.34Å; V119-Y153 HydrophobicContact CG2-CD1 3.75Å; V119-Y153 HydrophobicContact CG2-CE1 3.72Å |
| 120 | I | 91.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 112.3 | 176.9 | -56.3 | 165.2 | 0 | 0 | 0 | 107 | F88 L104 A108 I110 I136 V151 L152 V154 | F88-I120 HydrophobicContact CD1-CD1 4.14Å; F88-I120 HydrophobicContact CE1-CD1 4.44Å; L104-I120 HydrophobicContact CD1-CG2 4.5Å; L104-I120 HydrophobicContact CD2-CD1 4.24Å; A108-I120 HydrophobicContact CB-CG2 3.63Å; I110-I120 HydrophobicContact CG1-CG1 4.43Å; I110-I120 HydrophobicContact CG2-CG1 4.25Å; I120-I136 HydrophobicContact CD1-CD1 3.94Å; I120-V151 WeakPolarHBondContact O-CA 3.49Å; I120-L152 HydrophobicContact CB-CB 4.2Å; I120-L152 HydrophobicContact CD1-CD2 4.34Å; I120-L152 PolarHBondContact N-O 3.22Å; I120-L152 PolarHBondContact O-N 3.31Å; I120-V154 HydrophobicContact CD1-CG2 3.97Å |
| 121 | N | 92.3 | Very high | 87.5 | Confident | 57 Ų | 57 | 62 Ų | 62 | 31% | 0.305 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 118.4 | 177.7 | -176.9 | -2.7 | 0 | 0 | 0 | 109.7 | A108 Q109 A123 N150 | A108-N121 CarbonylContact C-O 3.59Å; A108-N121 VanDerWaalsContact CA-O 3.29Å; A108-N121 WeakPolarHBondContact CA-O 3.36Å; A108-N121 WeakPolarHBondContact CB-O 3.42Å; Q109-N121 HydrophobicContact CB-CB 4.48Å; Q109-N121 PolarHBondContact N-O 2.88Å; Q109-N121 PolarHBondContact O-N 3.08Å; N121-A123 VanDerWaalsContact OD1-CB 3.31Å; N121-A123 WeakPolarHBondContact OD1-CB 3.34Å; N121-A123 PolarHBondContact OD1-N 2.96Å; N121-N150 PolarHBondContact OD1-O 2.88Å |
| 122 | F | 90.3 | Very high | 87.6 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | trans | -117.8 | 29.3 | -178.2 | 51.9 | -95.4 | 0 | 0 | 0 | 111.8 | A108 S124 S125 V129 I132 Q147 N150 L152 | A108-F122 HydrophobicContact CB-CB 4.05Å; F122-S124 PolarHBondContact O-N 3.39Å; F122-S124 VanDerWaalsContact O-N 3.08Å; F122-S125 CarbonylContact O-C 3.57Å; F122-S125 VanDerWaalsContact O-C 3.28Å; F122-S125 PolarHBondContact O-N 3.44Å; F122-V129 HydrophobicContact CD2-CG2 3.56Å; F122-V129 HydrophobicContact CE1-CG2 4.47Å; F122-V129 HydrophobicContact CE2-CB 4.46Å; F122-V129 HydrophobicContact CE2-CG2 3.09Å; F122-V129 HydrophobicContact CG-CG2 4.43Å; F122-V129 HydrophobicContact CZ-CG2 3.62Å; F122-I132 HydrophobicContact CB-CD1 3.85Å; F122-I132 HydrophobicContact CD1-CD1 4.4Å; F122-I132 HydrophobicContact CG-CD1 4.23Å; F122-Q147 HydrophobicContact CZ-CG 4.5Å; F122-N150 WeakPolarHBondContact CD1-O 3.46Å; F122-N150 HydrophobicContact CD2-CB 4.37Å; F122-N150 VanDerWaalsContact CE1-C 3.48Å; F122-N150 WeakPolarHBondContact CE1-O 3.36Å; F122-N150 VanDerWaalsContact CE2-C 3.44Å; F122-N150 HydrophobicContact CE2-CB 4.08Å; F122-N150 WeakPolarHBondContact CZ-O 3.37Å; F122-N150 PolarHBondContact N-O 3.25Å; F122-N150 VanDerWaalsContact N-O 3.09Å; F122-L152 HydrophobicContact CE1-CB 4.02Å | ||
| 123 | A | 87.7 | Confident | 87.6 | Confident | 55 Ų | 55 | 57.7 Ų | 57.7 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -25.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N121 S125 N150 | N121-A123 VanDerWaalsContact OD1-CB 3.31Å; N121-A123 WeakPolarHBondContact OD1-CB 3.34Å; N121-A123 PolarHBondContact OD1-N 2.96Å; A123-S125 VanDerWaalsContact C-N 3.31Å; A123-N150 HydrophobicContact CB-CB 4.27Å |
| 124 | S | 85.7 | Confident | 87.7 | Confident | 97 Ų | 97 | 56.4 Ų | 56.4 | 68% | 0.678 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -26.4 | 173.8 | 50.2 | 0 | 0 | 0 | 0 | 113.7 | I107 F122 | I107-S124 PolarHBondContact O-OG 3.16Å; F122-S124 PolarHBondContact O-N 3.39Å; F122-S124 VanDerWaalsContact O-N 3.08Å |
| 125 | S | 84.8 | Confident | 87.9 | Confident | 29 Ų | 29 | 52.8 Ų | 52.8 | 20% | 0.203 | 29% | 0.287 | C | S | . | . | trans | -147.1 | 68.7 | -169.4 | 52.5 | 0 | 0 | 0 | 0 | 111.4 | I107 F122 A123 E127 A128 | I107-S125 WeakPolarHBondContact CG2-OG 3.35Å; I107-S125 PolarHBondContact O-OG 3.25Å; F122-S125 CarbonylContact O-C 3.57Å; F122-S125 VanDerWaalsContact O-C 3.28Å; F122-S125 PolarHBondContact O-N 3.44Å; A123-S125 VanDerWaalsContact C-N 3.31Å; S125-E127 PolarHBondContact O-N 2.96Å; S125-E127 VanDerWaalsContact O-N 3.11Å; S125-A128 WeakPolarHBondContact O-CB 3.48Å; S125-A128 PolarHBondContact O-N 3.04Å | ||
| 126 | P | 85.1 | Confident | 88.3 | Confident | 74 Ų | 74 | 48.2 Ų | 48.2 | 48% | 0.481 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -62.2 | -21.3 | -179.7 | 26.8 | -35.3 | 0 | 0 | 0 | 113.2 | A128 V129 | P126-A128 VanDerWaalsContact C-N 3.29Å; P126-A128 PolarHBondContact O-N 2.65Å; P126-V129 WeakPolarHBondContact O-CG2 3.39Å |
| 127 | E | 86 | Confident | 88.5 | Confident | 163 Ų | 163 | 46.2 Ų | 46.2 | 76% | 0.762 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -71.3 | -23.7 | 176.5 | -59.7 | -178.5 | -179.1 | 0 | 0 | 112.9 | P96 S125 V129 | P96-E127 HydrophobicContact CG-CB 4.49Å; S125-E127 PolarHBondContact O-N 2.96Å; S125-E127 VanDerWaalsContact O-N 3.11Å; E127-V129 VanDerWaalsContact C-N 3.31Å; E127-V129 PolarHBondContact O-N 3.17Å |
| 128 | A | 86.6 | Confident | 88.5 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -82.2 | -3.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P95 I107 S125 P126 K130 A131 I132 | P95-A128 HydrophobicContact CB-CB 4.18Å; I107-A128 HydrophobicContact CG2-CB 4.05Å; S125-A128 WeakPolarHBondContact O-CB 3.48Å; S125-A128 PolarHBondContact O-N 3.04Å; P126-A128 VanDerWaalsContact C-N 3.29Å; P126-A128 PolarHBondContact O-N 2.65Å; A128-K130 VanDerWaalsContact C-N 3.33Å; A128-K130 PolarHBondContact O-N 2.99Å; A128-A131 WeakPolarHBondContact O-CA 3.33Å; A128-A131 WeakPolarHBondContact O-CB 3.45Å; A128-A131 PolarHBondContact O-N 3.01Å; A128-I132 HydrophobicContact CB-CD1 4.32Å; A128-I132 WeakPolarHBondContact O-CG1 3.47Å; A128-I132 PolarHBondContact O-N 3.43Å |
| 129 | V | 89.1 | Confident | 88.2 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -48.6 | -51.6 | -176.6 | 172.5 | 0 | 0 | 0 | 0 | 112.6 | F122 P126 E127 A131 I132 T133 | F122-V129 HydrophobicContact CD2-CG2 3.56Å; F122-V129 HydrophobicContact CE1-CG2 4.47Å; F122-V129 HydrophobicContact CE2-CB 4.46Å; F122-V129 HydrophobicContact CE2-CG2 3.09Å; F122-V129 HydrophobicContact CG-CG2 4.43Å; F122-V129 HydrophobicContact CZ-CG2 3.62Å; P126-V129 WeakPolarHBondContact O-CG2 3.39Å; E127-V129 VanDerWaalsContact C-N 3.31Å; E127-V129 PolarHBondContact O-N 3.17Å; V129-A131 VanDerWaalsContact C-N 3.27Å; V129-A131 PolarHBondContact O-N 3.36Å; V129-I132 PolarHBondContact O-N 3.5Å; V129-T133 PolarHBondContact O-N 2.91Å; V129-T133 PolarHBondContact O-OG1 3.12Å |
| 130 | K | 88.5 | Confident | 87.7 | Confident | 164 Ų | 164 | 56.1 Ų | 56.1 | 71% | 0.713 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.6 | -33.7 | -177.5 | -66 | -177.2 | 179.9 | 178.8 | 0 | 112.1 | A128 T133 Q134 | A128-K130 VanDerWaalsContact C-N 3.33Å; A128-K130 PolarHBondContact O-N 2.99Å; K130-T133 PolarHBondContact O-OG1 3.5Å; K130-T133 VanDerWaalsContact O-OG1 3.05Å; K130-Q134 WeakPolarHBondContact O-CB 3.27Å; K130-Q134 WeakPolarHBondContact O-CG 3.43Å; K130-Q134 PolarHBondContact O-N 2.87Å |
| 131 | A | 89.5 | Confident | 86.9 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 10% | 0.099 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.5 | -38.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | V93 K94 A128 V129 A135 | V93-A131 HydrophobicContact CG1-CB 3.59Å; K94-A131 VanDerWaalsContact O-CB 3.28Å; K94-A131 WeakPolarHBondContact O-CB 3.47Å; A128-A131 WeakPolarHBondContact O-CA 3.33Å; A128-A131 WeakPolarHBondContact O-CB 3.45Å; A128-A131 PolarHBondContact O-N 3.01Å; V129-A131 VanDerWaalsContact C-N 3.27Å; V129-A131 PolarHBondContact O-N 3.36Å; A131-A135 WeakPolarHBondContact O-CB 3.33Å; A131-A135 PolarHBondContact O-N 2.79Å |
| 132 | I | 89.6 | Confident | 86.2 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.4 | -47.5 | 177.5 | -64.3 | 168.9 | 0 | 0 | 0 | 110.7 | V93 L104 I107 A108 F122 A128 V129 Q134 A135 I136 L152 | V93-I132 HydrophobicContact CG1-CG1 4.08Å; V93-I132 HydrophobicContact CG2-CG1 4.43Å; L104-I132 HydrophobicContact CD1-CB 4.31Å; L104-I132 HydrophobicContact CD1-CD1 4.09Å; L104-I132 HydrophobicContact CD1-CG1 3.74Å; L104-I132 HydrophobicContact CD1-CG2 3.76Å; I107-I132 HydrophobicContact CG2-CD1 4.47Å; A108-I132 HydrophobicContact CB-CD1 4.39Å; F122-I132 HydrophobicContact CB-CD1 3.85Å; F122-I132 HydrophobicContact CD1-CD1 4.4Å; F122-I132 HydrophobicContact CG-CD1 4.23Å; A128-I132 HydrophobicContact CB-CD1 4.32Å; A128-I132 WeakPolarHBondContact O-CG1 3.47Å; A128-I132 PolarHBondContact O-N 3.43Å; V129-I132 PolarHBondContact O-N 3.5Å; I132-Q134 VanDerWaalsContact C-N 3.34Å; I132-Q134 PolarHBondContact O-N 3.27Å; I132-A135 WeakPolarHBondContact O-CB 3.31Å; I132-A135 PolarHBondContact O-N 2.85Å; I132-A135 VanDerWaalsContact O-N 3.15Å; I132-I136 HydrophobicContact CG2-CD1 4.06Å; I132-I136 WeakPolarHBondContact O-CG1 3.48Å; I132-I136 PolarHBondContact O-N 3.03Å; I132-L152 HydrophobicContact CG2-CD2 4.4Å |
| 133 | T | 88.2 | Confident | 85.8 | Confident | 18 Ų | 18 | 64.4 Ų | 64.4 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61 | -44.3 | 178.1 | 55.6 | 0 | 0 | 0 | 0 | 111.2 | V129 K130 A135 I136 D137 Y145 L152 | V129-T133 PolarHBondContact O-N 2.91Å; V129-T133 PolarHBondContact O-OG1 3.12Å; K130-T133 PolarHBondContact O-OG1 3.5Å; K130-T133 VanDerWaalsContact O-OG1 3.05Å; T133-A135 VanDerWaalsContact C-N 3.31Å; T133-A135 PolarHBondContact O-N 3.26Å; T133-I136 PolarHBondContact O-N 3.39Å; T133-D137 PolarHBondContact O-N 2.94Å; T133-Y145 HydrophobicContact CG2-CD2 4.19Å; T133-Y145 HydrophobicContact CG2-CE1 4.46Å; T133-Y145 HydrophobicContact CG2-CE2 3.66Å; T133-L152 HydrophobicContact CG2-CD2 4.47Å |
| 134 | Q | 88.4 | Confident | 85.6 | Confident | 95 Ų | 95 | 64.5 Ų | 64.5 | 44% | 0.444 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.6 | -35.4 | 175.2 | -74.2 | 177.3 | 10.1 | 0 | 0 | 113.1 | K130 I132 D137 R138 | K130-Q134 WeakPolarHBondContact O-CB 3.27Å; K130-Q134 WeakPolarHBondContact O-CG 3.43Å; K130-Q134 PolarHBondContact O-N 2.87Å; I132-Q134 VanDerWaalsContact C-N 3.34Å; I132-Q134 PolarHBondContact O-N 3.27Å; Q134-D137 PolarHBondContact O-N 3.19Å; Q134-R138 WeakPolarHBondContact O-CB 3.25Å; Q134-R138 VanDerWaalsContact O-CG 3.22Å; Q134-R138 WeakPolarHBondContact O-CG 3.38Å; Q134-R138 PolarHBondContact O-N 3.11Å |
| 135 | A | 89.4 | Confident | 85.8 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 6% | 0.058 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.8 | -38.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V93 A131 I132 T133 R138 S139 | V93-A135 HydrophobicContact CG2-CB 3.79Å; A131-A135 WeakPolarHBondContact O-CB 3.33Å; A131-A135 PolarHBondContact O-N 2.79Å; I132-A135 WeakPolarHBondContact O-CB 3.31Å; I132-A135 PolarHBondContact O-N 2.85Å; I132-A135 VanDerWaalsContact O-N 3.15Å; T133-A135 VanDerWaalsContact C-N 3.31Å; T133-A135 PolarHBondContact O-N 3.26Å; A135-R138 PolarHBondContact O-N 3.36Å; A135-S139 WeakPolarHBondContact O-CB 3.33Å; A135-S139 PolarHBondContact O-N 2.95Å |
| 136 | I | 88.6 | Confident | 86 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 174.3 | -65.8 | 165.8 | 0 | 0 | 0 | 110.3 | L91 I120 I132 T133 R138 S139 M141 V143 L152 V154 | L91-I136 HydrophobicContact CD1-CG1 4.27Å; I120-I136 HydrophobicContact CD1-CD1 3.94Å; I132-I136 HydrophobicContact CG2-CD1 4.06Å; I132-I136 WeakPolarHBondContact O-CG1 3.48Å; I132-I136 PolarHBondContact O-N 3.03Å; T133-I136 PolarHBondContact O-N 3.39Å; I136-R138 PolarHBondContact O-N 3.03Å; I136-S139 WeakPolarHBondContact O-CB 3.48Å; I136-S139 PolarHBondContact O-N 3.44Å; I136-S139 PolarHBondContact O-OG 3.38Å; I136-M141 HydrophobicContact CG2-CE 4.45Å; I136-V143 HydrophobicContact CG2-CG2 3.98Å; I136-L152 HydrophobicContact CD1-CD2 3.38Å; I136-V154 HydrophobicContact CD1-CG2 4.27Å |
| 137 | D | 88.1 | Confident | 86.3 | Confident | 91 Ų | 91 | 70 Ų | 70 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.2 | -63.2 | -27.8 | 0 | 0 | 0 | 111.6 | T133 Q134 S139 G140 | T133-D137 PolarHBondContact O-N 2.94Å; Q134-D137 PolarHBondContact O-N 3.19Å; D137-S139 VanDerWaalsContact C-N 3.26Å; D137-S139 PolarHBondContact O-N 2.9Å; D137-G140 PolarHBondContact O-N 3.2Å |
| 138 | R | 87.5 | Confident | 86.4 | Confident | 179 Ų | 179 | 67.3 Ų | 67.3 | 68% | 0.675 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.2 | -24.4 | 176.8 | -73.3 | 175.6 | -170.8 | 161.6 | 8.6 | 113.7 | Q134 A135 I136 G140 | Q134-R138 WeakPolarHBondContact O-CB 3.25Å; Q134-R138 VanDerWaalsContact O-CG 3.22Å; Q134-R138 WeakPolarHBondContact O-CG 3.38Å; Q134-R138 PolarHBondContact O-N 3.11Å; A135-R138 PolarHBondContact O-N 3.36Å; I136-R138 PolarHBondContact O-N 3.03Å; R138-G140 PolarHBondContact O-N 3.27Å; R138-G140 VanDerWaalsContact O-N 3.13Å |
| 139 | S | 83.6 | Confident | 86.5 | Confident | 39 Ų | 39 | 74 Ų | 74 | 27% | 0.273 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -13.6 | 179.2 | 75.8 | 0 | 0 | 0 | 0 | 113.5 | A135 I136 D137 M141 | A135-S139 WeakPolarHBondContact O-CB 3.33Å; A135-S139 PolarHBondContact O-N 2.95Å; I136-S139 WeakPolarHBondContact O-CB 3.48Å; I136-S139 PolarHBondContact O-N 3.44Å; I136-S139 PolarHBondContact O-OG 3.38Å; D137-S139 VanDerWaalsContact C-N 3.26Å; D137-S139 PolarHBondContact O-N 2.9Å; S139-M141 VanDerWaalsContact C-N 3.27Å; S139-M141 PolarHBondContact O-N 3.48Å; S139-M141 WeakPolarHBondContact OG-CG 3.42Å |
| 140 | G | 80.3 | Confident | 86.5 | Confident | 67 Ų | 67 | 76.3 Ų | 76.3 | 69% | 0.691 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 16 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D137 R138 | D137-G140 PolarHBondContact O-N 3.2Å; R138-G140 PolarHBondContact O-N 3.27Å; R138-G140 VanDerWaalsContact O-N 3.13Å |
| 141 | M | 75.6 | Confident | 86.7 | Confident | 52 Ų | 52 | 70 Ų | 70 | 26% | 0.256 | 38% | 0.378 | S | S | . | . | trans | -80.4 | -15 | 178.7 | -67.3 | -168.5 | -49.7 | 0 | 0 | 114 | A87 F88 I136 S139 V143 | A87-M141 HydrophobicContact CB-SD 4.5Å; F88-M141 HydrophobicContact CD1-CE 3.89Å; F88-M141 HydrophobicContact CE1-CE 3.22Å; F88-M141 HydrophobicContact CE1-SD 4.47Å; F88-M141 HydrophobicContact CE2-CE 4.31Å; F88-M141 HydrophobicContact CZ-CE 3.46Å; F88-M141 VanDerWaalsContact CZ-CE 3.46Å; F88-M141 HydrophobicContact CZ-SD 4.27Å; I136-M141 HydrophobicContact CG2-CE 4.45Å; S139-M141 VanDerWaalsContact C-N 3.27Å; S139-M141 PolarHBondContact O-N 3.48Å; S139-M141 WeakPolarHBondContact OG-CG 3.42Å; M141-V143 HydrophobicContact CB-CG1 4.34Å; M141-V143 HydrophobicContact CB-CG2 3.99Å; M141-V143 HydrophobicContact CE-CG2 4.16Å; M141-V143 WeakPolarHBondContact O-CG1 3.34Å; M141-V143 PolarHBondContact O-N 2.89Å; M141-V143 VanDerWaalsContact O-N 3.12Å | ||
| 142 | D | 77.6 | Confident | 86.8 | Confident | 163 Ų | 163 | 69.5 Ų | 69.5 | 87% | 0.872 | 37% | 0.374 | S | S | * | . | trans | 43.3 | 46.1 | 179.6 | -163.9 | 31.3 | 0 | 0 | 0 | 113.3 | ||||
| 143 | V | 81.2 | Confident | 86.9 | Confident | 18 Ų | 18 | 71.6 Ų | 71.6 | 11% | 0.109 | 38% | 0.382 | C | S | . | . | trans | -103.9 | 121.8 | -179.9 | -73.7 | 0 | 0 | 0 | 0 | 109.4 | I136 M141 Y145 V154 P155 | I136-V143 HydrophobicContact CG2-CG2 3.98Å; M141-V143 HydrophobicContact CB-CG1 4.34Å; M141-V143 HydrophobicContact CB-CG2 3.99Å; M141-V143 HydrophobicContact CE-CG2 4.16Å; M141-V143 WeakPolarHBondContact O-CG1 3.34Å; M141-V143 PolarHBondContact O-N 2.89Å; M141-V143 VanDerWaalsContact O-N 3.12Å; V143-Y145 PolarHBondContact O-N 3.02Å; V143-V154 HydrophobicContact CB-CG1 3.98Å; V143-V154 HydrophobicContact CG2-CG1 3.45Å; V143-V154 VanDerWaalsContact CG2-CG1 3.45Å; V143-P155 WeakPolarHBondContact CG1-O 3.4Å | ||
| 144 | G | 84.3 | Confident | 87 | Confident | 58 Ų | 58 | 70.7 Ų | 70.7 | 60% | 0.598 | 38% | 0.376 | S | S | * | . | trans | -66.4 | 130.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P155 | G144-P155 WeakPolarHBondContact O-CD 3.46Å; G144-P155 WeakPolarHBondContact O-CG 2.98Å | ||
| 145 | Y | 88.8 | Confident | 87 | Confident | 84 Ų | 84 | 68.9 Ų | 68.9 | 33% | 0.329 | 37% | 0.373 | S | S | . | . | trans | -109.2 | 148.8 | -179.7 | 52.6 | -100.1 | 0 | 0 | 0 | 112 | T133 V143 L152 Y153 | T133-Y145 HydrophobicContact CG2-CD2 4.19Å; T133-Y145 HydrophobicContact CG2-CE1 4.46Å; T133-Y145 HydrophobicContact CG2-CE2 3.66Å; V143-Y145 PolarHBondContact O-N 3.02Å; Y145-L152 HydrophobicContact CD2-CD1 3.67Å; Y145-L152 HydrophobicContact CG-CD1 4Å; Y145-L152 HydrophobicContact CG-CD2 4.41Å; Y145-Y153 WeakPolarHBondContact CA-O 3.5Å | ||
| 146 | Q | 90.4 | Very high | 86.6 | Confident | 129 Ų | 129 | 69.4 Ų | 69.4 | 60% | 0.603 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 115.5 | 175.1 | -66.8 | -177.7 | -21.7 | 0 | 0 | 109.7 | Y153 | Q146-Y153 PolarHBondContact N-O 3.26Å; Q146-Y153 PolarHBondContact O-N 2.96Å |
| 147 | Q | 90.1 | Very high | 86.2 | Confident | 102 Ų | 102 | 73.6 Ų | 73.6 | 48% | 0.477 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 130.7 | 176.8 | -174.4 | -177.2 | -13.5 | 0 | 0 | 110.5 | F122 N149 L152 | F122-Q147 HydrophobicContact CZ-CG 4.5Å; Q147-N149 PolarHBondContact NE2-O 3.15Å; Q147-L152 HydrophobicContact CB-CD1 3.98Å |
| 148 | Q | 89.6 | Confident | 85.9 | Confident | 106 Ų | 106 | 77.1 Ų | 77.1 | 50% | 0.495 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 112.4 | 169 | -61.7 | 179.6 | 4.5 | 0 | 0 | 108.8 | N150 V151 Y153 | Q148-N150 PolarHBondContact O-N 3.38Å; Q148-N150 VanDerWaalsContact O-N 3.11Å; Q148-V151 PolarHBondContact N-O 3Å; Q148-V151 PolarHBondContact O-N 3.15Å; Q148-Y153 HydrophobicContact CB-CE2 4.04Å; Q148-Y153 HydrophobicContact CG-CD2 4.23Å; Q148-Y153 HydrophobicContact CG-CE2 3.98Å |
| 149 | N | 87.5 | Confident | 85.6 | Confident | 145 Ų | 145 | 70.7 Ų | 70.7 | 78% | 0.775 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | -116.2 | -176 | -56.7 | -16 | 0 | 0 | 0 | 111.3 | Q147 | Q147-N149 PolarHBondContact NE2-O 3.15Š|
| 150 | N | 89.8 | Confident | 85.7 | Confident | 69 Ų | 69 | 71.8 Ų | 71.8 | 37% | 0.369 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 17.8 | -178.5 | -63.1 | -9.3 | 0 | 0 | 0 | 113.8 | N121 F122 A123 Q148 | N121-N150 PolarHBondContact OD1-O 2.88Å; F122-N150 WeakPolarHBondContact CD1-O 3.46Å; F122-N150 HydrophobicContact CD2-CB 4.37Å; F122-N150 VanDerWaalsContact CE1-C 3.48Å; F122-N150 WeakPolarHBondContact CE1-O 3.36Å; F122-N150 VanDerWaalsContact CE2-C 3.44Å; F122-N150 HydrophobicContact CE2-CB 4.08Å; F122-N150 WeakPolarHBondContact CZ-O 3.37Å; F122-N150 PolarHBondContact N-O 3.25Å; F122-N150 VanDerWaalsContact N-O 3.09Å; A123-N150 HydrophobicContact CB-CB 4.27Å; Q148-N150 PolarHBondContact O-N 3.38Å; Q148-N150 VanDerWaalsContact O-N 3.11Å |
| 151 | V | 92.6 | Very high | 86.1 | Confident | 32 Ų | 32 | 77 Ų | 77 | 19% | 0.194 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 132.4 | -174.5 | -176.7 | 0 | 0 | 0 | 0 | 110.4 | V119 I120 Q148 Y153 | V119-V151 HydrophobicContact CG1-CG1 3.28Å; I120-V151 WeakPolarHBondContact O-CA 3.49Å; Q148-V151 PolarHBondContact N-O 3Å; Q148-V151 PolarHBondContact O-N 3.15Å; V151-Y153 HydrophobicContact CB-CE2 4.48Å; V151-Y153 HydrophobicContact CG1-CD2 4.47Å; V151-Y153 HydrophobicContact CG1-CE1 4.4Å; V151-Y153 HydrophobicContact CG1-CE2 3.98Å |
| 152 | L | 92.2 | Very high | 86.8 | Confident | 2 Ų | 2 | 81.2 Ų | 81.2 | 1% | 0.01 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 123.8 | 174 | -166.5 | 66.2 | 0 | 0 | 0 | 110 | V119 I120 F122 I132 T133 I136 Y145 Q147 V154 | V119-L152 WeakPolarHBondContact CA-O 3.35Å; I120-L152 HydrophobicContact CB-CB 4.2Å; I120-L152 HydrophobicContact CD1-CD2 4.34Å; I120-L152 PolarHBondContact N-O 3.22Å; I120-L152 PolarHBondContact O-N 3.31Å; F122-L152 HydrophobicContact CE1-CB 4.02Å; I132-L152 HydrophobicContact CG2-CD2 4.4Å; T133-L152 HydrophobicContact CG2-CD2 4.47Å; I136-L152 HydrophobicContact CD1-CD2 3.38Å; Y145-L152 HydrophobicContact CD2-CD1 3.67Å; Y145-L152 HydrophobicContact CG-CD1 4Å; Y145-L152 HydrophobicContact CG-CD2 4.41Å; Q147-L152 HydrophobicContact CB-CD1 3.98Å; L152-V154 HydrophobicContact CD2-CG2 4.09Å; L152-V154 HydrophobicContact CG-CG2 4.07Å |
| 153 | Y | 91.9 | Very high | 87.3 | Confident | 45 Ų | 45 | 79.6 Ų | 79.6 | 18% | 0.176 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 121.2 | 172.7 | -63.7 | -83.6 | 0 | 0 | 0 | 109.6 | K113 A118 V119 Y145 Q146 Q148 V151 | K113-Y153 HydrophobicContact CD-CE1 4.14Å; A118-Y153 WeakPolarHBondContact O-CA 3.47Å; V119-Y153 HydrophobicContact CG1-CE1 4.34Å; V119-Y153 HydrophobicContact CG2-CD1 3.75Å; V119-Y153 HydrophobicContact CG2-CE1 3.72Å; Y145-Y153 WeakPolarHBondContact CA-O 3.5Å; Q146-Y153 PolarHBondContact N-O 3.26Å; Q146-Y153 PolarHBondContact O-N 2.96Å; Q148-Y153 HydrophobicContact CB-CE2 4.04Å; Q148-Y153 HydrophobicContact CG-CD2 4.23Å; Q148-Y153 HydrophobicContact CG-CE2 3.98Å; V151-Y153 HydrophobicContact CB-CE2 4.48Å; V151-Y153 HydrophobicContact CG1-CD2 4.47Å; V151-Y153 HydrophobicContact CG1-CE1 4.4Å; V151-Y153 HydrophobicContact CG1-CE2 3.98Å |
| 154 | V | 89.8 | Confident | 87.7 | Confident | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 114.6 | 179.5 | -173.4 | 0 | 0 | 0 | 0 | 109 | F88 M117 A118 I120 I136 V143 L152 | F88-V154 HydrophobicContact CE1-CB 4.43Å; F88-V154 HydrophobicContact CE1-CG1 4Å; F88-V154 HydrophobicContact CE1-CG2 4.5Å; F88-V154 HydrophobicContact CZ-CB 4.32Å; F88-V154 HydrophobicContact CZ-CG1 3.8Å; M117-V154 WeakPolarHBondContact CA-O 3.43Å; A118-V154 HydrophobicContact CB-CB 4.49Å; A118-V154 PolarHBondContact N-O 2.83Å; A118-V154 PolarHBondContact O-N 3.45Å; I120-V154 HydrophobicContact CD1-CG2 3.97Å; I136-V154 HydrophobicContact CD1-CG2 4.27Å; V143-V154 HydrophobicContact CB-CG1 3.98Å; V143-V154 HydrophobicContact CG2-CG1 3.45Å; V143-V154 VanDerWaalsContact CG2-CG1 3.45Å; L152-V154 HydrophobicContact CD2-CG2 4.09Å; L152-V154 HydrophobicContact CG-CG2 4.07Å |
| 155 | P | 87.7 | Confident | 88 | Confident | 57 Ų | 57 | 81 Ų | 81 | 37% | 0.37 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 134.8 | 173.1 | 31.5 | -31.2 | 0 | 0 | 0 | 109.5 | R116 V143 G144 | R116-P155 CarbonylContact O-C 3.59Å; R116-P155 WeakPolarHBondContact O-CA 3.47Å; V143-P155 WeakPolarHBondContact CG1-O 3.4Å; G144-P155 WeakPolarHBondContact O-CD 3.46Å; G144-P155 WeakPolarHBondContact O-CG 2.98Å |
| 156 | L | 82.1 | Confident | 88.2 | Confident | 17 Ų | 17 | 80.8 Ų | 80.8 | 9% | 0.089 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -98.8 | 131.4 | -179.3 | -56.1 | -179.7 | 0 | 0 | 0 | 109.9 | V84 F88 L112 R116 A118 | V84-L156 HydrophobicContact CB-CD1 3.89Å; V84-L156 HydrophobicContact CB-CD2 4.41Å; V84-L156 HydrophobicContact CG1-CD1 4.33Å; V84-L156 HydrophobicContact CG1-CD2 3.94Å; V84-L156 HydrophobicContact CG2-CD1 4.04Å; F88-L156 HydrophobicContact CE2-CD2 3.43Å; F88-L156 VanDerWaalsContact CE2-CD2 3.43Å; F88-L156 HydrophobicContact CZ-CD2 3.61Å; L112-L156 HydrophobicContact CD2-CD1 3.91Å; R116-L156 PolarHBondContact O-N 2.61Å; A118-L156 HydrophobicContact CB-CD1 4.33Å; A118-L156 HydrophobicContact CB-CD2 4.15Å; A118-L156 HydrophobicContact CB-CG 4.4Å |
| 157 | P | 80 | Confident | 88.2 | Confident | 91 Ų | 91 | 75.8 Ų | 75.8 | 59% | 0.591 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 146.1 | 175.4 | 27.4 | -33.5 | 0 | 0 | 0 | 109.8 | ||
| 158 | R | 80.6 | Confident | 88.4 | Confident | 164 Ų | 164 | 71.5 Ų | 71.5 | 62% | 0.619 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 135.1 | 171.9 | -63.8 | -168 | -170.4 | -152.9 | 20.5 | 108.8 | S160 | R158-S160 PolarHBondContact O-N 3.02Š|
| 159 | P | 81.3 | Confident | 88.6 | Confident | 45 Ų | 45 | 74.1 Ų | 74.1 | 29% | 0.292 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 132.7 | 177.9 | 22 | -28.1 | 0 | 0 | 0 | 109.9 | M81 K163 | M81-P159 HydrophobicContact CE-CB 3.87Å; M81-P159 HydrophobicContact CE-CG 3.18Å; P159-K163 HydrophobicContact CB-CB 4.45Å; P159-K163 HydrophobicContact CB-CG 4.45Å |
| 160 | S | 86.1 | Confident | 88.9 | Confident | 61 Ų | 61 | 69.7 Ų | 69.7 | 43% | 0.427 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 159.3 | 176 | 67.7 | 0 | 0 | 0 | 0 | 111.1 | R158 E162 K163 R164 | R158-S160 PolarHBondContact O-N 3.02Å; S160-E162 VanDerWaalsContact C-N 3.25Å; S160-E162 PolarHBondContact O-N 3.27Å; S160-K163 PolarHBondContact O-N 2.9Å; S160-K163 VanDerWaalsContact O-N 3.13Å; S160-K163 PolarHBondContact OG-N 3.43Å; S160-R164 PolarHBondContact O-N 3.36Å |
| 161 | R | 89 | Confident | 89.1 | Confident | 176 Ų | 176 | 66.4 Ų | 66.4 | 66% | 0.664 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -55.1 | -43.6 | 173.9 | 179.6 | 177.8 | 169.3 | 175.3 | -1.3 | 111.5 | K163 R164 E165 | R161-K163 VanDerWaalsContact C-N 3.3Å; R161-K163 PolarHBondContact O-N 3.35Å; R161-R164 WeakPolarHBondContact O-CB 3.45Å; R161-R164 PolarHBondContact O-N 3.47Å; R161-R164 VanDerWaalsContact O-N 3.09Å; R161-E165 HydrophobicContact CG-CG 4.43Å; R161-E165 IonicContact CZ-OE1 2.83Å; R161-E165 IonicContact NE-OE1 3.9Å; R161-E165 PolarHBondContact NE-OE1 3.35Å; R161-E165 IonicContact NH2-OE1 3.98Å; R161-E165 PolarHBondContact NH2-OE1 2.93Å; R161-E165 WeakPolarHBondContact O-CG 3.47Å; R161-E165 PolarHBondContact O-N 3.35Å |
| 162 | E | 90.4 | Very high | 89.3 | Confident | 141 Ų | 141 | 69.7 Ų | 69.7 | 66% | 0.659 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -57.2 | -42 | 177 | -61.9 | 178.2 | 176.8 | 0 | 0 | 112.2 | S160 R164 E165 N166 | S160-E162 VanDerWaalsContact C-N 3.25Å; S160-E162 PolarHBondContact O-N 3.27Å; E162-R164 VanDerWaalsContact C-N 3.34Å; E162-R164 PolarHBondContact O-N 3.35Å; E162-E165 PolarHBondContact O-N 3.29Å; E162-N166 WeakPolarHBondContact O-CB 3.11Å; E162-N166 PolarHBondContact O-N 2.88Å; E162-N166 PolarHBondContact O-ND2 3.1Å; E162-N166 PolarHBondContact O-OD1 3.18Å |
| 163 | K | 88 | Confident | 89.5 | Confident | 129 Ų | 129 | 74.3 Ų | 74.3 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.3 | -39.2 | 177 | -174 | 137.4 | -178.4 | 173.3 | 0 | 111.7 | P159 S160 R161 N166 M167 | P159-K163 HydrophobicContact CB-CB 4.45Å; P159-K163 HydrophobicContact CB-CG 4.45Å; S160-K163 PolarHBondContact O-N 2.9Å; S160-K163 VanDerWaalsContact O-N 3.13Å; S160-K163 PolarHBondContact OG-N 3.43Å; R161-K163 VanDerWaalsContact C-N 3.3Å; R161-K163 PolarHBondContact O-N 3.35Å; K163-N166 WeakPolarHBondContact O-CB 3.5Å; K163-N166 PolarHBondContact O-N 3.18Å; K163-M167 HydrophobicContact CG-CE 4.13Å; K163-M167 WeakPolarHBondContact O-CE 3.48Å; K163-M167 PolarHBondContact O-N 3.42Å |
| 164 | R | 88.7 | Confident | 89.7 | Confident | 35 Ų | 35 | 72.4 Ų | 72.4 | 13% | 0.132 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 175.7 | -62.1 | -172.8 | -171.2 | 131.6 | -18 | 112.1 | M81 S160 R161 E162 N166 M167 A168 L234 Q237 | M81-R164 HydrophobicContact CE-CG 3.96Å; S160-R164 PolarHBondContact O-N 3.36Å; R161-R164 WeakPolarHBondContact O-CB 3.45Å; R161-R164 PolarHBondContact O-N 3.47Å; R161-R164 VanDerWaalsContact O-N 3.09Å; E162-R164 VanDerWaalsContact C-N 3.34Å; E162-R164 PolarHBondContact O-N 3.35Å; R164-N166 VanDerWaalsContact C-N 3.29Å; R164-N166 PolarHBondContact O-N 2.9Å; R164-M167 HydrophobicContact CG-CE 4.26Å; R164-M167 PolarHBondContact O-N 3.32Å; R164-M167 VanDerWaalsContact O-N 3.16Å; R164-A168 PolarHBondContact O-N 3.45Å; R164-L234 VanDerWaalsContact CD-O 3.31Å; R164-L234 WeakPolarHBondContact CD-O 3.04Å; R164-Q237 PolarHBondContact NH2-O 3.46Å |
| 165 | E | 91.7 | Very high | 90 | Very high | 71 Ų | 71 | 72.4 Ų | 72.4 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 175 | -70.3 | 176.2 | -179.8 | 0 | 0 | 111.4 | R161 E162 A168 R169 L235 | R161-E165 HydrophobicContact CG-CG 4.43Å; R161-E165 IonicContact CZ-OE1 2.83Å; R161-E165 IonicContact NE-OE1 3.9Å; R161-E165 PolarHBondContact NE-OE1 3.35Å; R161-E165 IonicContact NH2-OE1 3.98Å; R161-E165 PolarHBondContact NH2-OE1 2.93Å; R161-E165 WeakPolarHBondContact O-CG 3.47Å; R161-E165 PolarHBondContact O-N 3.35Å; E162-E165 PolarHBondContact O-N 3.29Å; E165-A168 PolarHBondContact O-N 3.44Å; E165-R169 WeakPolarHBondContact O-CG 3.15Å; E165-R169 PolarHBondContact O-N 2.95Å; E165-L235 HydrophobicContact CG-CD2 4.34Å |
| 166 | N | 92.3 | Very high | 90.4 | Very high | 80 Ų | 80 | 73 Ų | 73 | 43% | 0.428 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 172.5 | -67.9 | -11.2 | 0 | 0 | 0 | 112.5 | E162 K163 R164 R169 N170 | E162-N166 WeakPolarHBondContact O-CB 3.11Å; E162-N166 PolarHBondContact O-N 2.88Å; E162-N166 PolarHBondContact O-ND2 3.1Å; E162-N166 PolarHBondContact O-OD1 3.18Å; K163-N166 WeakPolarHBondContact O-CB 3.5Å; K163-N166 PolarHBondContact O-N 3.18Å; R164-N166 VanDerWaalsContact C-N 3.29Å; R164-N166 PolarHBondContact O-N 2.9Å; N166-R169 PolarHBondContact O-N 3.1Å; N166-R169 PolarHBondContact OD1-NH2 2.96Å; N166-N170 PolarHBondContact O-N 3.35Å |
| 167 | M | 91.6 | Very high | 91.1 | Very high | 24 Ų | 24 | 76.4 Ų | 76.4 | 12% | 0.118 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.2 | -41 | 175.4 | -73.1 | -178.2 | -73.6 | 0 | 0 | 111.9 | L79 M81 K163 R164 R169 N170 A171 L234 | L79-M167 HydrophobicContact CD2-CB 4.19Å; L79-M167 WeakPolarHBondContact CD2-O 3.36Å; M81-M167 HydrophobicContact CE-CE 3.54Å; M81-M167 HydrophobicContact SD-CE 3.2Å; M81-M167 WeakPolarHBondContact SD-CE 3.28Å; M81-M167 HydrophobicContact SD-SD 3.85Å; K163-M167 HydrophobicContact CG-CE 4.13Å; K163-M167 WeakPolarHBondContact O-CE 3.48Å; K163-M167 PolarHBondContact O-N 3.42Å; R164-M167 HydrophobicContact CG-CE 4.26Å; R164-M167 PolarHBondContact O-N 3.32Å; R164-M167 VanDerWaalsContact O-N 3.16Å; M167-R169 VanDerWaalsContact C-N 3.32Å; M167-R169 PolarHBondContact O-N 2.98Å; M167-N170 PolarHBondContact O-N 3.21Å; M167-A171 PolarHBondContact O-N 3.36Å; M167-L234 HydrophobicContact CB-CD1 3.88Å; M167-L234 HydrophobicContact CB-CD2 4.39Å; M167-L234 HydrophobicContact SD-CD2 4.48Å |
| 168 | A | 93.2 | Very high | 91.8 | Very high | 11 Ų | 11 | 72.1 Ų | 72.1 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63 | -38.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R164 E165 A171 K172 Q231 | R164-A168 PolarHBondContact O-N 3.45Å; E165-A168 PolarHBondContact O-N 3.44Å; A168-A171 WeakPolarHBondContact O-CB 3.4Å; A168-A171 PolarHBondContact O-N 3.28Å; A168-K172 PolarHBondContact O-N 2.71Å; A168-Q231 HydrophobicContact CB-CG 4.26Å; A168-Q231 PolarHBondContact O-NE2 3.44Å; A168-Q231 VanDerWaalsContact O-NE2 3.1Å |
| 169 | R | 93.6 | Very high | 92.6 | Very high | 162 Ų | 162 | 65.2 Ų | 65.2 | 61% | 0.611 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.6 | -43.9 | 171.3 | -74 | -169.5 | -76.6 | 178.4 | -12.7 | 111.8 | E165 N166 M167 A171 K172 L173 | E165-R169 WeakPolarHBondContact O-CG 3.15Å; E165-R169 PolarHBondContact O-N 2.95Å; N166-R169 PolarHBondContact O-N 3.1Å; N166-R169 PolarHBondContact OD1-NH2 2.96Å; M167-R169 VanDerWaalsContact C-N 3.32Å; M167-R169 PolarHBondContact O-N 2.98Å; R169-A171 VanDerWaalsContact C-N 3.32Å; R169-A171 PolarHBondContact O-N 3.5Å; R169-K172 WeakPolarHBondContact O-CB 3.31Å; R169-K172 PolarHBondContact O-N 3.21Å; R169-L173 PolarHBondContact O-N 2.93Å |
| 170 | N | 94.2 | Very high | 93.3 | Very high | 52 Ų | 52 | 67.4 Ų | 67.4 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 177.2 | -169.4 | 36 | 0 | 0 | 0 | 112.1 | Q78 L79 N166 M167 K172 L173 L174 | Q78-N170 PolarHBondContact OE1-ND2 3.21Å; L79-N170 HydrophobicContact CD2-CB 4.03Å; N166-N170 PolarHBondContact O-N 3.35Å; M167-N170 PolarHBondContact O-N 3.21Å; N170-K172 VanDerWaalsContact C-N 3.27Å; N170-K172 PolarHBondContact O-N 3.28Å; N170-L173 WeakPolarHBondContact O-CB 3.48Å; N170-L173 PolarHBondContact O-N 3.09Å; N170-L173 VanDerWaalsContact O-N 3.1Å; N170-L174 WeakPolarHBondContact O-CG 3.44Å; N170-L174 PolarHBondContact O-N 3.44Å |
| 171 | A | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.5 | -43.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y75 L79 M167 A168 R169 L174 C175 Q231 | Y75-A171 HydrophobicContact CE1-CB 4.35Å; Y75-A171 PolarHBondContact OH-O 3.12Å; L79-A171 HydrophobicContact CD1-CB 3.48Å; L79-A171 VanDerWaalsContact CD1-CB 3.48Å; M167-A171 PolarHBondContact O-N 3.36Å; A168-A171 WeakPolarHBondContact O-CB 3.4Å; A168-A171 PolarHBondContact O-N 3.28Å; R169-A171 VanDerWaalsContact C-N 3.32Å; R169-A171 PolarHBondContact O-N 3.5Å; A171-L174 PolarHBondContact O-N 3.28Å; A171-C175 WeakPolarHBondContact O-CB 3.28Å; A171-C175 PolarHBondContact O-N 3.03Å; A171-Q231 HydrophobicContact CB-CG 4.3Å |
| 172 | K | 95.5 | Very high | 94.2 | Very high | 100 Ų | 100 | 60.3 Ų | 60.3 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 176.2 | -170.1 | 176.8 | -177.4 | 175.7 | 0 | 111.9 | A168 R169 N170 C175 N176 M227 | A168-K172 PolarHBondContact O-N 2.71Å; R169-K172 WeakPolarHBondContact O-CB 3.31Å; R169-K172 PolarHBondContact O-N 3.21Å; N170-K172 VanDerWaalsContact C-N 3.27Å; N170-K172 PolarHBondContact O-N 3.28Å; K172-C175 PolarHBondContact O-N 3.01Å; K172-N176 VanDerWaalsContact O-CG 3.26Å; K172-N176 PolarHBondContact O-N 2.89Å; K172-N176 PolarHBondContact O-ND2 3.01Å; K172-N176 PolarHBondContact O-OD1 3.31Å; K172-M227 HydrophobicContact CB-SD 4.36Å; K172-M227 HydrophobicContact CG-SD 4.38Å |
| 173 | L | 96.2 | Very high | 94.4 | Very high | 100 Ų | 100 | 58.3 Ų | 58.3 | 52% | 0.524 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 177.4 | -67.9 | 174.7 | 0 | 0 | 0 | 111.9 | R169 N170 C175 N176 Q177 | R169-L173 PolarHBondContact O-N 2.93Å; N170-L173 WeakPolarHBondContact O-CB 3.48Å; N170-L173 PolarHBondContact O-N 3.09Å; N170-L173 VanDerWaalsContact O-N 3.1Å; L173-C175 VanDerWaalsContact C-N 3.33Å; L173-C175 PolarHBondContact O-N 2.93Å; L173-N176 PolarHBondContact O-N 3.16Å; L173-Q177 WeakPolarHBondContact O-CG 3.31Å; L173-Q177 PolarHBondContact O-N 2.95Å |
| 174 | L | 95.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 176.4 | -71.1 | 175.1 | 0 | 0 | 0 | 112.3 | L71 Q74 Y75 L79 N170 A171 Q177 C178 | L71-L174 HydrophobicContact CD1-CB 4.07Å; Q74-L174 HydrophobicContact CB-CD1 4.26Å; Q74-L174 HydrophobicContact CB-CD2 4.37Å; Y75-L174 HydrophobicContact CD1-CB 4.4Å; Y75-L174 HydrophobicContact CD1-CD1 3.72Å; Y75-L174 HydrophobicContact CE1-CB 3.78Å; Y75-L174 HydrophobicContact CE1-CD1 3.86Å; L79-L174 HydrophobicContact CD1-CD1 4.35Å; L79-L174 HydrophobicContact CG-CD1 4.43Å; N170-L174 WeakPolarHBondContact O-CG 3.44Å; N170-L174 PolarHBondContact O-N 3.44Å; A171-L174 PolarHBondContact O-N 3.28Å; L174-Q177 PolarHBondContact O-N 3.44Å; L174-C178 PolarHBondContact O-N 3.34Å |
| 175 | C | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 174.7 | -169.2 | 0 | 0 | 0 | 0 | 111.7 | A171 K172 L173 Q177 C178 H179 M227 | A171-C175 WeakPolarHBondContact O-CB 3.28Å; A171-C175 PolarHBondContact O-N 3.03Å; K172-C175 PolarHBondContact O-N 3.01Å; L173-C175 VanDerWaalsContact C-N 3.33Å; L173-C175 PolarHBondContact O-N 2.93Å; C175-Q177 VanDerWaalsContact C-N 3.34Å; C175-Q177 PolarHBondContact O-N 3.3Å; C175-C178 WeakPolarHBondContact O-CB 3.31Å; C175-C178 PolarHBondContact O-N 3.34Å; C175-C178 VanDerWaalsContact O-N 3.12Å; C175-H179 PolarHBondContact O-CD2 3.08Å; C175-H179 PolarHBondContact O-N 3.09Å; C175-M227 HydrophobicContact CB-CB 4.21Å; C175-M227 HydrophobicContact CB-CE 3.65Å; C175-M227 HydrophobicContact CB-CG 4Å; C175-M227 HydrophobicContact CB-SD 4.49Å; C175-M227 WeakPolarHBondContact SG-CE 3.4Å |
| 176 | N | 96.2 | Very high | 95.2 | Very high | 71 Ų | 71 | 52.1 Ų | 52.1 | 38% | 0.38 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 175.4 | -67.3 | -17.5 | 0 | 0 | 0 | 111.7 | K172 L173 C178 H179 D180 | K172-N176 VanDerWaalsContact O-CG 3.26Å; K172-N176 PolarHBondContact O-N 2.89Å; K172-N176 PolarHBondContact O-ND2 3.01Å; K172-N176 PolarHBondContact O-OD1 3.31Å; L173-N176 PolarHBondContact O-N 3.16Å; N176-C178 VanDerWaalsContact C-N 3.3Å; N176-C178 PolarHBondContact O-N 3.47Å; N176-H179 WeakPolarHBondContact O-CB 3.29Å; N176-H179 PolarHBondContact O-N 3.36Å; N176-H179 VanDerWaalsContact O-N 3.16Å; N176-D180 PolarHBondContact O-N 3.43Å |
| 177 | Q | 96.4 | Very high | 95.3 | Very high | 88 Ų | 88 | 56.6 Ų | 56.6 | 41% | 0.411 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 174.6 | -70 | 175.7 | 1 | 0 | 0 | 111.9 | L173 L174 C175 D180 R181 | L173-Q177 WeakPolarHBondContact O-CG 3.31Å; L173-Q177 PolarHBondContact O-N 2.95Å; L174-Q177 PolarHBondContact O-N 3.44Å; C175-Q177 VanDerWaalsContact C-N 3.34Å; C175-Q177 PolarHBondContact O-N 3.3Å; Q177-D180 PolarHBondContact O-N 3.24Å; Q177-R181 WeakPolarHBondContact O-CG 3.44Å; Q177-R181 PolarHBondContact O-N 3.33Å |
| 178 | C | 96.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 174.1 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | L71 L174 C175 N176 D180 R181 L182 | L71-C178 HydrophobicContact CB-CB 4.35Å; L71-C178 HydrophobicContact CD1-CB 4.07Å; L71-C178 HydrophobicContact CD2-CB 4.05Å; L71-C178 HydrophobicContact CG-CB 4.38Å; L174-C178 PolarHBondContact O-N 3.34Å; C175-C178 WeakPolarHBondContact O-CB 3.31Å; C175-C178 PolarHBondContact O-N 3.34Å; C175-C178 VanDerWaalsContact O-N 3.12Å; N176-C178 VanDerWaalsContact C-N 3.3Å; N176-C178 PolarHBondContact O-N 3.47Å; C178-D180 VanDerWaalsContact C-N 3.31Å; C178-D180 PolarHBondContact O-N 3.04Å; C178-R181 PolarHBondContact O-N 3.39Å; C178-L182 WeakPolarHBondContact O-CG 3.32Å; C178-L182 PolarHBondContact O-N 3.05Å |
| 179 | H | 95.9 | Very high | 95.4 | Very high | 18 Ų | 18 | 57.1 Ų | 57.1 | 8% | 0.083 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.5 | -40.9 | 175.1 | -74.7 | -166.2 | 0 | 0 | 0 | 112.3 | C175 N176 R181 L182 R183 A220 E224 | C175-H179 PolarHBondContact O-CD2 3.08Å; C175-H179 PolarHBondContact O-N 3.09Å; N176-H179 WeakPolarHBondContact O-CB 3.29Å; N176-H179 PolarHBondContact O-N 3.36Å; N176-H179 VanDerWaalsContact O-N 3.16Å; H179-R181 VanDerWaalsContact C-N 3.35Å; H179-L182 PolarHBondContact O-N 3.49Å; H179-R183 WeakPolarHBondContact O-CG 3.18Å; H179-R183 PolarHBondContact O-N 3.43Å; H179-A220 PolarHBondContact NE2-O 2.83Å; H179-E224 IonicContact CE1-OE1 2.73Å; H179-E224 PolarHBondContact CE1-OE1 2.99Å |
| 180 | D | 96.5 | Very high | 95.3 | Very high | 92 Ų | 92 | 51.1 Ų | 51.1 | 49% | 0.492 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65 | -38.3 | 176.2 | -68.2 | -27.3 | 0 | 0 | 0 | 112.2 | N176 Q177 C178 R183 A184 | N176-D180 PolarHBondContact O-N 3.43Å; Q177-D180 PolarHBondContact O-N 3.24Å; C178-D180 VanDerWaalsContact C-N 3.31Å; C178-D180 PolarHBondContact O-N 3.04Å; D180-R183 WeakPolarHBondContact O-CB 3.28Å; D180-R183 PolarHBondContact O-N 3.03Å; D180-R183 IonicContact OD1-CZ 3.75Å; D180-R183 IonicContact OD1-NH1 3.94Å; D180-R183 PolarHBondContact OD1-NH1 2.83Å; D180-A184 PolarHBondContact O-N 3.13Å |
| 181 | R | 96.6 | Very high | 95.3 | Very high | 88 Ų | 88 | 53.5 Ų | 53.5 | 33% | 0.332 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 173.6 | -66.9 | 177.7 | -165.6 | 163.4 | 1.4 | 112.1 | E67 Q177 C178 H179 R183 A184 V185 | E67-R181 HydrophobicContact CG-CB 4.21Å; E67-R181 WeakPolarHBondContact OE2-CB 3.46Å; E67-R181 WeakPolarHBondContact OE2-CD 3.4Å; E67-R181 IonicContact OE2-NH1 2.72Å; Q177-R181 WeakPolarHBondContact O-CG 3.44Å; Q177-R181 PolarHBondContact O-N 3.33Å; C178-R181 PolarHBondContact O-N 3.39Å; H179-R181 VanDerWaalsContact C-N 3.35Å; R181-R183 VanDerWaalsContact C-N 3.29Å; R181-R183 PolarHBondContact O-N 3.15Å; R181-A184 WeakPolarHBondContact O-CB 3.2Å; R181-A184 PolarHBondContact O-N 3.46Å; R181-A184 VanDerWaalsContact O-N 3.08Å; R181-V185 WeakPolarHBondContact O-CG2 3.48Å; R181-V185 PolarHBondContact O-N 3.05Å |
| 182 | L | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 173.8 | -67.5 | 172.1 | 0 | 0 | 0 | 111.3 | M64 E67 C178 H179 A184 V185 M186 | M64-L182 HydrophobicContact CB-CD2 4.24Å; M64-L182 HydrophobicContact CG-CD2 4.43Å; M64-L182 HydrophobicContact SD-CB 4.26Å; M64-L182 HydrophobicContact SD-CD2 3.37Å; M64-L182 WeakPolarHBondContact SD-CD2 3.49Å; M64-L182 HydrophobicContact SD-CG 4.41Å; E67-L182 HydrophobicContact CB-CD2 4.01Å; C178-L182 WeakPolarHBondContact O-CG 3.32Å; C178-L182 PolarHBondContact O-N 3.05Å; H179-L182 PolarHBondContact O-N 3.49Å; L182-A184 VanDerWaalsContact C-N 3.35Å; L182-V185 PolarHBondContact O-N 3.34Å; L182-M186 WeakPolarHBondContact O-CB 3.38Å; L182-M186 PolarHBondContact O-N 3.13Å |
| 183 | R | 94.9 | Very high | 94.8 | Very high | 98 Ų | 98 | 53.6 Ų | 53.6 | 37% | 0.37 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.1 | -39 | 172.9 | -72.7 | 175 | -168.9 | 115.9 | 7.8 | 112.1 | H179 D180 R181 M186 R187 M216 | H179-R183 WeakPolarHBondContact O-CG 3.18Å; H179-R183 PolarHBondContact O-N 3.43Å; D180-R183 WeakPolarHBondContact O-CB 3.28Å; D180-R183 PolarHBondContact O-N 3.03Å; D180-R183 IonicContact OD1-CZ 3.75Å; D180-R183 IonicContact OD1-NH1 3.94Å; D180-R183 PolarHBondContact OD1-NH1 2.83Å; R181-R183 VanDerWaalsContact C-N 3.29Å; R181-R183 PolarHBondContact O-N 3.15Å; R183-M186 PolarHBondContact O-N 3.16Å; R183-R187 VanDerWaalsContact O-CB 3.3Å; R183-R187 WeakPolarHBondContact O-CB 3.4Å; R183-R187 PolarHBondContact O-N 3.18Å; R183-M216 HydrophobicContact CG-CE 3.57Å |
| 184 | A | 95.9 | Very high | 94.4 | Very high | 61 Ų | 61 | 55.6 Ų | 55.6 | 50% | 0.504 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D180 R181 L182 R187 S188 | D180-A184 PolarHBondContact O-N 3.13Å; R181-A184 WeakPolarHBondContact O-CB 3.2Å; R181-A184 PolarHBondContact O-N 3.46Å; R181-A184 VanDerWaalsContact O-N 3.08Å; L182-A184 VanDerWaalsContact C-N 3.35Å; A184-R187 PolarHBondContact O-N 3.36Å; A184-S188 PolarHBondContact O-N 3.27Å |
| 185 | V | 95.3 | Very high | 94.1 | Very high | 15 Ų | 15 | 59.9 Ų | 59.9 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.6 | -54.6 | 172.8 | 177.1 | 0 | 0 | 0 | 0 | 109.7 | E63 M64 E67 R181 L182 R187 S188 Y189 | E63-V185 HydrophobicContact CB-CG1 3.98Å; M64-V185 HydrophobicContact CE-CB 3.83Å; M64-V185 HydrophobicContact CE-CG1 3.54Å; M64-V185 HydrophobicContact CG-CG1 4.27Å; M64-V185 HydrophobicContact SD-CB 3.9Å; M64-V185 HydrophobicContact SD-CG1 3.76Å; E67-V185 HydrophobicContact CG-CG2 4.38Å; R181-V185 WeakPolarHBondContact O-CG2 3.48Å; R181-V185 PolarHBondContact O-N 3.05Å; L182-V185 PolarHBondContact O-N 3.34Å; V185-R187 VanDerWaalsContact C-N 3.29Å; V185-R187 PolarHBondContact O-N 3.5Å; V185-S188 WeakPolarHBondContact O-CB 3.5Å; V185-S188 PolarHBondContact O-N 2.92Å; V185-S188 PolarHBondContact O-OG 3.38Å; V185-Y189 HydrophobicContact CG1-CD2 3.96Å; V185-Y189 HydrophobicContact CG1-CE2 3.73Å; V185-Y189 VanDerWaalsContact O-CD2 3.27Å; V185-Y189 WeakPolarHBondContact O-CD2 3.31Å; V185-Y189 PolarHBondContact O-N 2.94Å |
| 186 | M | 93.8 | Very high | 93.6 | Very high | 30 Ų | 30 | 63.3 Ų | 63.3 | 15% | 0.148 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -53.5 | -45.4 | 178.1 | -176 | -173 | 76.3 | 0 | 0 | 112.1 | M64 L182 R183 S188 Y189 E190 L212 M216 | M64-M186 HydrophobicContact CE-CB 4.21Å; L182-M186 WeakPolarHBondContact O-CB 3.38Å; L182-M186 PolarHBondContact O-N 3.13Å; R183-M186 PolarHBondContact O-N 3.16Å; M186-S188 VanDerWaalsContact C-N 3.29Å; M186-S188 PolarHBondContact O-N 3.17Å; M186-Y189 PolarHBondContact O-N 2.68Å; M186-Y189 VanDerWaalsContact O-N 3.14Å; M186-E190 WeakPolarHBondContact CE-OE1 3.37Å; M186-E190 PolarHBondContact O-N 3.06Å; M186-L212 HydrophobicContact CG-CB 4.49Å; M186-M216 HydrophobicContact SD-CB 3.87Å; M186-M216 HydrophobicContact SD-CG 3.87Å |
| 187 | R | 94.2 | Very high | 93 | Very high | 174 Ų | 174 | 65 Ų | 65 | 66% | 0.657 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.3 | -35.9 | 178.1 | -165.3 | 179.9 | -171.6 | 108 | -3.6 | 112.4 | R183 A184 V185 E190 I191 | R183-R187 VanDerWaalsContact O-CB 3.3Å; R183-R187 WeakPolarHBondContact O-CB 3.4Å; R183-R187 PolarHBondContact O-N 3.18Å; A184-R187 PolarHBondContact O-N 3.36Å; V185-R187 VanDerWaalsContact C-N 3.29Å; V185-R187 PolarHBondContact O-N 3.5Å; R187-E190 PolarHBondContact O-N 3.2Å; R187-I191 HydrophobicContact CG-CD1 4.41Å; R187-I191 WeakPolarHBondContact O-CD1 3.43Å; R187-I191 VanDerWaalsContact O-CG1 3.27Å; R187-I191 WeakPolarHBondContact O-CG1 3.3Å; R187-I191 PolarHBondContact O-N 3.39Å |
| 188 | S | 94.4 | Very high | 92.5 | Very high | 42 Ų | 42 | 70.9 Ų | 70.9 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 175.5 | 81.9 | 0 | 0 | 0 | 0 | 111.9 | A184 V185 M186 I191 K192 | A184-S188 PolarHBondContact O-N 3.27Å; V185-S188 WeakPolarHBondContact O-CB 3.5Å; V185-S188 PolarHBondContact O-N 2.92Å; V185-S188 PolarHBondContact O-OG 3.38Å; M186-S188 VanDerWaalsContact C-N 3.29Å; M186-S188 PolarHBondContact O-N 3.17Å; S188-I191 PolarHBondContact O-N 3.19Å; S188-K192 WeakPolarHBondContact O-CG 3.43Å; S188-K192 PolarHBondContact O-N 3.41Å |
| 189 | Y | 93.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 77.9 Ų | 77.9 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72.2 | -37.2 | 176.8 | -74.3 | -82.9 | 0 | 0 | 0 | 112 | L55 S59 M60 E63 V185 M186 I191 K192 M193 | L55-Y189 HydrophobicContact CD2-CD1 4.41Å; S59-Y189 PolarHBondContact OG-OH 3.33Å; M60-Y189 VanDerWaalsContact CA-CZ 3.49Å; M60-Y189 WeakPolarHBondContact CA-OH 3.38Å; M60-Y189 HydrophobicContact CB-CD1 4.27Å; M60-Y189 HydrophobicContact CB-CD2 4.3Å; M60-Y189 HydrophobicContact CB-CE1 3.79Å; M60-Y189 HydrophobicContact CB-CE2 3.89Å; M60-Y189 HydrophobicContact CG-CD2 3.95Å; M60-Y189 HydrophobicContact CG-CE1 4.44Å; M60-Y189 HydrophobicContact CG-CE2 3.91Å; M60-Y189 HydrophobicContact CG-CG 4.32Å; M60-Y189 PolarHBondContact N-OH 3.21Å; E63-Y189 VanDerWaalsContact CD-OH 3.28Å; E63-Y189 PolarHBondContact OE1-OH 2.94Å; V185-Y189 HydrophobicContact CG1-CD2 3.96Å; V185-Y189 HydrophobicContact CG1-CE2 3.73Å; V185-Y189 VanDerWaalsContact O-CD2 3.27Å; V185-Y189 WeakPolarHBondContact O-CD2 3.31Å; V185-Y189 PolarHBondContact O-N 2.94Å; M186-Y189 PolarHBondContact O-N 2.68Å; M186-Y189 VanDerWaalsContact O-N 3.14Å; Y189-I191 VanDerWaalsContact C-N 3.31Å; Y189-I191 PolarHBondContact O-N 3.07Å; Y189-K192 HydrophobicContact CD1-CD 4.31Å; Y189-K192 PolarHBondContact O-N 3.46Å; Y189-M193 WeakPolarHBondContact O-CG 3.35Å; Y189-M193 PolarHBondContact O-N 3.3Å |
| 190 | E | 92.1 | Very high | 91.3 | Very high | 36 Ų | 36 | 78 Ų | 78 | 17% | 0.168 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59 | -40.9 | 171.5 | -75.8 | -177 | -160.3 | 0 | 0 | 112.5 | M186 R187 M193 R194 L212 | M186-E190 WeakPolarHBondContact CE-OE1 3.37Å; M186-E190 PolarHBondContact O-N 3.06Å; R187-E190 PolarHBondContact O-N 3.2Å; E190-M193 PolarHBondContact O-N 2.92Å; E190-R194 VanDerWaalsContact O-CG 3.28Å; E190-R194 WeakPolarHBondContact O-CG 3.31Å; E190-R194 PolarHBondContact O-N 3.3Å; E190-R194 IonicContact OE2-NH2 3.29Å; E190-R194 PolarHBondContact OE2-NH2 3.45Å; E190-L212 HydrophobicContact CG-CD1 4.04Å |
| 191 | I | 92.7 | Very high | 90.8 | Very high | 102 Ų | 102 | 77 Ų | 77 | 52% | 0.523 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 177.1 | -68.2 | 163.9 | 0 | 0 | 0 | 110.2 | R187 S188 Y189 M193 R194 S195 | R187-I191 HydrophobicContact CG-CD1 4.41Å; R187-I191 WeakPolarHBondContact O-CD1 3.43Å; R187-I191 VanDerWaalsContact O-CG1 3.27Å; R187-I191 WeakPolarHBondContact O-CG1 3.3Å; R187-I191 PolarHBondContact O-N 3.39Å; S188-I191 PolarHBondContact O-N 3.19Å; Y189-I191 VanDerWaalsContact C-N 3.31Å; Y189-I191 PolarHBondContact O-N 3.07Å; I191-M193 VanDerWaalsContact C-N 3.29Å; I191-M193 PolarHBondContact O-N 3.44Å; I191-R194 PolarHBondContact O-N 3.37Å; I191-S195 PolarHBondContact O-N 3.04Å |
| 192 | K | 90.5 | Very high | 90.4 | Very high | 100 Ų | 100 | 78.6 Ų | 78.6 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.8 | -33.6 | 174.2 | -67.2 | 173.2 | -174.6 | 174.2 | 0 | 112.6 | S188 Y189 S195 | S188-K192 WeakPolarHBondContact O-CG 3.43Å; S188-K192 PolarHBondContact O-N 3.41Å; Y189-K192 HydrophobicContact CD1-CD 4.31Å; Y189-K192 PolarHBondContact O-N 3.46Å; K192-S195 PolarHBondContact O-OG 2.72Å |
| 193 | M | 90.2 | Very high | 90 | Very high | 3 Ų | 3 | 83.6 Ų | 83.6 | 2% | 0.015 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -72.4 | -37.7 | 173.6 | -74 | -179.8 | 51.1 | 0 | 0 | 112.9 | L55 Y189 E190 I191 S195 K196 K197 Y205 L208 Q209 L212 | L55-M193 HydrophobicContact CD1-CG 4.3Å; L55-M193 HydrophobicContact CD1-SD 3.76Å; L55-M193 HydrophobicContact CD2-CG 3.45Å; L55-M193 VanDerWaalsContact CD2-CG 3.45Å; L55-M193 HydrophobicContact CD2-SD 3.95Å; L55-M193 HydrophobicContact CG-CG 4.06Å; L55-M193 HydrophobicContact CG-SD 4.18Å; Y189-M193 WeakPolarHBondContact O-CG 3.35Å; Y189-M193 PolarHBondContact O-N 3.3Å; E190-M193 PolarHBondContact O-N 2.92Å; I191-M193 VanDerWaalsContact C-N 3.29Å; I191-M193 PolarHBondContact O-N 3.44Å; M193-S195 VanDerWaalsContact C-N 3.28Å; M193-S195 PolarHBondContact O-N 2.93Å; M193-K196 PolarHBondContact O-N 2.87Å; M193-K197 PolarHBondContact O-N 3.11Å; M193-Y205 HydrophobicContact CB-CE2 4.14Å; M193-Y205 HydrophobicContact CE-CD2 3.98Å; M193-Y205 HydrophobicContact CE-CE2 3.87Å; M193-L208 HydrophobicContact CE-CB 3.31Å; M193-L208 HydrophobicContact CE-CD1 4.14Å; M193-L208 HydrophobicContact CE-CG 4.38Å; M193-L208 HydrophobicContact SD-CB 4.11Å; M193-Q209 HydrophobicContact CE-CG 3.85Å; M193-L212 HydrophobicContact SD-CD1 3.35Å; M193-L212 WeakPolarHBondContact SD-CD1 3.36Å; M193-L212 HydrophobicContact SD-CG 4.08Å |
| 194 | R | 89.1 | Confident | 89.7 | Confident | 142 Ų | 142 | 80.3 Ų | 80.3 | 54% | 0.536 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.4 | -33.4 | -179.4 | -75.2 | 173.3 | -163.7 | -161.8 | 7.8 | 112.1 | E190 I191 K196 K197 Y205 | E190-R194 VanDerWaalsContact O-CG 3.28Å; E190-R194 WeakPolarHBondContact O-CG 3.31Å; E190-R194 PolarHBondContact O-N 3.3Å; E190-R194 IonicContact OE2-NH2 3.29Å; E190-R194 PolarHBondContact OE2-NH2 3.45Å; I191-R194 PolarHBondContact O-N 3.37Å; R194-K196 VanDerWaalsContact C-N 3.32Å; R194-K197 VanDerWaalsContact O-CB 3.25Å; R194-K197 WeakPolarHBondContact O-CB 3.39Å; R194-K197 PolarHBondContact O-N 2.86Å; R194-Y205 WeakPolarHBondContact CG-OH 3.4Å |
| 195 | S | 88.4 | Confident | 89.4 | Confident | 94 Ų | 94 | 78.2 Ų | 78.2 | 66% | 0.657 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.6 | -32.9 | 175.3 | 56.9 | 0 | 0 | 0 | 0 | 112.8 | I191 K192 M193 K197 | I191-S195 PolarHBondContact O-N 3.04Å; K192-S195 PolarHBondContact O-OG 2.72Å; M193-S195 VanDerWaalsContact C-N 3.28Å; M193-S195 PolarHBondContact O-N 2.93Å; S195-K197 VanDerWaalsContact C-N 3.32Å; S195-K197 PolarHBondContact O-N 3.02Å |
| 196 | K | 86.1 | Confident | 89.2 | Confident | 71 Ų | 71 | 79.1 Ų | 79.1 | 31% | 0.309 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 3.6 | 176.9 | -59.3 | -176.3 | -176.8 | -179.2 | 0 | 114.3 | Y54 M193 R194 K198 E199 L200 | Y54-K196 PolarHBondContact O-NZ 2.94Å; M193-K196 PolarHBondContact O-N 2.87Å; R194-K196 VanDerWaalsContact C-N 3.32Å; K196-K198 PolarHBondContact O-N 3.01Å; K196-E199 PolarHBondContact O-N 2.74Å; K196-L200 HydrophobicContact CB-CD1 4.44Å |
| 197 | K | 84.4 | Confident | 89 | Confident | 108 Ų | 108 | 78.1 Ų | 78.1 | 47% | 0.47 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -28.1 | -173.6 | -171.7 | 179.8 | 179.4 | -174 | 0 | 113.8 | M193 R194 S195 E199 L200 Y205 | M193-K197 PolarHBondContact O-N 3.11Å; R194-K197 VanDerWaalsContact O-CB 3.25Å; R194-K197 WeakPolarHBondContact O-CB 3.39Å; R194-K197 PolarHBondContact O-N 2.86Å; S195-K197 VanDerWaalsContact C-N 3.32Å; S195-K197 PolarHBondContact O-N 3.02Å; K197-E199 VanDerWaalsContact C-N 3.29Å; K197-E199 PolarHBondContact O-N 3.13Å; K197-L200 PolarHBondContact O-N 3.43Å; K197-Y205 HydrophobicContact CG-CD2 4.49Å |
| 198 | K | 84.5 | Confident | 88.8 | Confident | 210 Ų | 210 | 69.9 Ų | 69.9 | 91% | 0.913 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -23.6 | 179.5 | -64.6 | -177.5 | -179.1 | 179 | 0 | 113.6 | K196 | K196-K198 PolarHBondContact O-N 3.01Š|
| 199 | E | 84.7 | Confident | 88.6 | Confident | 149 Ų | 149 | 71 Ų | 71 | 70% | 0.696 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -12.4 | -178.3 | -63.3 | 169.2 | -172.2 | 0 | 0 | 112.1 | K196 K197 | K196-E199 PolarHBondContact O-N 2.74Å; K197-E199 VanDerWaalsContact C-N 3.29Å; K197-E199 PolarHBondContact O-N 3.13Å |
| 200 | L | 82.5 | Confident | 88.5 | Confident | 20 Ų | 20 | 73.9 Ų | 73.9 | 11% | 0.105 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -106.3 | 134.9 | -170.5 | -71.7 | 170.8 | 0 | 0 | 0 | 111.6 | Y54 K196 K197 V204 Y205 L208 | Y54-L200 HydrophobicContact CD1-CD2 3.43Å; Y54-L200 VanDerWaalsContact CD1-CD2 3.43Å; Y54-L200 HydrophobicContact CD1-CG 4.2Å; Y54-L200 HydrophobicContact CD2-CD2 3.89Å; Y54-L200 HydrophobicContact CE1-CD2 3.29Å; Y54-L200 HydrophobicContact CE1-CG 4.24Å; Y54-L200 HydrophobicContact CE2-CD2 3.79Å; Y54-L200 HydrophobicContact CG-CD2 3.72Å; Y54-L200 VanDerWaalsContact CZ-CD2 3.49Å; K196-L200 HydrophobicContact CB-CD1 4.44Å; K197-L200 PolarHBondContact O-N 3.43Å; L200-V204 HydrophobicContact CD2-CB 4.46Å; L200-V204 HydrophobicContact CD2-CG1 3.83Å; L200-Y205 HydrophobicContact CD1-CD2 4.15Å; L200-L208 HydrophobicContact CD1-CD1 3.99Å; L200-L208 HydrophobicContact CD2-CD1 4.27Å |
| 201 | S | 87.2 | Confident | 88.5 | Confident | 71 Ų | 71 | 74.3 Ų | 74.3 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | trans | -61.8 | 145.8 | 163.6 | 178.8 | 0 | 0 | 0 | 0 | 110.1 | D203 V204 Y205 | S201-D203 PolarHBondContact O-N 3.26Å; S201-V204 PolarHBondContact O-N 2.81Å; S201-V204 VanDerWaalsContact O-N 3.12Å; S201-Y205 PolarHBondContact O-N 3.25Å | ||
| 202 | Q | 88.1 | Confident | 88.5 | Confident | 122 Ų | 122 | 69.6 Ų | 69.6 | 57% | 0.57 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -56.1 | -34.9 | -179 | -177 | 64.1 | 24.9 | 0 | 0 | 112.4 | A206 | Q202-A206 PolarHBondContact O-N 2.87Å; Q202-A206 VanDerWaalsContact O-N 3.11Å |
| 203 | D | 88.4 | Confident | 88.6 | Confident | 104 Ų | 104 | 68.8 Ų | 68.8 | 56% | 0.556 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -71.5 | -42 | 179 | -66 | -27.5 | 0 | 0 | 0 | 111.8 | V44 S201 Y205 A206 S207 | V44-D203 HydrophobicContact CG2-CB 4.1Å; S201-D203 PolarHBondContact O-N 3.26Å; D203-Y205 VanDerWaalsContact C-N 3.35Å; D203-A206 PolarHBondContact O-N 3.13Å; D203-S207 PolarHBondContact O-N 3.35Å; D203-S207 PolarHBondContact O-OG 3.23Å |
| 204 | V | 88.1 | Confident | 88.7 | Confident | 30 Ų | 30 | 73.5 Ų | 73.5 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.3 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | L46 Y54 L200 S201 A206 S207 L208 | L46-V204 HydrophobicContact CD1-CG1 4.02Å; L46-V204 HydrophobicContact CD2-CG1 4.29Å; L46-V204 HydrophobicContact CD2-CG2 4.43Å; Y54-V204 HydrophobicContact CE2-CG1 4.27Å; L200-V204 HydrophobicContact CD2-CB 4.46Å; L200-V204 HydrophobicContact CD2-CG1 3.83Å; S201-V204 PolarHBondContact O-N 2.81Å; S201-V204 VanDerWaalsContact O-N 3.12Å; V204-A206 VanDerWaalsContact C-N 3.33Å; V204-A206 PolarHBondContact O-N 3.43Å; V204-S207 PolarHBondContact O-N 3.21Å; V204-L208 HydrophobicContact CG1-CD1 4.19Å; V204-L208 HydrophobicContact CG1-CG 4.38Å; V204-L208 VanDerWaalsContact O-CG 3.32Å; V204-L208 WeakPolarHBondContact O-CG 3.49Å; V204-L208 PolarHBondContact O-N 2.79Å |
| 205 | Y | 90.2 | Very high | 88.9 | Confident | 16 Ų | 16 | 67.6 Ų | 67.6 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 176.4 | -176.2 | -96.6 | 0 | 0 | 0 | 112.1 | M193 R194 K197 L200 S201 D203 L208 Q209 | M193-Y205 HydrophobicContact CB-CE2 4.14Å; M193-Y205 HydrophobicContact CE-CD2 3.98Å; M193-Y205 HydrophobicContact CE-CE2 3.87Å; R194-Y205 WeakPolarHBondContact CG-OH 3.4Å; K197-Y205 HydrophobicContact CG-CD2 4.49Å; L200-Y205 HydrophobicContact CD1-CD2 4.15Å; S201-Y205 PolarHBondContact O-N 3.25Å; D203-Y205 VanDerWaalsContact C-N 3.35Å; Y205-L208 PolarHBondContact O-N 3.33Å; Y205-Q209 HydrophobicContact CD1-CG 4.3Å; Y205-Q209 HydrophobicContact CE1-CG 3.93Å; Y205-Q209 VanDerWaalsContact CE1-OE1 3.32Å; Y205-Q209 WeakPolarHBondContact O-CG 3.46Å; Y205-Q209 PolarHBondContact O-N 2.87Å; Y205-Q209 PolarHBondContact OH-NE2 2.96Å |
| 206 | A | 89.5 | Confident | 89.2 | Confident | 34 Ų | 34 | 64.1 Ų | 64.1 | 28% | 0.281 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q202 D203 V204 Q209 Q210 | Q202-A206 PolarHBondContact O-N 2.87Å; Q202-A206 VanDerWaalsContact O-N 3.11Å; D203-A206 PolarHBondContact O-N 3.13Å; V204-A206 VanDerWaalsContact C-N 3.33Å; V204-A206 PolarHBondContact O-N 3.43Å; A206-Q209 PolarHBondContact O-N 3.38Å; A206-Q210 PolarHBondContact O-N 2.56Å |
| 207 | S | 89.9 | Confident | 89.6 | Confident | 10 Ų | 10 | 66.2 Ų | 66.2 | 7% | 0.07 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 175.5 | -71.5 | 0 | 0 | 0 | 0 | 112.6 | V44 L46 D203 V204 Q210 H211 | V44-S207 PolarHBondContact N-OG 3.44Å; V44-S207 PolarHBondContact O-OG 2.96Å; L46-S207 VanDerWaalsContact CD1-CB 3.47Å; D203-S207 PolarHBondContact O-N 3.35Å; D203-S207 PolarHBondContact O-OG 3.23Å; V204-S207 PolarHBondContact O-N 3.21Å; S207-Q210 PolarHBondContact O-N 3.22Å; S207-H211 PolarHBondContact O-N 3.39Å |
| 208 | L | 90.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 175.7 | -69.8 | 173.5 | 0 | 0 | 0 | 112.2 | L46 I51 Y54 L55 M193 L200 V204 Y205 Q210 H211 L212 | L46-L208 HydrophobicContact CD1-CD2 3.99Å; L46-L208 HydrophobicContact CD1-CG 4.05Å; I51-L208 HydrophobicContact CB-CD2 4.13Å; I51-L208 HydrophobicContact CG1-CD2 4.03Å; I51-L208 HydrophobicContact CG2-CD2 3.8Å; Y54-L208 HydrophobicContact CD2-CD1 4.23Å; Y54-L208 HydrophobicContact CG-CD1 4.27Å; L55-L208 HydrophobicContact CD1-CB 4.45Å; L55-L208 HydrophobicContact CD1-CD2 4.09Å; M193-L208 HydrophobicContact CE-CB 3.31Å; M193-L208 HydrophobicContact CE-CD1 4.14Å; M193-L208 HydrophobicContact CE-CG 4.38Å; M193-L208 HydrophobicContact SD-CB 4.11Å; L200-L208 HydrophobicContact CD1-CD1 3.99Å; L200-L208 HydrophobicContact CD2-CD1 4.27Å; V204-L208 HydrophobicContact CG1-CD1 4.19Å; V204-L208 HydrophobicContact CG1-CG 4.38Å; V204-L208 VanDerWaalsContact O-CG 3.32Å; V204-L208 WeakPolarHBondContact O-CG 3.49Å; V204-L208 PolarHBondContact O-N 2.79Å; Y205-L208 PolarHBondContact O-N 3.33Å; L208-Q210 VanDerWaalsContact C-N 3.34Å; L208-H211 PolarHBondContact O-N 3.23Å; L208-L212 PolarHBondContact O-N 3.12Å |
| 209 | Q | 91.1 | Very high | 90.7 | Very high | 65 Ų | 65 | 54.4 Ų | 54.4 | 30% | 0.304 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 175.1 | -73 | -173.4 | -53 | 0 | 0 | 111.4 | M193 Y205 A206 H211 L212 E213 | M193-Q209 HydrophobicContact CE-CG 3.85Å; Y205-Q209 HydrophobicContact CD1-CG 4.3Å; Y205-Q209 HydrophobicContact CE1-CG 3.93Å; Y205-Q209 VanDerWaalsContact CE1-OE1 3.32Å; Y205-Q209 WeakPolarHBondContact O-CG 3.46Å; Y205-Q209 PolarHBondContact O-N 2.87Å; Y205-Q209 PolarHBondContact OH-NE2 2.96Å; A206-Q209 PolarHBondContact O-N 3.38Å; Q209-H211 VanDerWaalsContact C-N 3.31Å; Q209-H211 PolarHBondContact O-N 3.01Å; Q209-L212 PolarHBondContact O-N 3.19Å; Q209-E213 PolarHBondContact O-N 3.47Å |
| 210 | Q | 91.7 | Very high | 91.3 | Very high | 64 Ų | 64 | 47.8 Ų | 47.8 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 175.8 | -175.8 | -179.3 | -15.4 | 0 | 0 | 111.5 | M43 A206 S207 L208 L212 E213 E214 | M43-Q210 VanDerWaalsContact CE-OE1 3.27Å; M43-Q210 VanDerWaalsContact CG-OE1 3.26Å; M43-Q210 PolarHBondContact SD-OE1 3.4Å; M43-Q210 VanDerWaalsContact SD-OE1 3.34Å; A206-Q210 PolarHBondContact O-N 2.56Å; S207-Q210 PolarHBondContact O-N 3.22Å; L208-Q210 VanDerWaalsContact C-N 3.34Å; Q210-L212 PolarHBondContact O-N 2.82Å; Q210-E213 PolarHBondContact O-N 3.44Å; Q210-E214 HydrophobicContact CG-CG 4.32Å; Q210-E214 WeakPolarHBondContact CG-OE1 3.37Å; Q210-E214 PolarHBondContact NE2-OE1 2.86Å; Q210-E214 WeakPolarHBondContact O-CB 3.38Å; Q210-E214 WeakPolarHBondContact O-CG 3.43Å; Q210-E214 PolarHBondContact O-N 2.99Å |
| 211 | H | 91.3 | Very high | 91.9 | Very high | 46 Ų | 46 | 55 Ų | 55 | 21% | 0.213 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 176.5 | -177.9 | -84.9 | 0 | 0 | 0 | 112.3 | I51 S207 L208 Q209 E214 T215 | I51-H211 HydrophobicContact CD1-CB 4.39Å; S207-H211 PolarHBondContact O-N 3.39Å; L208-H211 PolarHBondContact O-N 3.23Å; Q209-H211 VanDerWaalsContact C-N 3.31Å; Q209-H211 PolarHBondContact O-N 3.01Å; H211-E214 PolarHBondContact O-N 3.18Å; H211-T215 PolarHBondContact CE1-OG1 3.14Å; H211-T215 WeakPolarHBondContact O-CB 3.22Å; H211-T215 PolarHBondContact O-N 3Å; H211-T215 PolarHBondContact O-OG1 2.86Å |
| 212 | L | 92.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | 174.4 | -71.7 | -175.1 | 0 | 0 | 0 | 111.7 | L55 M60 M186 E190 M193 L208 Q209 Q210 T215 M216 | L55-L212 HydrophobicContact CD1-CD2 3.94Å; L55-L212 HydrophobicContact CD1-CG 4.19Å; M60-L212 HydrophobicContact CE-CD2 4.29Å; M60-L212 HydrophobicContact SD-CD2 3.26Å; M60-L212 WeakPolarHBondContact SD-CD2 3.37Å; M186-L212 HydrophobicContact CG-CB 4.49Å; E190-L212 HydrophobicContact CG-CD1 4.04Å; M193-L212 HydrophobicContact SD-CD1 3.35Å; M193-L212 WeakPolarHBondContact SD-CD1 3.36Å; M193-L212 HydrophobicContact SD-CG 4.08Å; L208-L212 PolarHBondContact O-N 3.12Å; Q209-L212 PolarHBondContact O-N 3.19Å; Q210-L212 PolarHBondContact O-N 2.82Å; L212-T215 PolarHBondContact O-N 3.05Å; L212-M216 WeakPolarHBondContact O-CB 3.4Å; L212-M216 PolarHBondContact O-N 2.93Å |
| 213 | E | 92.7 | Very high | 92.7 | Very high | 83 Ų | 83 | 50.4 Ų | 50.4 | 39% | 0.388 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64 | -43.1 | 178.1 | -73.2 | -172.3 | -159.9 | 0 | 0 | 112.4 | Q209 Q210 M216 R217 | Q209-E213 PolarHBondContact O-N 3.47Å; Q210-E213 PolarHBondContact O-N 3.44Å; E213-M216 PolarHBondContact O-N 2.97Å; E213-R217 WeakPolarHBondContact O-CB 3.41Å; E213-R217 WeakPolarHBondContact O-CG 3.39Å; E213-R217 PolarHBondContact O-N 3.47Å; E213-R217 IonicContact OE2-CZ 2.79Å; E213-R217 IonicContact OE2-NH2 2.78Å; E213-R217 PolarHBondContact OE2-NH2 2.88Å |
| 214 | E | 93.2 | Very high | 93.1 | Very high | 102 Ų | 102 | 49.2 Ų | 49.2 | 48% | 0.477 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 177.6 | -75.3 | 176.3 | -176.4 | 0 | 0 | 111.4 | Q210 H211 R217 S218 | Q210-E214 HydrophobicContact CG-CG 4.32Å; Q210-E214 WeakPolarHBondContact CG-OE1 3.37Å; Q210-E214 PolarHBondContact NE2-OE1 2.86Å; Q210-E214 WeakPolarHBondContact O-CB 3.38Å; Q210-E214 WeakPolarHBondContact O-CG 3.43Å; Q210-E214 PolarHBondContact O-N 2.99Å; H211-E214 PolarHBondContact O-N 3.18Å; E214-R217 PolarHBondContact O-N 2.87Å; E214-S218 PolarHBondContact O-N 2.76Å |
| 215 | T | 92.7 | Very high | 93.5 | Very high | 18 Ų | 18 | 52.1 Ų | 52.1 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.6 | -51.7 | 174.6 | -55.4 | 0 | 0 | 0 | 0 | 110.5 | M60 H211 L212 R217 S218 Y219 | M60-T215 HydrophobicContact CE-CG2 3.87Å; H211-T215 PolarHBondContact CE1-OG1 3.14Å; H211-T215 WeakPolarHBondContact O-CB 3.22Å; H211-T215 PolarHBondContact O-N 3Å; H211-T215 PolarHBondContact O-OG1 2.86Å; L212-T215 PolarHBondContact O-N 3.05Å; T215-R217 PolarHBondContact O-N 2.85Å; T215-S218 WeakPolarHBondContact O-CB 3.38Å; T215-S218 PolarHBondContact O-N 3.45Å; T215-S218 VanDerWaalsContact O-N 3.14Å; T215-Y219 HydrophobicContact CG2-CD2 3.87Å; T215-Y219 HydrophobicContact CG2-CE2 3.69Å; T215-Y219 VanDerWaalsContact O-CD2 3.24Å; T215-Y219 WeakPolarHBondContact O-CD2 3.37Å; T215-Y219 PolarHBondContact O-N 3.36Å; T215-Y219 VanDerWaalsContact O-N 3.1Å |
| 216 | M | 94.4 | Very high | 93.7 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 11% | 0.108 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 177.8 | 178.4 | -82.6 | -169.2 | 0 | 0 | 112 | R183 M186 L212 E213 S218 Y219 A220 | R183-M216 HydrophobicContact CG-CE 3.57Å; M186-M216 HydrophobicContact SD-CB 3.87Å; M186-M216 HydrophobicContact SD-CG 3.87Å; L212-M216 WeakPolarHBondContact O-CB 3.4Å; L212-M216 PolarHBondContact O-N 2.93Å; E213-M216 PolarHBondContact O-N 2.97Å; M216-S218 VanDerWaalsContact C-N 3.28Å; M216-S218 PolarHBondContact O-N 2.85Å; M216-Y219 PolarHBondContact O-N 3.42Å; M216-A220 WeakPolarHBondContact O-CB 3.49Å; M216-A220 PolarHBondContact O-N 2.89Å; M216-A220 HydrophobicContact SD-CB 4.43Å |
| 217 | R | 95.2 | Very high | 94 | Very high | 115 Ų | 115 | 53.2 Ų | 53.2 | 43% | 0.434 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.6 | -37.8 | 177.2 | -72.8 | 170.8 | -163.7 | -164.9 | 9.2 | 111.6 | E213 E214 T215 R221 | E213-R217 WeakPolarHBondContact O-CB 3.41Å; E213-R217 WeakPolarHBondContact O-CG 3.39Å; E213-R217 PolarHBondContact O-N 3.47Å; E213-R217 IonicContact OE2-CZ 2.79Å; E213-R217 IonicContact OE2-NH2 2.78Å; E213-R217 PolarHBondContact OE2-NH2 2.88Å; E214-R217 PolarHBondContact O-N 2.87Å; T215-R217 PolarHBondContact O-N 2.85Å; R217-R221 WeakPolarHBondContact O-CB 3.49Å; R217-R221 VanDerWaalsContact O-CG 3.23Å; R217-R221 WeakPolarHBondContact O-CG 3.46Å; R217-R221 PolarHBondContact O-N 2.95Å |
| 218 | S | 95.9 | Very high | 94.2 | Very high | 57 Ų | 57 | 57.7 Ų | 57.7 | 40% | 0.399 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.3 | -48.3 | 175 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | E214 T215 M216 R221 K222 | E214-S218 PolarHBondContact O-N 2.76Å; T215-S218 WeakPolarHBondContact O-CB 3.38Å; T215-S218 PolarHBondContact O-N 3.45Å; T215-S218 VanDerWaalsContact O-N 3.14Å; M216-S218 VanDerWaalsContact C-N 3.28Å; M216-S218 PolarHBondContact O-N 2.85Å; S218-R221 PolarHBondContact O-N 3.19Å; S218-K222 WeakPolarHBondContact O-CG 2.79Å; S218-K222 PolarHBondContact O-N 2.85Å; S218-K222 VanDerWaalsContact O-N 3.08Å |
| 219 | Y | 96 | Very high | 94.3 | Very high | 13 Ų | 13 | 60.2 Ų | 60.2 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.6 | -37.6 | 177.3 | -75.8 | -78.9 | 0 | 0 | 0 | 113 | M64 E65 L68 T215 M216 R221 K222 G223 | M64-Y219 HydrophobicContact CB-CD1 3.95Å; M64-Y219 HydrophobicContact CB-CD2 3.77Å; M64-Y219 HydrophobicContact CB-CE1 3.99Å; M64-Y219 HydrophobicContact CB-CE2 3.81Å; M64-Y219 HydrophobicContact CB-CG 3.87Å; M64-Y219 HydrophobicContact CG-CD2 4.11Å; M64-Y219 HydrophobicContact CG-CE2 4.28Å; E65-Y219 HydrophobicContact CG-CE1 3.65Å; E65-Y219 PolarHBondContact OE1-OH 3.15Å; L68-Y219 HydrophobicContact CD1-CD1 3.6Å; L68-Y219 HydrophobicContact CD1-CE1 4.28Å; L68-Y219 HydrophobicContact CG-CD1 4.23Å; T215-Y219 HydrophobicContact CG2-CD2 3.87Å; T215-Y219 HydrophobicContact CG2-CE2 3.69Å; T215-Y219 VanDerWaalsContact O-CD2 3.24Å; T215-Y219 WeakPolarHBondContact O-CD2 3.37Å; T215-Y219 PolarHBondContact O-N 3.36Å; T215-Y219 VanDerWaalsContact O-N 3.1Å; M216-Y219 PolarHBondContact O-N 3.42Å; Y219-R221 PolarHBondContact O-N 3.44Å; Y219-K222 HydrophobicContact CD1-CD 4.25Å; Y219-K222 WeakPolarHBondContact O-CB 3.13Å; Y219-K222 PolarHBondContact O-N 3.36Å; Y219-G223 PolarHBondContact O-N 2.79Å |
| 220 | A | 95.9 | Very high | 94.4 | Very high | 10 Ų | 10 | 60.1 Ų | 60.1 | 8% | 0.083 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61 | -44.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | H179 M216 G223 E224 | H179-A220 PolarHBondContact NE2-O 2.83Å; M216-A220 WeakPolarHBondContact O-CB 3.49Å; M216-A220 PolarHBondContact O-N 2.89Å; M216-A220 HydrophobicContact SD-CB 4.43Å; A220-G223 WeakPolarHBondContact O-CA 3.2Å; A220-G223 PolarHBondContact O-N 3.02Å; A220-G223 VanDerWaalsContact O-N 3.11Å; A220-E224 WeakPolarHBondContact O-CG 3.42Å; A220-E224 PolarHBondContact O-N 2.95Å |
| 221 | R | 96.7 | Very high | 94.4 | Very high | 171 Ų | 171 | 59.4 Ų | 59.4 | 65% | 0.645 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.3 | -42.4 | 174.2 | -74 | 173.2 | -176 | -161.6 | 1.6 | 112.4 | R217 S218 Y219 G223 E224 V225 | R217-R221 WeakPolarHBondContact O-CB 3.49Å; R217-R221 VanDerWaalsContact O-CG 3.23Å; R217-R221 WeakPolarHBondContact O-CG 3.46Å; R217-R221 PolarHBondContact O-N 2.95Å; S218-R221 PolarHBondContact O-N 3.19Å; Y219-R221 PolarHBondContact O-N 3.44Å; R221-G223 PolarHBondContact O-N 3.15Å; R221-E224 PolarHBondContact O-N 3.19Å; R221-V225 WeakPolarHBondContact O-CG2 3.49Å; R221-V225 PolarHBondContact O-N 2.83Å |
| 222 | K | 96.1 | Very high | 94.4 | Very high | 96 Ų | 96 | 59.8 Ų | 59.8 | 42% | 0.417 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58 | -40.2 | 173.6 | -69.8 | 173.7 | -174.8 | 175.9 | 0 | 111 | L68 S218 Y219 L226 | L68-K222 HydrophobicContact CD1-CB 3.87Å; L68-K222 HydrophobicContact CD1-CD 4.04Å; S218-K222 WeakPolarHBondContact O-CG 2.79Å; S218-K222 PolarHBondContact O-N 2.85Å; S218-K222 VanDerWaalsContact O-N 3.08Å; Y219-K222 HydrophobicContact CD1-CD 4.25Å; Y219-K222 WeakPolarHBondContact O-CB 3.13Å; Y219-K222 PolarHBondContact O-N 3.36Å; K222-L226 WeakPolarHBondContact O-CG 3.43Å; K222-L226 PolarHBondContact O-N 3.1Å |
| 223 | G | 95.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y219 A220 R221 L226 M227 | Y219-G223 PolarHBondContact O-N 2.79Å; A220-G223 WeakPolarHBondContact O-CA 3.2Å; A220-G223 PolarHBondContact O-N 3.02Å; A220-G223 VanDerWaalsContact O-N 3.11Å; R221-G223 PolarHBondContact O-N 3.15Å; G223-L226 PolarHBondContact O-N 3.36Å; G223-M227 PolarHBondContact O-N 2.98Å |
| 224 | E | 96 | Very high | 94.1 | Very high | 78 Ų | 78 | 59.9 Ų | 59.9 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.5 | -46 | 176.2 | -71.8 | 169.4 | 174.9 | 0 | 0 | 111.7 | H179 A220 R221 L226 M227 E228 | H179-E224 IonicContact CE1-OE1 2.73Å; H179-E224 PolarHBondContact CE1-OE1 2.99Å; A220-E224 WeakPolarHBondContact O-CG 3.42Å; A220-E224 PolarHBondContact O-N 2.95Å; R221-E224 PolarHBondContact O-N 3.19Å; E224-L226 VanDerWaalsContact C-N 3.27Å; E224-L226 PolarHBondContact O-N 3.27Å; E224-M227 WeakPolarHBondContact O-CA 3.12Å; E224-M227 WeakPolarHBondContact O-CB 3.49Å; E224-M227 PolarHBondContact O-N 2.84Å; E224-E228 WeakPolarHBondContact O-CG 3.38Å; E224-E228 PolarHBondContact O-N 2.86Å |
| 225 | V | 96.4 | Very high | 93.8 | Very high | 92 Ų | 92 | 58.9 Ų | 58.9 | 56% | 0.558 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.3 | -40.8 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | R221 M227 S229 | R221-V225 WeakPolarHBondContact O-CG2 3.49Å; R221-V225 PolarHBondContact O-N 2.83Å; V225-M227 VanDerWaalsContact C-N 3.34Å; V225-S229 VanDerWaalsContact O-CB 3.25Å; V225-S229 WeakPolarHBondContact O-CB 3.39Å; V225-S229 PolarHBondContact O-N 3.3Å |
| 226 | L | 95.2 | Very high | 93.4 | Very high | 48 Ų | 48 | 62 Ų | 62 | 25% | 0.251 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.2 | -37.3 | 175 | -70.8 | 171.1 | 0 | 0 | 0 | 112.3 | K72 Y75 K222 G223 E224 K230 | K72-L226 HydrophobicContact CG-CD1 4.12Å; Y75-L226 HydrophobicContact CE2-CB 4.28Å; K222-L226 WeakPolarHBondContact O-CG 3.43Å; K222-L226 PolarHBondContact O-N 3.1Å; G223-L226 PolarHBondContact O-N 3.36Å; E224-L226 VanDerWaalsContact C-N 3.27Å; E224-L226 PolarHBondContact O-N 3.27Å; L226-K230 WeakPolarHBondContact O-CB 3.46Å; L226-K230 VanDerWaalsContact O-CG 3.29Å; L226-K230 WeakPolarHBondContact O-CG 3.14Å; L226-K230 PolarHBondContact O-N 2.97Å; L226-K230 VanDerWaalsContact O-N 3.15Å |
| 227 | M | 94.8 | Very high | 92.1 | Very high | 25 Ų | 25 | 66.2 Ų | 66.2 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.4 | -48.6 | 176.7 | -171.6 | -134.5 | -54.7 | 0 | 0 | 111.2 | K172 C175 G223 E224 V225 K230 Q231 | K172-M227 HydrophobicContact CB-SD 4.36Å; K172-M227 HydrophobicContact CG-SD 4.38Å; C175-M227 HydrophobicContact CB-CB 4.21Å; C175-M227 HydrophobicContact CB-CE 3.65Å; C175-M227 HydrophobicContact CB-CG 4Å; C175-M227 HydrophobicContact CB-SD 4.49Å; C175-M227 WeakPolarHBondContact SG-CE 3.4Å; G223-M227 PolarHBondContact O-N 2.98Å; E224-M227 WeakPolarHBondContact O-CA 3.12Å; E224-M227 WeakPolarHBondContact O-CB 3.49Å; E224-M227 PolarHBondContact O-N 2.84Å; V225-M227 VanDerWaalsContact C-N 3.34Å; M227-K230 PolarHBondContact O-N 2.83Å; M227-Q231 WeakPolarHBondContact O-CB 3.27Å; M227-Q231 WeakPolarHBondContact O-CG 3.28Å; M227-Q231 PolarHBondContact O-N 2.88Å |
| 228 | E | 94.6 | Very high | 90.3 | Very high | 104 Ų | 104 | 63.1 Ų | 63.1 | 49% | 0.486 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 180 | -71.5 | 177.5 | 175.9 | 0 | 0 | 111.3 | E224 K230 Q231 S232 | E224-E228 WeakPolarHBondContact O-CG 3.38Å; E224-E228 PolarHBondContact O-N 2.86Å; E228-K230 VanDerWaalsContact C-N 3.32Å; E228-K230 PolarHBondContact O-N 3.39Å; E228-Q231 PolarHBondContact O-N 2.78Å; E228-Q231 VanDerWaalsContact O-N 3.15Å; E228-S232 PolarHBondContact O-N 3.05Å; E228-S232 PolarHBondContact O-OG 3.16Å |
| 229 | S | 93.4 | Very high | 88.1 | Confident | 52 Ų | 52 | 71 Ų | 71 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -54.6 | -46.9 | 174.8 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | V225 S232 E233 | V225-S229 VanDerWaalsContact O-CB 3.25Å; V225-S229 WeakPolarHBondContact O-CB 3.39Å; V225-S229 PolarHBondContact O-N 3.3Å; S229-S232 PolarHBondContact O-N 3.22Å; S229-S232 PolarHBondContact O-OG 3.35Å; S229-E233 VanDerWaalsContact O-CG 3.31Å; S229-E233 WeakPolarHBondContact O-CG 3.29Å; S229-E233 PolarHBondContact O-N 3.41Å |
| 230 | K | 91.6 | Very high | 87.7 | Confident | 64 Ų | 64 | 73.9 Ų | 73.9 | 28% | 0.278 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.4 | -38.2 | 176.9 | -73.7 | -73.2 | 161.6 | -152.5 | 0 | 113 | Y75 L226 M227 E228 E233 L234 | Y75-K230 HydrophobicContact CD2-CG 3.79Å; Y75-K230 HydrophobicContact CE2-CG 4.15Å; Y75-K230 HydrophobicContact CG-CG 4.44Å; L226-K230 WeakPolarHBondContact O-CB 3.46Å; L226-K230 VanDerWaalsContact O-CG 3.29Å; L226-K230 WeakPolarHBondContact O-CG 3.14Å; L226-K230 PolarHBondContact O-N 2.97Å; L226-K230 VanDerWaalsContact O-N 3.15Å; M227-K230 PolarHBondContact O-N 2.83Å; E228-K230 VanDerWaalsContact C-N 3.32Å; E228-K230 PolarHBondContact O-N 3.39Å; K230-E233 IonicContact NZ-OE1 3.27Å; K230-E233 IonicContact NZ-OE2 3.79Å; K230-E233 PolarHBondContact NZ-OE2 3.03Å; K230-E233 PolarHBondContact O-N 3.38Å; K230-L234 WeakPolarHBondContact O-CB 3.49Å; K230-L234 WeakPolarHBondContact O-CG 3.18Å; K230-L234 PolarHBondContact O-N 3.11Å |
| 231 | Q | 92.5 | Very high | 87.3 | Confident | 48 Ų | 48 | 77.3 Ų | 77.3 | 22% | 0.224 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.2 | -42 | 177.2 | -75.9 | 178.8 | -20.4 | 0 | 0 | 111.9 | A168 A171 M227 E228 L234 L235 | A168-Q231 HydrophobicContact CB-CG 4.26Å; A168-Q231 PolarHBondContact O-NE2 3.44Å; A168-Q231 VanDerWaalsContact O-NE2 3.1Å; A171-Q231 HydrophobicContact CB-CG 4.3Å; M227-Q231 WeakPolarHBondContact O-CB 3.27Å; M227-Q231 WeakPolarHBondContact O-CG 3.28Å; M227-Q231 PolarHBondContact O-N 2.88Å; E228-Q231 PolarHBondContact O-N 2.78Å; E228-Q231 VanDerWaalsContact O-N 3.15Å; Q231-L234 PolarHBondContact O-N 2.78Å; Q231-L235 WeakPolarHBondContact O-CB 3.39Å; Q231-L235 VanDerWaalsContact O-CG 3.31Å; Q231-L235 WeakPolarHBondContact O-CG 3.44Å; Q231-L235 PolarHBondContact O-N 3.08Å |
| 232 | S | 91.2 | Very high | 86.8 | Confident | 54 Ų | 54 | 72.1 Ų | 72.1 | 38% | 0.378 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 174.2 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | E228 S229 L234 L235 D236 | E228-S232 PolarHBondContact O-N 3.05Å; E228-S232 PolarHBondContact O-OG 3.16Å; S229-S232 PolarHBondContact O-N 3.22Å; S229-S232 PolarHBondContact O-OG 3.35Å; S232-L234 VanDerWaalsContact C-N 3.3Å; S232-L234 PolarHBondContact O-N 3.42Å; S232-L235 PolarHBondContact O-N 3.06Å; S232-D236 VanDerWaalsContact O-CB 3.31Å; S232-D236 WeakPolarHBondContact O-CB 3.41Å; S232-D236 PolarHBondContact O-N 3.09Å |
| 233 | E | 90 | Very high | 86.2 | Confident | 83 Ų | 83 | 70.6 Ų | 70.6 | 39% | 0.388 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.3 | -43.7 | 176.5 | -76.4 | 173.8 | -169.1 | 0 | 0 | 112 | S229 K230 Q237 | S229-E233 VanDerWaalsContact O-CG 3.31Å; S229-E233 WeakPolarHBondContact O-CG 3.29Å; S229-E233 PolarHBondContact O-N 3.41Å; K230-E233 IonicContact NZ-OE1 3.27Å; K230-E233 IonicContact NZ-OE2 3.79Å; K230-E233 PolarHBondContact NZ-OE2 3.03Å; K230-E233 PolarHBondContact O-N 3.38Å; E233-Q237 VanDerWaalsContact O-CG 3.28Å; E233-Q237 WeakPolarHBondContact O-CG 3.49Å |
| 234 | L | 88 | Confident | 85.6 | Confident | 5 Ų | 5 | 75 Ų | 75 | 3% | 0.026 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -70.5 | -34.5 | -179 | -68.8 | 171.7 | 0 | 0 | 0 | 112.7 | M81 R164 M167 K230 Q231 S232 | M81-L234 HydrophobicContact CG-CD2 3.91Å; M81-L234 HydrophobicContact SD-CD2 3.28Å; M81-L234 WeakPolarHBondContact SD-CD2 3.46Å; R164-L234 VanDerWaalsContact CD-O 3.31Å; R164-L234 WeakPolarHBondContact CD-O 3.04Å; M167-L234 HydrophobicContact CB-CD1 3.88Å; M167-L234 HydrophobicContact CB-CD2 4.39Å; M167-L234 HydrophobicContact SD-CD2 4.48Å; K230-L234 WeakPolarHBondContact O-CB 3.49Å; K230-L234 WeakPolarHBondContact O-CG 3.18Å; K230-L234 PolarHBondContact O-N 3.11Å; Q231-L234 PolarHBondContact O-N 2.78Å; S232-L234 VanDerWaalsContact C-N 3.3Å; S232-L234 PolarHBondContact O-N 3.42Å |
| 235 | L | 87.9 | Confident | 84.9 | Confident | 80 Ų | 80 | 74.8 Ų | 74.8 | 42% | 0.419 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -89.2 | -36.5 | -176.3 | -66.6 | 174.9 | 0 | 0 | 0 | 113.1 | E165 Q231 S232 Q237 A238 | E165-L235 HydrophobicContact CG-CD2 4.34Å; Q231-L235 WeakPolarHBondContact O-CB 3.39Å; Q231-L235 VanDerWaalsContact O-CG 3.31Å; Q231-L235 WeakPolarHBondContact O-CG 3.44Å; Q231-L235 PolarHBondContact O-N 3.08Å; S232-L235 PolarHBondContact O-N 3.06Å; L235-Q237 VanDerWaalsContact C-N 3.32Å; L235-Q237 PolarHBondContact O-N 2.91Å; L235-A238 WeakPolarHBondContact O-CB 3.31Å; L235-A238 PolarHBondContact O-N 2.96Å; L235-A238 VanDerWaalsContact O-N 3.08Å |
| 236 | D | 83.4 | Confident | 84.1 | Confident | 84 Ų | 84 | 73.6 Ų | 73.6 | 45% | 0.449 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.9 | -29.6 | -177.4 | -78.8 | -39.8 | 0 | 0 | 0 | 112.7 | S232 A238 K239 | S232-D236 VanDerWaalsContact O-CB 3.31Å; S232-D236 WeakPolarHBondContact O-CB 3.41Å; S232-D236 PolarHBondContact O-N 3.09Å; D236-A238 PolarHBondContact O-N 3.11Å; D236-K239 PolarHBondContact O-N 3.47Å; D236-K239 VanDerWaalsContact O-N 3.13Å; D236-K239 IonicContact OD1-NZ 3.49Å; D236-K239 PolarHBondContact OD1-NZ 3.46Å |
| 237 | Q | 68.2 | Low | 83.3 | Confident | 111 Ų | 111 | 75.5 Ų | 75.5 | 52% | 0.519 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -2 | 171.7 | -68.7 | 179.9 | 7.9 | 0 | 0 | 113.8 | R164 E233 L235 | R164-Q237 PolarHBondContact NH2-O 3.46Å; E233-Q237 VanDerWaalsContact O-CG 3.28Å; E233-Q237 WeakPolarHBondContact O-CG 3.49Å; L235-Q237 VanDerWaalsContact C-N 3.32Å; L235-Q237 PolarHBondContact O-N 2.91Å |
| 238 | A | 57.5 | Low | 82.3 | Confident | 50 Ų | 50 | 79.8 Ų | 79.8 | 41% | 0.413 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -13.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L235 D236 | L235-A238 WeakPolarHBondContact O-CB 3.31Å; L235-A238 PolarHBondContact O-N 2.96Å; L235-A238 VanDerWaalsContact O-N 3.08Å; D236-A238 PolarHBondContact O-N 3.11Å |
| 239 | K | 49.4 | Very low | 81.2 | Confident | 222 Ų | 222 | 77.5 Ų | 77.5 | 97% | 0.965 | 40% | 0.402 | S | S | * | . | trans | -80.2 | 0 | 172.2 | -63.3 | 171.5 | -175.2 | 151 | 0 | 110 | D236 | D236-K239 PolarHBondContact O-N 3.47Å; D236-K239 VanDerWaalsContact O-N 3.13Å; D236-K239 IonicContact OD1-NZ 3.49Å; D236-K239 PolarHBondContact OD1-NZ 3.46Å |
Retrieved 239 of 239 residues in 100.2 ms
(Link to these results)