| 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 | 25.1 | Very low | 27.1 | Very low | 247 Ų | 247 | 135.5 Ų | 135.5 | 100% | 1.217 | 73% | 0.728 | S | S | * | * | 0 | 134.7 | 0 | -80.8 | 177.4 | 166.5 | 0 | 0 | 108.5 | |||||
| 2 | T | 27.7 | Very low | 27.3 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 87% | 0.871 | 74% | 0.738 | S | S | * | * | trans | -89.6 | 114.9 | -174.9 | 46.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 3 | T | 27.9 | Very low | 27.2 | Very low | 99 Ų | 99 | 138 Ų | 138 | 61% | 0.607 | 74% | 0.74 | S | S | * | * | trans | -143 | 113.2 | 159.2 | 51.5 | 0 | 0 | 0 | 0 | 110 | R149 | T3-R149 PolarHBondContact OG1-NH1 3.25Å; T3-R149 PolarHBondContact OG1-NH2 3.13Å | ||
| 4 | S | 27.8 | Very low | 27.2 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | trans | -72 | 145.5 | 173.7 | 43.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 5 | W | 29.3 | Very low | 27.2 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 44% | 0.436 | 75% | 0.749 | S | S | . | * | trans | -82.8 | 128.1 | 153 | -76 | 69.6 | 0 | 0 | 0 | 107 | V60 R149 Y440 | W5-V60 HydrophobicContact CZ3-CG2 4.13Å; W5-R149 HydrophobicContact CZ2-CG 4.15Å; W5-Y440 PolarHBondContact O-OH 2.84Å | ||
| 6 | V | 27 | Very low | 27.1 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 61% | 0.606 | 74% | 0.744 | S | S | * | * | trans | -130.2 | 106.8 | 171.8 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | F8 | V6-F8 PolarHBondContact O-N 2.9Š| ||
| 7 | P | 28.3 | Very low | 27.3 | Very low | 94 Ų | 94 | 138.5 Ų | 138.5 | 61% | 0.61 | 75% | 0.75 | S | S | * | * | trans | -74.3 | 115.8 | 172.7 | 29.3 | -31.3 | 0 | 0 | 0 | 109.5 | H9 | P7-H9 PolarHBondContact O-N 2.99Š| ||
| 8 | F | 24.3 | Very low | 27.4 | Very low | 188 Ų | 188 | 139.8 Ų | 139.8 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | -70.3 | 93.3 | 166.6 | -91.1 | -89.6 | 0 | 0 | 0 | 109.5 | V6 L10 | V6-F8 PolarHBondContact O-N 2.9Å; F8-L10 PolarHBondContact O-N 3Å | ||
| 9 | H | 28.3 | Very low | 27.7 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 83% | 0.833 | 76% | 0.759 | S | S | * | * | trans | -67.9 | 97.1 | 162.3 | -97.9 | -65.4 | 0 | 0 | 0 | 109.1 | P7 | P7-H9 PolarHBondContact O-N 2.99Š| ||
| 10 | L | 25.7 | Very low | 28.2 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 64% | 0.644 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 142.6 | 155.9 | -79.9 | 93.8 | 0 | 0 | 0 | 109.1 | F8 N12 | F8-L10 PolarHBondContact O-N 3Å; L10-N12 PolarHBondContact O-N 3.43Å |
| 11 | P | 27 | Very low | 28.9 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 128.7 | 163.4 | 29.6 | -32.3 | 0 | 0 | 0 | 108.7 | L13 | P11-L13 PolarHBondContact O-N 3.04Š|
| 12 | N | 29.4 | Very low | 30.3 | Very low | 159 Ų | 159 | 130 Ų | 130 | 85% | 0.85 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 123.3 | 178.5 | -78.6 | -20.2 | 0 | 0 | 0 | 110.5 | L10 | L10-N12 PolarHBondContact O-N 3.43Š|
| 13 | L | 26.2 | Very low | 32.2 | Very low | 145 Ų | 145 | 125.7 Ų | 125.7 | 76% | 0.759 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -62 | 140.3 | 164.4 | -83.2 | 80.4 | 0 | 0 | 0 | 109.3 | P11 N15 | P11-L13 PolarHBondContact O-N 3.04Å; L13-N15 PolarHBondContact O-N 3.21Å |
| 14 | T | 26.2 | Very low | 34.5 | Very low | 144 Ų | 144 | 121.3 Ų | 121.3 | 88% | 0.883 | 65% | 0.653 | S | S | * | * | trans | -73.3 | 73.2 | 179.6 | 51.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 15 | N | 27.4 | Very low | 36.9 | Very low | 137 Ų | 137 | 116.9 Ų | 116.9 | 73% | 0.733 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 138.7 | 166.8 | -78.9 | -24.2 | 0 | 0 | 0 | 110.3 | L13 C17 | L13-N15 PolarHBondContact O-N 3.21Å; N15-C17 PolarHBondContact O-N 3.44Å |
| 16 | K | 26.5 | Very low | 39.5 | Very low | 155 Ų | 155 | 113.4 Ų | 113.4 | 67% | 0.674 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 124.4 | -173.9 | -58.1 | 179.6 | -171.1 | 178.3 | 0 | 110.5 | D1121 | K16-D1121 VanDerWaalsContact NZ-CG 3.27Å; K16-D1121 IonicContact NZ-OD2 2.96Å; K16-D1121 PolarHBondContact NZ-OD2 3.44Å |
| 17 | C | 30.8 | Very low | 42.2 | Very low | 125 Ų | 125 | 108.8 Ų | 108.8 | 85% | 0.845 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 117.9 | 172.2 | -67.8 | 0 | 0 | 0 | 0 | 109.7 | N15 | N15-C17 PolarHBondContact O-N 3.44Š|
| 18 | E | 28.2 | Very low | 44.9 | Very low | 161 Ų | 161 | 106.9 Ų | 106.9 | 75% | 0.752 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 142.2 | 157.8 | -62.3 | -175.2 | 130.8 | 0 | 0 | 109 | N20 | E18-N20 VanDerWaalsContact C-N 3.35Å; E18-N20 PolarHBondContact O-N 3.1Å; E18-N20 PolarHBondContact O-ND2 2.64Å |
| 19 | Q | 32.4 | Very low | 47.7 | Very low | 198 Ų | 198 | 98 Ų | 98 | 93% | 0.925 | 53% | 0.525 | S | S | * | . | trans | -66.5 | 88.9 | -179.1 | -72.6 | 174.3 | -46.5 | 0 | 0 | 111.4 | ||||
| 20 | N | 38 | Very low | 50.3 | Low | 120 Ų | 120 | 92.1 Ų | 92.1 | 64% | 0.642 | 50% | 0.497 | S | S | * | . | trans | -106.1 | 136.8 | 165.8 | -69.9 | -82.1 | 0 | 0 | 0 | 108.6 | E18 G22 | E18-N20 VanDerWaalsContact C-N 3.35Å; E18-N20 PolarHBondContact O-N 3.1Å; E18-N20 PolarHBondContact O-ND2 2.64Å; N20-G22 PolarHBondContact O-N 3.34Å | ||
| 21 | C | 42.8 | Very low | 53.1 | Low | 115 Ų | 115 | 87.4 Ų | 87.4 | 78% | 0.777 | 47% | 0.472 | S | S | * | . | trans | -66.7 | 133.3 | -178.9 | -62.7 | 0 | 0 | 0 | 0 | 110.5 | E23 | C21-E23 PolarHBondContact O-N 3.01Š| ||
| 22 | G | 54.3 | Low | 55.8 | Low | 27 Ų | 27 | 82.2 Ų | 82.2 | 28% | 0.278 | 44% | 0.438 | S | S | . | . | trans | -78.7 | 111.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | N20 N24 S92 | N20-G22 PolarHBondContact O-N 3.34Å; G22-N24 PolarHBondContact O-N 3.24Å; G22-S92 CarbonylContact C-O 3.15Å; G22-S92 WeakPolarHBondContact CA-O 3.29Å | ||
| 23 | E | 67.8 | Low | 58.4 | Low | 52 Ų | 52 | 76.2 Ų | 76.2 | 24% | 0.243 | 40% | 0.404 | C | S | . | . | trans | -72.2 | 127.1 | -179.6 | -59.1 | 179.4 | 162.4 | 0 | 0 | 111.1 | C21 L25 S92 V95 L176 | C21-E23 PolarHBondContact O-N 3.01Å; E23-L25 HydrophobicContact CB-CD2 4.4Å; E23-S92 PolarHBondContact O-N 2.9Å; E23-V95 HydrophobicContact CB-CG2 3.92Å; E23-V95 WeakPolarHBondContact OE2-CB 3.45Å; E23-L176 HydrophobicContact CB-CD1 4.31Å; E23-L176 HydrophobicContact CG-CD1 4.17Å | ||
| 24 | N | 76.7 | Confident | 61 | Low | 7 Ų | 7 | 69.3 Ų | 69.3 | 4% | 0.037 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 126.4 | 172.8 | -62.9 | -63.7 | 0 | 0 | 0 | 109.6 | G22 R91 L177 L180 E181 | G22-N24 PolarHBondContact O-N 3.24Å; N24-R91 WeakPolarHBondContact OD1-CG 3.37Å; N24-L177 PolarHBondContact O-N 3.1Å; N24-L180 HydrophobicContact CB-CB 3.66Å; N24-L180 HydrophobicContact CB-CD1 4.34Å; N24-E181 WeakPolarHBondContact ND2-CG 3.29Å |
| 25 | L | 79.2 | Confident | 63.2 | Low | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 138.3 | -169.7 | -54.1 | 176.4 | 0 | 0 | 0 | 111.9 | E23 Y89 F90 V95 F101 I126 I130 L174 L176 | E23-L25 HydrophobicContact CB-CD2 4.4Å; L25-Y89 WeakPolarHBondContact O-CA 3.2Å; L25-F90 HydrophobicContact CB-CB 4.48Å; L25-F90 HydrophobicContact CD1-CD1 4.31Å; L25-F90 PolarHBondContact N-O 3.2Å; L25-F90 PolarHBondContact O-N 2.93Å; L25-V95 HydrophobicContact CD1-CG2 4.42Å; L25-F101 HydrophobicContact CD1-CZ 4.09Å; L25-I126 HydrophobicContact CD1-CD1 4.41Å; L25-I126 HydrophobicContact CD1-CG2 3.54Å; L25-I130 HydrophobicContact CD2-CD1 3.63Å; L25-I130 HydrophobicContact CD2-CG1 4.42Å; L25-L174 HydrophobicContact CB-CD1 4.22Å; L25-L176 HydrophobicContact CD2-CB 4.39Å; L25-L176 HydrophobicContact CD2-CG 4.18Å |
| 26 | R | 82.7 | Confident | 65.3 | Low | 41 Ų | 41 | 62.7 Ų | 62.7 | 16% | 0.155 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 112.8 | 170.4 | -179.1 | 179.6 | 178.7 | 170.7 | -1.7 | 108.5 | T87 Y89 L174 D175 D209 | R26-T87 HydrophobicContact CG-CG2 3.62Å; R26-Y89 HydrophobicContact CB-CD1 4.23Å; R26-Y89 HydrophobicContact CB-CE1 4.2Å; R26-Y89 HydrophobicContact CG-CD1 4.3Å; R26-Y89 HydrophobicContact CG-CE1 3.9Å; R26-L174 WeakPolarHBondContact O-CA 3.36Å; R26-D175 PolarHBondContact N-O 3.32Å; R26-D175 PolarHBondContact O-N 2.63Å; R26-D209 IonicContact CZ-OD1 2.72Å; R26-D209 IonicContact NH1-OD1 3.81Å; R26-D209 PolarHBondContact NH1-OD1 3.38Å; R26-D209 IonicContact NH2-OD1 3.32Å; R26-D209 PolarHBondContact NH2-OD1 3.19Å |
| 27 | L | 85.3 | Confident | 66.8 | Low | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 109.4 | 174.7 | 172 | 64.3 | 0 | 0 | 0 | 108.8 | I29 T87 L88 F101 F103 Y172 L174 F192 | L27-I29 HydrophobicContact CD1-CG1 4.37Å; L27-I29 HydrophobicContact CD2-CD1 4.49Å; L27-I29 HydrophobicContact CG-CG1 4.22Å; L27-T87 WeakPolarHBondContact O-CA 3.39Å; L27-L88 HydrophobicContact CB-CB 4.46Å; L27-L88 PolarHBondContact N-O 3.15Å; L27-L88 PolarHBondContact O-N 3.12Å; L27-F101 HydrophobicContact CD2-CD2 4.09Å; L27-F101 HydrophobicContact CD2-CE2 4.26Å; L27-F103 HydrophobicContact CD1-CZ 4.25Å; L27-F103 HydrophobicContact CD2-CE1 4.34Å; L27-F103 HydrophobicContact CD2-CZ 4Å; L27-Y172 HydrophobicContact CD1-CD2 4.15Å; L27-Y172 HydrophobicContact CD1-CG 4.42Å; L27-L174 HydrophobicContact CB-CD1 4.08Å; L27-L174 HydrophobicContact CD1-CD1 4.36Å; L27-F192 HydrophobicContact CD2-CE1 3.93Å; L27-F192 HydrophobicContact CD2-CZ 4.44Å |
| 28 | E | 84.2 | Confident | 68 | Low | 55 Ų | 55 | 64.1 Ų | 64.1 | 26% | 0.257 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 118.6 | 177.3 | -176.4 | -147.2 | 167.5 | 0 | 0 | 109.1 | K30 Y172 S173 | E28-K30 WeakPolarHBondContact OE1-CE 3.23Å; E28-K30 WeakPolarHBondContact OE2-CE 3.47Å; E28-K30 IonicContact OE2-NZ 3.91Å; E28-K30 PolarHBondContact OE2-NZ 3.15Å; E28-Y172 CarbonylContact O-C 3.57Å; E28-Y172 WeakPolarHBondContact O-CA 3.45Å; E28-Y172 WeakPolarHBondContact O-CB 3.24Å; E28-S173 PolarHBondContact N-O 2.85Å; E28-S173 PolarHBondContact O-N 2.81Å; E28-S173 WeakPolarHBondContact OE2-CB 3.49Å; E28-S173 PolarHBondContact OE2-OG 2.82Å |
| 29 | I | 83 | Confident | 69.2 | Low | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 113.5 | 179.5 | -56.8 | 168.8 | 0 | 0 | 0 | 109.3 | L27 F67 L84 R85 Q86 F103 I170 | L27-I29 HydrophobicContact CD1-CG1 4.37Å; L27-I29 HydrophobicContact CD2-CD1 4.49Å; L27-I29 HydrophobicContact CG-CG1 4.22Å; I29-F67 HydrophobicContact CD1-CE1 3.69Å; I29-F67 HydrophobicContact CD1-CE2 3.87Å; I29-F67 HydrophobicContact CD1-CZ 3.19Å; I29-L84 HydrophobicContact CB-CB 4.43Å; I29-L84 HydrophobicContact CG2-CB 4.04Å; I29-L84 HydrophobicContact CG2-CD1 3.63Å; I29-L84 HydrophobicContact CG2-CG 4.47Å; I29-R85 WeakPolarHBondContact O-CA 3.26Å; I29-R85 PolarHBondContact O-N 3.07Å; I29-Q86 PolarHBondContact N-O 3.24Å; I29-F103 HydrophobicContact CD1-CE1 3.72Å; I29-F103 HydrophobicContact CG1-CE1 4.43Å; I29-I170 HydrophobicContact CG2-CD1 3.91Å; I29-I170 HydrophobicContact CG2-CG1 4.08Å |
| 30 | K | 82.5 | Confident | 70.2 | Confident | 58 Ų | 58 | 56.1 Ų | 56.1 | 25% | 0.252 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | -57.4 | -171.6 | -66.3 | -178.5 | 170.2 | 165.9 | 0 | 110.5 | E28 L84 Y171 S173 | E28-K30 WeakPolarHBondContact OE1-CE 3.23Å; E28-K30 WeakPolarHBondContact OE2-CE 3.47Å; E28-K30 IonicContact OE2-NZ 3.91Å; E28-K30 PolarHBondContact OE2-NZ 3.15Å; K30-L84 PolarHBondContact O-N 2.82Å; K30-Y171 PolarHBondContact N-O 3.11Å; K30-S173 WeakPolarHBondContact CE-OG 3.33Å; K30-S173 PolarHBondContact NZ-OG 2.93Å |
| 31 | H | 84 | Confident | 70.9 | Confident | 24 Ų | 24 | 54.8 Ų | 54.8 | 11% | 0.111 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 163 | -178.3 | 55.1 | -66.2 | 0 | 0 | 0 | 111.7 | E33 R81 F82 L83 Y171 | H31-E33 IonicContact CD2-OE1 2.94Å; H31-R81 HydrophobicContact CB-CG 4.41Å; H31-R81 PolarHBondContact CD2-NH1 3.5Å; H31-R81 PolarHBondContact CD2-NH2 2.86Å; H31-R81 VanDerWaalsContact CD2-NH2 3.32Å; H31-R81 PolarHBondContact CE1-NH2 3.17Å; H31-R81 VanDerWaalsContact NE2-CZ 3.26Å; H31-R81 PolarHBondContact NE2-NH1 2.92Å; H31-R81 PolarHBondContact NE2-NH2 2.78Å; H31-R81 VanDerWaalsContact NE2-NH2 3.16Å; H31-F82 CarbonylContact C-O 3.57Å; H31-F82 VanDerWaalsContact CA-O 3.29Å; H31-F82 WeakPolarHBondContact CA-O 3.39Å; H31-F82 WeakPolarHBondContact CB-O 3.39Å; H31-L83 HydrophobicContact CB-CD1 4.47Å; H31-Y171 AromaticContact CD2-CD2 3.51Å; H31-Y171 AromaticContact CD2-CE2 3.9Å; H31-Y171 AromaticContact CE1-CD2 3.74Å; H31-Y171 AromaticContact CE1-CG 3.55Å; H31-Y171 PolarHBondContact N-O 3.22Å; H31-Y171 AromaticContact NE2-CD2 3.32Å; H31-Y171 VanDerWaalsContact NE2-CD2 3.32Å; H31-Y171 WeakPolarHBondContact NE2-CD2 3.33Å; H31-Y171 AromaticContact NE2-CE2 3.62Å; H31-Y171 AromaticContact NE2-CG 3.58Å; H31-Y171 PolarHBondContact O-N 3.18Å |
| 32 | L | 84.9 | Confident | 71.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.6 | 171.8 | 174.6 | 77.9 | 0 | 0 | 0 | 108 | L70 F82 L105 F143 I170 | L32-L70 HydrophobicContact CD2-CD1 3.78Å; L32-F82 HydrophobicContact CB-CB 4.31Å; L32-F82 HydrophobicContact CD2-CD2 3.96Å; L32-F82 HydrophobicContact CD2-CE2 4.47Å; L32-F82 HydrophobicContact CG-CD2 4.32Å; L32-F82 PolarHBondContact N-O 2.98Å; L32-F82 PolarHBondContact O-N 3.36Å; L32-L105 HydrophobicContact CD2-CD1 3.77Å; L32-L105 HydrophobicContact CD2-CD2 4.27Å; L32-F143 HydrophobicContact CD1-CD2 4.34Å; L32-F143 HydrophobicContact CD1-CE2 3.38Å; L32-F143 HydrophobicContact CD1-CZ 3.79Å; L32-I170 HydrophobicContact CD1-CB 4Å |
| 33 | E | 84.6 | Confident | 71.8 | Confident | 32 Ų | 32 | 58.3 Ų | 58.3 | 15% | 0.15 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.1 | 174.9 | -64.2 | -172.8 | 145.9 | 0 | 0 | 109.5 | H31 R81 H168 C169 Y171 | H31-E33 IonicContact CD2-OE1 2.94Å; E33-R81 HydrophobicContact CG-CG 4.26Å; E33-R81 IonicContact OE1-CZ 2.64Å; E33-R81 IonicContact OE1-NH1 3.71Å; E33-R81 PolarHBondContact OE1-NH1 2.98Å; E33-H168 WeakPolarHBondContact O-CA 3.24Å; E33-C169 PolarHBondContact N-O 3.08Å; E33-C169 PolarHBondContact O-N 3.45Å; E33-Y171 HydrophobicContact CB-CE2 4.27Å; E33-Y171 HydrophobicContact CG-CD2 4.48Å; E33-Y171 HydrophobicContact CG-CE2 3.81Å; E33-Y171 VanDerWaalsContact OE2-CE2 3.24Å; E33-Y171 WeakPolarHBondContact OE2-CE2 3.48Å; E33-Y171 PolarHBondContact OE2-OH 3.28Å |
| 34 | C | 79.2 | Confident | 71.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 126.7 | -177.4 | -61.2 | 0 | 0 | 0 | 0 | 110.1 | F36 V80 F82 H168 | C34-F36 HydrophobicContact CB-CD2 4.37Å; C34-F36 HydrophobicContact CB-CE1 3.99Å; C34-F36 HydrophobicContact CB-CE2 3.55Å; C34-F36 HydrophobicContact CB-CZ 3.31Å; C34-V80 PolarHBondContact N-O 2.91Å; C34-V80 PolarHBondContact O-N 3.44Å; C34-F82 HydrophobicContact CB-CE2 4.04Å; C34-H168 PolarHBondContact SG-CD2 2.85Å |
| 35 | Y | 73.6 | Confident | 71.7 | Confident | 109 Ų | 109 | 59.5 Ų | 59.5 | 43% | 0.427 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 117.1 | 176.8 | -68.6 | -111.8 | 0 | 0 | 0 | 109.6 | G78 C79 N167 | Y35-G78 WeakPolarHBondContact CA-O 3.1Å; Y35-C79 HydrophobicContact CD1-CB 3.88Å; Y35-C79 HydrophobicContact CD2-CB 4.24Å; Y35-C79 HydrophobicContact CE1-CB 3.62Å; Y35-C79 HydrophobicContact CE2-CB 4.01Å; Y35-C79 VanDerWaalsContact CE2-SG 3.6Å; Y35-C79 HydrophobicContact CG-CB 4.2Å; Y35-N167 WeakPolarHBondContact CD2-O 3.34Å; Y35-N167 PolarHBondContact N-O 2.64Å |
| 36 | F | 70.3 | Confident | 71.7 | Confident | 34 Ų | 34 | 59.7 Ų | 59.7 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | trans | -111.6 | 146.7 | -179.6 | -56.8 | -64.2 | 0 | 0 | 0 | 110.6 | C34 D40 Y46 G78 V80 F82 H168 | C34-F36 HydrophobicContact CB-CD2 4.37Å; C34-F36 HydrophobicContact CB-CE1 3.99Å; C34-F36 HydrophobicContact CB-CE2 3.55Å; C34-F36 HydrophobicContact CB-CZ 3.31Å; F36-D40 HydrophobicContact CB-CB 4.4Å; F36-D40 WeakPolarHBondContact CD1-OD2 3.43Å; F36-Y46 HydrophobicContact CD1-CE1 4.24Å; F36-Y46 HydrophobicContact CE1-CD1 4.24Å; F36-Y46 AromaticContact CE1-CE1 3.32Å; F36-Y46 HydrophobicContact CE1-CE1 3.32Å; F36-Y46 AromaticContact CE1-CZ 3.62Å; F36-Y46 HydrophobicContact CE2-CE1 4.2Å; F36-Y46 HydrophobicContact CE2-CE2 4.36Å; F36-Y46 AromaticContact CE2-CZ 3.93Å; F36-Y46 AromaticContact CZ-CD1 3.89Å; F36-Y46 HydrophobicContact CZ-CD1 3.89Å; F36-Y46 AromaticContact CZ-CE1 3.28Å; F36-Y46 HydrophobicContact CZ-CE1 3.28Å; F36-Y46 HydrophobicContact CZ-CE2 4.19Å; F36-Y46 AromaticContact CZ-CZ 3.45Å; F36-Y46 VanDerWaalsContact CZ-CZ 3.45Å; F36-G78 PolarHBondContact N-O 3.39Å; F36-G78 VanDerWaalsContact N-O 3.12Å; F36-V80 HydrophobicContact CD2-CB 3.95Å; F36-V80 HydrophobicContact CD2-CG2 3.7Å; F36-V80 HydrophobicContact CE2-CB 3.86Å; F36-V80 HydrophobicContact CE2-CG1 4.36Å; F36-V80 HydrophobicContact CE2-CG2 4.08Å; F36-F82 HydrophobicContact CE2-CE2 4Å; F36-F82 HydrophobicContact CE2-CZ 4.03Å; F36-F82 HydrophobicContact CZ-CE2 4.19Å; F36-F82 HydrophobicContact CZ-CZ 4.28Å; F36-H168 AromaticContact CE1-NE2 3.62Å | ||
| 37 | T | 59.5 | Low | 71.7 | Confident | 111 Ų | 111 | 58.9 Ų | 58.9 | 68% | 0.681 | 31% | 0.306 | S | S | * | . | trans | -81.8 | 158.3 | 173.5 | 55.2 | 0 | 0 | 0 | 0 | 110.7 | N39 D40 | T37-N39 PolarHBondContact O-N 2.91Å; T37-D40 PolarHBondContact O-N 3.3Å; T37-D40 VanDerWaalsContact O-N 3.13Å | ||
| 38 | E | 54.1 | Low | 71.7 | Confident | 199 Ų | 199 | 58.7 Ų | 58.7 | 93% | 0.93 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -6.3 | -168.1 | -59.6 | -176 | 133 | 0 | 0 | 115.3 | ||
| 39 | N | 53.5 | Low | 71.8 | Confident | 145 Ų | 145 | 57.6 Ų | 57.6 | 78% | 0.775 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -9.9 | 176.3 | -70.9 | -12.5 | 0 | 0 | 0 | 114.5 | T37 T41 | T37-N39 PolarHBondContact O-N 2.91Å; N39-T41 PolarHBondContact O-N 3.03Å |
| 40 | D | 54.6 | Low | 72 | Confident | 45 Ų | 45 | 57.6 Ų | 57.6 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | trans | -76 | 88.4 | 173.5 | -88.5 | -9.9 | 0 | 0 | 0 | 109.5 | F36 T37 I44 Y46 K107 | F36-D40 HydrophobicContact CB-CB 4.4Å; F36-D40 WeakPolarHBondContact CD1-OD2 3.43Å; T37-D40 PolarHBondContact O-N 3.3Å; T37-D40 VanDerWaalsContact O-N 3.13Å; D40-I44 HydrophobicContact CB-CD1 4.02Å; D40-I44 VanDerWaalsContact OD1-CD1 3.24Å; D40-I44 WeakPolarHBondContact OD1-CD1 3.35Å; D40-Y46 PolarHBondContact OD2-OH 3.42Å; D40-K107 IonicContact OD1-NZ 3.53Å | ||
| 41 | T | 51.9 | Low | 72.2 | Confident | 93 Ų | 93 | 55.4 Ų | 55.4 | 57% | 0.571 | 29% | 0.29 | S | S | * | . | trans | -68.4 | 172.1 | 179.9 | 54.7 | 0 | 0 | 0 | 0 | 113.1 | N39 D43 | N39-T41 PolarHBondContact O-N 3.03Å; T41-D43 PolarHBondContact O-N 2.82Å | ||
| 42 | C | 56 | Low | 72.2 | Confident | 122 Ų | 122 | 54.2 Ų | 54.2 | 82% | 0.824 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -19.3 | -166 | -65.5 | 0 | 0 | 0 | 0 | 116.3 | I44 | C42-I44 PolarHBondContact O-N 2.82Š|
| 43 | D | 60.7 | Low | 72.1 | Confident | 94 Ų | 94 | 54.5 Ų | 54.5 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 2 | -167.7 | -59.3 | -43.6 | 0 | 0 | 0 | 115 | T41 S110 | T41-D43 PolarHBondContact O-N 2.82Å; D43-S110 WeakPolarHBondContact O-CB 3.47Å; D43-S110 PolarHBondContact O-N 2.86Å; D43-S110 VanDerWaalsContact O-N 3.08Å; D43-S110 PolarHBondContact O-OG 2.95Å |
| 44 | I | 67.5 | Low | 72 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 118.2 | 179.8 | -55 | 177.4 | 0 | 0 | 0 | 110.8 | D40 C42 Y46 K72 K107 | D40-I44 HydrophobicContact CB-CD1 4.02Å; D40-I44 VanDerWaalsContact OD1-CD1 3.24Å; D40-I44 WeakPolarHBondContact OD1-CD1 3.35Å; C42-I44 PolarHBondContact O-N 2.82Å; I44-Y46 HydrophobicContact CB-CE2 4.21Å; I44-Y46 HydrophobicContact CG2-CD2 4.38Å; I44-Y46 HydrophobicContact CG2-CE1 4.17Å; I44-Y46 HydrophobicContact CG2-CE2 3.75Å; I44-Y46 WeakPolarHBondContact O-CE2 3.24Å; I44-K72 PolarHBondContact O-NZ 2.95Å; I44-K107 HydrophobicContact CG2-CB 3.78Å; I44-K107 HydrophobicContact CG2-CD 3.9Å; I44-K107 HydrophobicContact CG2-CG 4.42Å |
| 45 | E | 74.4 | Confident | 71.9 | Confident | 61 Ų | 61 | 55.2 Ų | 55.2 | 29% | 0.285 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 145.8 | 172.1 | -54.1 | -166.3 | 155.3 | 0 | 0 | 110.2 | K69 K107 C108 | E45-K69 HydrophobicContact CG-CD 4.35Å; E45-K69 VanDerWaalsContact OE1-CE 3.23Å; E45-K69 WeakPolarHBondContact OE1-CE 3.38Å; E45-K69 IonicContact OE1-NZ 3.92Å; E45-K69 PolarHBondContact OE1-NZ 2.95Å; E45-K107 CarbonylContact O-C 3.59Å; E45-K107 VanDerWaalsContact O-CA 3.24Å; E45-K107 WeakPolarHBondContact O-CA 3.46Å; E45-K107 WeakPolarHBondContact O-CB 3.27Å; E45-C108 PolarHBondContact N-O 3.06Å; E45-C108 PolarHBondContact O-N 3.45Å |
| 46 | Y | 80 | Confident | 72.1 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.1 | 179.7 | -58.9 | -98.1 | 0 | 0 | 0 | 108.8 | F36 D40 I44 L70 F82 T106 K107 I119 | F36-Y46 HydrophobicContact CD1-CE1 4.24Å; F36-Y46 HydrophobicContact CE1-CD1 4.24Å; F36-Y46 AromaticContact CE1-CE1 3.32Å; F36-Y46 HydrophobicContact CE1-CE1 3.32Å; F36-Y46 AromaticContact CE1-CZ 3.62Å; F36-Y46 HydrophobicContact CE2-CE1 4.2Å; F36-Y46 HydrophobicContact CE2-CE2 4.36Å; F36-Y46 AromaticContact CE2-CZ 3.93Å; F36-Y46 AromaticContact CZ-CD1 3.89Å; F36-Y46 HydrophobicContact CZ-CD1 3.89Å; F36-Y46 AromaticContact CZ-CE1 3.28Å; F36-Y46 HydrophobicContact CZ-CE1 3.28Å; F36-Y46 HydrophobicContact CZ-CE2 4.19Å; F36-Y46 AromaticContact CZ-CZ 3.45Å; F36-Y46 VanDerWaalsContact CZ-CZ 3.45Å; D40-Y46 PolarHBondContact OD2-OH 3.42Å; I44-Y46 HydrophobicContact CB-CE2 4.21Å; I44-Y46 HydrophobicContact CG2-CD2 4.38Å; I44-Y46 HydrophobicContact CG2-CE1 4.17Å; I44-Y46 HydrophobicContact CG2-CE2 3.75Å; I44-Y46 WeakPolarHBondContact O-CE2 3.24Å; Y46-L70 WeakPolarHBondContact O-CB 3.1Å; Y46-L70 WeakPolarHBondContact O-CG 3.09Å; Y46-L70 PolarHBondContact O-N 2.9Å; Y46-F82 HydrophobicContact CD2-CE1 4.28Å; Y46-F82 AromaticContact CD2-CZ 3.9Å; Y46-F82 HydrophobicContact CD2-CZ 3.9Å; Y46-F82 HydrophobicContact CE2-CZ 4.47Å; Y46-F82 HydrophobicContact CG-CZ 4.03Å; Y46-T106 WeakPolarHBondContact CA-O 3.49Å; Y46-K107 HydrophobicContact CD1-CB 4.07Å; Y46-K107 HydrophobicContact CE1-CB 4.18Å; Y46-I119 HydrophobicContact CD1-CD1 3.61Å; Y46-I119 HydrophobicContact CE1-CD1 3.66Å |
| 47 | N | 82.2 | Confident | 72.3 | Confident | 24 Ų | 24 | 55.6 Ų | 55.6 | 13% | 0.128 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 141.7 | 175.9 | -72.4 | 44 | 0 | 0 | 0 | 109.4 | F49 T106 | N47-F49 HydrophobicContact CB-CE2 4.04Å; N47-F49 HydrophobicContact CB-CZ 4.23Å; N47-T106 PolarHBondContact N-O 2.87Å; N47-T106 PolarHBondContact O-N 2.9Å |
| 48 | L | 85.1 | Confident | 73.1 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 140.3 | 172.5 | -176.6 | 69.8 | 0 | 0 | 0 | 109.3 | F67 L70 L84 F103 F143 I170 | L48-F67 HydrophobicContact CB-CB 4.28Å; L48-F67 HydrophobicContact CB-CD2 3.83Å; L48-F67 HydrophobicContact CB-CG 4.42Å; L48-F67 HydrophobicContact CD2-CD2 3.69Å; L48-F67 HydrophobicContact CD2-CE2 3.97Å; L48-F67 HydrophobicContact CD2-CG 4.37Å; L48-F67 HydrophobicContact CG-CD2 3.68Å; L48-F67 HydrophobicContact CG-CE2 4.14Å; L48-F67 WeakPolarHBondContact O-CD2 3.36Å; L48-F67 PolarHBondContact O-N 2.86Å; L48-L70 HydrophobicContact CB-CD1 4.17Å; L48-L70 HydrophobicContact CB-CD2 4.16Å; L48-L84 HydrophobicContact CD2-CD1 3.62Å; L48-F103 HydrophobicContact CD1-CB 4.36Å; L48-F143 HydrophobicContact CD1-CE1 4.45Å; L48-F143 HydrophobicContact CD1-CZ 4.09Å; L48-I170 HydrophobicContact CD2-CD1 3.99Å |
| 49 | F | 86 | Confident | 73.9 | Confident | 32 Ų | 32 | 47 Ų | 47 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 150 | 171.2 | -58 | -87.6 | 0 | 0 | 0 | 110.7 | N47 I64 W65 D66 F103 V104 T106 | N47-F49 HydrophobicContact CB-CE2 4.04Å; N47-F49 HydrophobicContact CB-CZ 4.23Å; F49-I64 HydrophobicContact CB-CG2 3.84Å; F49-I64 HydrophobicContact CD1-CG2 3.72Å; F49-I64 HydrophobicContact CG-CG2 4.16Å; F49-W65 CarbonylContact C-O 3.03Å; F49-W65 VanDerWaalsContact CA-O 3.24Å; F49-W65 WeakPolarHBondContact CA-O 3.35Å; F49-D66 HydrophobicContact CD1-CB 3.77Å; F49-D66 HydrophobicContact CE1-CB 3.65Å; F49-D66 VanDerWaalsContact CE1-OD2 3.31Å; F49-D66 WeakPolarHBondContact CE1-OD2 3.4Å; F49-F103 CarbonylContact O-C 3.54Å; F49-F103 VanDerWaalsContact O-CA 3.27Å; F49-F103 WeakPolarHBondContact O-CA 3.48Å; F49-V104 HydrophobicContact CB-CB 4.49Å; F49-V104 PolarHBondContact N-O 2.89Å; F49-V104 PolarHBondContact O-N 2.96Å; F49-T106 HydrophobicContact CD2-CG2 4.12Å; F49-T106 HydrophobicContact CE2-CG2 3.82Å |
| 50 | V | 87.3 | Confident | 74.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 141.1 | 165.5 | 66.8 | 0 | 0 | 0 | 0 | 112 | W65 F67 L88 V102 F103 F192 | V50-W65 HydrophobicContact CG1-CB 3.86Å; V50-W65 HydrophobicContact CG1-CG 4.5Å; V50-W65 PolarHBondContact N-O 3.17Å; V50-W65 PolarHBondContact O-N 3.37Å; V50-F67 HydrophobicContact CB-CE2 4.02Å; V50-F67 HydrophobicContact CB-CZ 4.48Å; V50-F67 HydrophobicContact CG1-CE2 3.6Å; V50-F67 HydrophobicContact CG1-CZ 3.69Å; V50-L88 HydrophobicContact CG1-CD1 3.83Å; V50-V102 VanDerWaalsContact CA-O 3.29Å; V50-V102 WeakPolarHBondContact CA-O 3.32Å; V50-F103 HydrophobicContact CB-CD1 3.72Å; V50-F103 HydrophobicContact CB-CE1 3.76Å; V50-F103 HydrophobicContact CG2-CD1 3.69Å; V50-F103 HydrophobicContact CG2-CE1 3.47Å; V50-F103 VanDerWaalsContact CG2-CE1 3.47Å; V50-F103 HydrophobicContact CG2-CE2 4.31Å; V50-F103 HydrophobicContact CG2-CG 4.22Å; V50-F103 HydrophobicContact CG2-CZ 3.81Å; V50-F192 HydrophobicContact CG1-CD2 4.4Å; V50-F192 HydrophobicContact CG1-CE2 4.32Å; V50-F192 HydrophobicContact CG2-CE2 4.16Å; V50-F192 HydrophobicContact CG2-CZ 4.08Å |
| 51 | F | 86.4 | Confident | 75.8 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 155.6 | 170.9 | 59.9 | -91.4 | 0 | 0 | 0 | 111.8 | F53 V60 I64 V102 V104 | F51-F53 HydrophobicContact CD2-CB 4.27Å; F51-F53 HydrophobicContact CE2-CB 4.11Å; F51-F53 HydrophobicContact CE2-CD2 4.46Å; F51-V60 HydrophobicContact CB-CG1 4.18Å; F51-V60 HydrophobicContact CD2-CG1 3.94Å; F51-V60 HydrophobicContact CD2-CG2 4.01Å; F51-V60 HydrophobicContact CE2-CG2 4.06Å; F51-V60 HydrophobicContact CG-CG1 4.35Å; F51-I64 HydrophobicContact CB-CG1 4.13Å; F51-I64 HydrophobicContact CD1-CG1 4.32Å; F51-I64 HydrophobicContact CG-CG1 4.46Å; F51-V102 HydrophobicContact CD1-CB 4.47Å; F51-V102 HydrophobicContact CD2-CB 4.12Å; F51-V102 HydrophobicContact CD2-CG2 4.39Å; F51-V102 HydrophobicContact CE1-CB 4.12Å; F51-V102 HydrophobicContact CE1-CG1 4Å; F51-V102 HydrophobicContact CE2-CB 3.73Å; F51-V102 HydrophobicContact CE2-CG1 4.1Å; F51-V102 HydrophobicContact CE2-CG2 3.91Å; F51-V102 HydrophobicContact CG-CB 4.48Å; F51-V102 HydrophobicContact CZ-CB 3.74Å; F51-V102 HydrophobicContact CZ-CG1 3.62Å; F51-V102 HydrophobicContact CZ-CG2 4.3Å; F51-V102 PolarHBondContact N-O 3.23Å; F51-V102 PolarHBondContact O-N 3.09Å; F51-V104 HydrophobicContact CE1-CG2 3.84Å |
| 52 | A | 84.1 | Confident | 76.9 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 134 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V60 L61 S62 F90 T99 L100 F101 F192 | A52-V60 CarbonylContact O-C 3.57Å; A52-V60 WeakPolarHBondContact O-CA 3.32Å; A52-L61 HydrophobicContact CB-CB 4.29Å; A52-L61 PolarHBondContact O-N 3.16Å; A52-S62 PolarHBondContact N-OG 3.42Å; A52-F90 HydrophobicContact CB-CE2 3.79Å; A52-F90 HydrophobicContact CB-CZ 3.73Å; A52-T99 HydrophobicContact CB-CG2 4.45Å; A52-L100 CarbonylContact C-O 3.53Å; A52-L100 WeakPolarHBondContact CA-O 3.37Å; A52-F101 HydrophobicContact CB-CD1 3.92Å; A52-F101 HydrophobicContact CB-CE1 3.99Å; A52-F192 HydrophobicContact CB-CE2 4.37Å |
| 53 | F | 82.3 | Confident | 77.7 | Confident | 6 Ų | 6 | 34.8 Ų | 34.8 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.4 | -177.8 | -178.8 | -99.7 | 0 | 0 | 0 | 109.9 | F51 K58 T59 V60 L100 V102 L151 | F51-F53 HydrophobicContact CD2-CB 4.27Å; F51-F53 HydrophobicContact CE2-CB 4.11Å; F51-F53 HydrophobicContact CE2-CD2 4.46Å; F53-K58 HydrophobicContact CE1-CD 4.1Å; F53-K58 WeakPolarHBondContact CE2-O 3.29Å; F53-K58 HydrophobicContact CZ-CB 4.21Å; F53-K58 HydrophobicContact CZ-CD 3.89Å; F53-T59 WeakPolarHBondContact CA-O 3.24Å; F53-T59 WeakPolarHBondContact CD2-O 3.44Å; F53-V60 HydrophobicContact CD2-CG2 4.09Å; F53-L100 HydrophobicContact CD1-CD1 4.41Å; F53-L100 PolarHBondContact N-O 2.87Å; F53-L100 PolarHBondContact O-N 2.97Å; F53-V102 HydrophobicContact CB-CG2 3.88Å; F53-L151 HydrophobicContact CD1-CB 4.49Å; F53-L151 HydrophobicContact CE1-CB 3.98Å; F53-L151 HydrophobicContact CZ-CB 4.11Å |
| 54 | D | 82.9 | Confident | 78.6 | Confident | 7 Ų | 7 | 34.9 Ų | 34.9 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 114 | 171.1 | 172.3 | 34.3 | 0 | 0 | 0 | 110.3 | S56 S57 K58 T59 L61 S98 | D54-S56 PolarHBondContact O-N 2.68Å; D54-S56 WeakPolarHBondContact OD1-CB 3.3Å; D54-S56 PolarHBondContact OD1-N 3.23Å; D54-S57 WeakPolarHBondContact OD2-CB 3.32Å; D54-S57 PolarHBondContact OD2-N 2.78Å; D54-S57 PolarHBondContact OD2-OG 2.92Å; D54-K58 VanDerWaalsContact O-CA 3.24Å; D54-K58 WeakPolarHBondContact O-CA 3.38Å; D54-K58 PolarHBondContact O-N 3.09Å; D54-T59 PolarHBondContact N-O 3.32Å; D54-L61 HydrophobicContact CB-CD1 4.04Å; D54-L61 HydrophobicContact CB-CD2 3.98Å; D54-L61 HydrophobicContact CB-CG 3.94Å; D54-S98 WeakPolarHBondContact OD1-CB 3.41Å; D54-S98 PolarHBondContact OD1-OG 3.15Å |
| 55 | N | 78.1 | Confident | 79.1 | Confident | 39 Ų | 39 | 36.1 Ų | 36.1 | 21% | 0.209 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -14.4 | 177.9 | -167.3 | 46.5 | 0 | 0 | 0 | 113.7 | K58 S98 L100 | N55-K58 PolarHBondContact OD1-NZ 3.15Å; N55-S98 WeakPolarHBondContact CB-O 3.25Å; N55-S98 PolarHBondContact N-O 3.19Å; N55-L100 HydrophobicContact CB-CD1 4.33Å |
| 56 | S | 77.9 | Confident | 79.4 | Confident | 90 Ų | 90 | 35.6 Ų | 35.6 | 63% | 0.629 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -56.8 | 177.7 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | D54 K58 S98 | D54-S56 PolarHBondContact O-N 2.68Å; D54-S56 WeakPolarHBondContact OD1-CB 3.3Å; D54-S56 PolarHBondContact OD1-N 3.23Å; S56-K58 VanDerWaalsContact C-N 3.33Å; S56-S98 WeakPolarHBondContact OG-CB 3.16Å; S56-S98 PolarHBondContact OG-OG 2.8Å |
| 57 | S | 73.3 | Confident | 79.3 | Confident | 62 Ų | 62 | 36.3 Ų | 36.3 | 43% | 0.434 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -11.5 | 177.3 | 61.9 | 0 | 0 | 0 | 0 | 113.9 | D54 T59 | D54-S57 WeakPolarHBondContact OD2-CB 3.32Å; D54-S57 PolarHBondContact OD2-N 2.78Å; D54-S57 PolarHBondContact OD2-OG 2.92Å; S57-T59 PolarHBondContact O-N 2.9Å; S57-T59 PolarHBondContact OG-N 2.92Å; S57-T59 PolarHBondContact OG-OG1 3.37Å |
| 58 | K | 76.2 | Confident | 78.9 | Confident | 63 Ų | 63 | 36.4 Ų | 36.4 | 27% | 0.274 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 28.4 | -172 | -59.8 | -62.9 | -164.8 | 171.9 | 0 | 113.6 | F53 D54 N55 S56 L151 L153 | F53-K58 HydrophobicContact CE1-CD 4.1Å; F53-K58 WeakPolarHBondContact CE2-O 3.29Å; F53-K58 HydrophobicContact CZ-CB 4.21Å; F53-K58 HydrophobicContact CZ-CD 3.89Å; D54-K58 VanDerWaalsContact O-CA 3.24Å; D54-K58 WeakPolarHBondContact O-CA 3.38Å; D54-K58 PolarHBondContact O-N 3.09Å; N55-K58 PolarHBondContact OD1-NZ 3.15Å; S56-K58 VanDerWaalsContact C-N 3.33Å; K58-L151 PolarHBondContact NZ-O 3.14Å; K58-L153 PolarHBondContact NZ-O 2.98Å |
| 59 | T | 71.9 | Confident | 78.4 | Confident | 65 Ų | 65 | 42.6 Ų | 42.6 | 40% | 0.399 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 150.1 | 178.3 | 64 | 0 | 0 | 0 | 0 | 112.4 | F53 D54 S57 | F53-T59 WeakPolarHBondContact CA-O 3.24Å; F53-T59 WeakPolarHBondContact CD2-O 3.44Å; D54-T59 PolarHBondContact N-O 3.32Å; S57-T59 PolarHBondContact O-N 2.9Å; S57-T59 PolarHBondContact OG-N 2.92Å; S57-T59 PolarHBondContact OG-OG1 3.37Å |
| 60 | V | 75 | Confident | 78 | Confident | 54 Ų | 54 | 41.6 Ų | 41.6 | 33% | 0.327 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 120.6 | 164.6 | 178.1 | 0 | 0 | 0 | 0 | 107.3 | W5 F51 A52 F53 S62 | W5-V60 HydrophobicContact CZ3-CG2 4.13Å; F51-V60 HydrophobicContact CB-CG1 4.18Å; F51-V60 HydrophobicContact CD2-CG1 3.94Å; F51-V60 HydrophobicContact CD2-CG2 4.01Å; F51-V60 HydrophobicContact CE2-CG2 4.06Å; F51-V60 HydrophobicContact CG-CG1 4.35Å; A52-V60 CarbonylContact O-C 3.57Å; A52-V60 WeakPolarHBondContact O-CA 3.32Å; F53-V60 HydrophobicContact CD2-CG2 4.09Å; V60-S62 WeakPolarHBondContact CG1-O 3.42Å |
| 61 | L | 73 | Confident | 77.1 | Confident | 50 Ų | 50 | 49.6 Ų | 49.6 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | trans | -83 | -21.1 | -177.8 | -65.6 | -174.7 | 0 | 0 | 0 | 113.4 | A52 D54 T99 N190 | A52-L61 HydrophobicContact CB-CB 4.29Å; A52-L61 PolarHBondContact O-N 3.16Å; D54-L61 HydrophobicContact CB-CD1 4.04Å; D54-L61 HydrophobicContact CB-CD2 3.98Å; D54-L61 HydrophobicContact CB-CG 3.94Å; L61-T99 HydrophobicContact CD1-CG2 3.93Å; L61-N190 HydrophobicContact CB-CB 4.46Å; L61-N190 WeakPolarHBondContact O-CB 3.49Å | ||
| 62 | S | 75.3 | Confident | 76.3 | Confident | 20 Ų | 20 | 53.6 Ų | 53.6 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -123.5 | 174.1 | -168.1 | 75.2 | 0 | 0 | 0 | 0 | 115 | A52 V60 N190 | A52-S62 PolarHBondContact N-OG 3.42Å; V60-S62 WeakPolarHBondContact CG1-O 3.42Å; S62-N190 WeakPolarHBondContact CA-O 3.39Å; S62-N190 WeakPolarHBondContact CB-O 3.23Å |
| 63 | N | 73.1 | Confident | 75.3 | Confident | 25 Ų | 25 | 59.4 Ų | 59.4 | 13% | 0.134 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 148.1 | 153.1 | 57.7 | -35.7 | 0 | 0 | 0 | 110.7 | R191 F192 | N63-R191 HydrophobicContact CB-CG 4.15Å; N63-R191 VanDerWaalsContact CG-CG 3.43Å; N63-R191 WeakPolarHBondContact OD1-CA 3.49Å; N63-R191 WeakPolarHBondContact OD1-CG 3.31Å; N63-F192 PolarHBondContact ND2-O 3.08Å; N63-F192 PolarHBondContact OD1-N 3.13Å |
| 64 | I | 77.7 | Confident | 74.4 | Confident | 97 Ų | 97 | 62.7 Ų | 62.7 | 50% | 0.497 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -75 | 125.3 | 155.8 | -54.9 | 173.5 | 0 | 0 | 0 | 106.4 | F49 F51 | F49-I64 HydrophobicContact CB-CG2 3.84Å; F49-I64 HydrophobicContact CD1-CG2 3.72Å; F49-I64 HydrophobicContact CG-CG2 4.16Å; F51-I64 HydrophobicContact CB-CG1 4.13Å; F51-I64 HydrophobicContact CD1-CG1 4.32Å; F51-I64 HydrophobicContact CG-CG1 4.46Å |
| 65 | W | 79.3 | Confident | 73.2 | Confident | 49 Ų | 49 | 69.8 Ų | 69.8 | 19% | 0.186 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 123.6 | 168.4 | -175.2 | -82.8 | 0 | 0 | 0 | 108.5 | F49 V50 F67 L88 F192 S194 | F49-W65 CarbonylContact C-O 3.03Å; F49-W65 VanDerWaalsContact CA-O 3.24Å; F49-W65 WeakPolarHBondContact CA-O 3.35Å; V50-W65 HydrophobicContact CG1-CB 3.86Å; V50-W65 HydrophobicContact CG1-CG 4.5Å; V50-W65 PolarHBondContact N-O 3.17Å; V50-W65 PolarHBondContact O-N 3.37Å; W65-F67 AromaticContact CD1-CD1 3.9Å; W65-F67 AromaticContact CD1-CE1 3.64Å; W65-F67 AromaticContact CD1-CE2 3.97Å; W65-F67 AromaticContact CD1-CZ 3.66Å; W65-F67 AromaticContact NE1-CD1 3.81Å; W65-F67 AromaticContact NE1-CE1 3.72Å; W65-L88 HydrophobicContact CB-CD1 4.41Å; W65-L88 HydrophobicContact CD2-CD1 4.33Å; W65-L88 HydrophobicContact CD2-CD2 3.9Å; W65-L88 HydrophobicContact CE3-CD2 4.41Å; W65-L88 HydrophobicContact CG-CD1 3.93Å; W65-L88 HydrophobicContact CG-CD2 4.32Å; W65-L88 HydrophobicContact CH2-CD2 4.48Å; W65-L88 HydrophobicContact CZ2-CD2 3.96Å; W65-F192 HydrophobicContact CB-CB 4.25Å; W65-F192 HydrophobicContact CE3-CB 4.3Å; W65-S194 VanDerWaalsContact CH2-CB 3.41Å; W65-S194 VanDerWaalsContact CZ2-CB 3.45Å |
| 66 | D | 80.7 | Confident | 72.3 | Confident | 50 Ų | 50 | 74.3 Ų | 74.3 | 27% | 0.267 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 127 | 172.6 | -171.4 | -11 | 0 | 0 | 0 | 107.9 | F49 G68 Y437 | F49-D66 HydrophobicContact CD1-CB 3.77Å; F49-D66 HydrophobicContact CE1-CB 3.65Å; F49-D66 VanDerWaalsContact CE1-OD2 3.31Å; F49-D66 WeakPolarHBondContact CE1-OD2 3.4Å; D66-G68 PolarHBondContact O-N 3.29Å; D66-G68 WeakPolarHBondContact OD1-CA 3.5Å; D66-G68 PolarHBondContact OD1-N 3.48Å; D66-Y437 PolarHBondContact OD2-OH 2.91Å; D66-Y437 VanDerWaalsContact OD2-OH 3.08Å |
| 67 | F | 77.2 | Confident | 71.5 | Confident | 18 Ų | 18 | 78 Ų | 78 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -5.6 | 174.9 | -68.6 | -79.2 | 0 | 0 | 0 | 112.8 | I29 L48 V50 W65 L70 L84 Q86 L88 | I29-F67 HydrophobicContact CD1-CE1 3.69Å; I29-F67 HydrophobicContact CD1-CE2 3.87Å; I29-F67 HydrophobicContact CD1-CZ 3.19Å; L48-F67 HydrophobicContact CB-CB 4.28Å; L48-F67 HydrophobicContact CB-CD2 3.83Å; L48-F67 HydrophobicContact CB-CG 4.42Å; L48-F67 HydrophobicContact CD2-CD2 3.69Å; L48-F67 HydrophobicContact CD2-CE2 3.97Å; L48-F67 HydrophobicContact CD2-CG 4.37Å; L48-F67 HydrophobicContact CG-CD2 3.68Å; L48-F67 HydrophobicContact CG-CE2 4.14Å; L48-F67 WeakPolarHBondContact O-CD2 3.36Å; L48-F67 PolarHBondContact O-N 2.86Å; V50-F67 HydrophobicContact CB-CE2 4.02Å; V50-F67 HydrophobicContact CB-CZ 4.48Å; V50-F67 HydrophobicContact CG1-CE2 3.6Å; V50-F67 HydrophobicContact CG1-CZ 3.69Å; W65-F67 AromaticContact CD1-CD1 3.9Å; W65-F67 AromaticContact CD1-CE1 3.64Å; W65-F67 AromaticContact CD1-CE2 3.97Å; W65-F67 AromaticContact CD1-CZ 3.66Å; W65-F67 AromaticContact NE1-CD1 3.81Å; W65-F67 AromaticContact NE1-CE1 3.72Å; F67-L70 HydrophobicContact CB-CD2 4.46Å; F67-L84 HydrophobicContact CB-CD2 3.86Å; F67-L84 HydrophobicContact CD1-CD2 3.98Å; F67-L84 HydrophobicContact CG-CD2 4.04Å; F67-Q86 HydrophobicContact CE1-CB 4.34Å; F67-L88 HydrophobicContact CE1-CD1 3.92Å; F67-L88 HydrophobicContact CE1-CG 4.34Å; F67-L88 HydrophobicContact CZ-CD1 3.6Å; F67-L88 HydrophobicContact CZ-CG 4.46Å |
| 68 | G | 73.2 | Confident | 71.1 | Confident | 27 Ų | 27 | 77.2 Ų | 77.2 | 28% | 0.278 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 80.3 | -164.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D66 L70 | D66-G68 PolarHBondContact O-N 3.29Å; D66-G68 WeakPolarHBondContact OD1-CA 3.5Å; D66-G68 PolarHBondContact OD1-N 3.48Å; G68-L70 PolarHBondContact O-N 2.88Å |
| 69 | K | 74.8 | Confident | 71 | Confident | 129 Ų | 129 | 75 Ų | 75 | 56% | 0.561 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 121.3 | 176.8 | 176.1 | 176.4 | 173.1 | 173.7 | 0 | 109.8 | E45 | E45-K69 HydrophobicContact CG-CD 4.35Å; E45-K69 VanDerWaalsContact OE1-CE 3.23Å; E45-K69 WeakPolarHBondContact OE1-CE 3.38Å; E45-K69 IonicContact OE1-NZ 3.92Å; E45-K69 PolarHBondContact OE1-NZ 2.95Å |
| 70 | L | 77.3 | Confident | 71.2 | Confident | 12 Ų | 12 | 72 Ų | 72 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 123.9 | -178.7 | -56.5 | 174.7 | 0 | 0 | 0 | 111.3 | L32 Y46 L48 F67 G68 F82 L84 L105 | L32-L70 HydrophobicContact CD2-CD1 3.78Å; Y46-L70 WeakPolarHBondContact O-CB 3.1Å; Y46-L70 WeakPolarHBondContact O-CG 3.09Å; Y46-L70 PolarHBondContact O-N 2.9Å; L48-L70 HydrophobicContact CB-CD1 4.17Å; L48-L70 HydrophobicContact CB-CD2 4.16Å; F67-L70 HydrophobicContact CB-CD2 4.46Å; G68-L70 PolarHBondContact O-N 2.88Å; L70-F82 HydrophobicContact CB-CB 4.28Å; L70-F82 HydrophobicContact CB-CD1 3.35Å; L70-F82 HydrophobicContact CB-CE1 3.75Å; L70-F82 HydrophobicContact CB-CG 3.99Å; L70-F82 HydrophobicContact CD1-CD1 4.33Å; L70-F82 HydrophobicContact CD1-CG 4.3Å; L70-F82 HydrophobicContact CG-CD1 4.47Å; L70-L84 HydrophobicContact CD2-CD1 4.39Å; L70-L84 HydrophobicContact CD2-CD2 3.73Å; L70-L84 HydrophobicContact CD2-CG 4.27Å; L70-L105 HydrophobicContact CD1-CD1 3.94Å |
| 71 | E | 69.1 | Low | 71.4 | Confident | 167 Ų | 167 | 73.8 Ų | 73.8 | 78% | 0.78 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -83.2 | 136.6 | 176.9 | -60.3 | -166.2 | 155.5 | 0 | 0 | 111.8 | F82 | E71-F82 WeakPolarHBondContact O-CD1 3.36Š|
| 72 | K | 70.2 | Confident | 71.6 | Confident | 95 Ų | 95 | 71.4 Ų | 71.4 | 41% | 0.413 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 102.2 | -172.5 | -62.3 | 170.9 | -172.6 | 166.7 | 0 | 108.8 | I44 V80 F82 | I44-K72 PolarHBondContact O-NZ 2.95Å; K72-V80 HydrophobicContact CB-CG1 4.07Å; K72-V80 HydrophobicContact CG-CG1 3.93Å; K72-F82 HydrophobicContact CD-CE1 4.44Å; K72-F82 HydrophobicContact CG-CD1 4.11Å; K72-F82 HydrophobicContact CG-CE1 3.48Å; K72-F82 VanDerWaalsContact CG-CE1 3.48Å; K72-F82 HydrophobicContact CG-CZ 4.17Å |
| 73 | E | 63.6 | Low | 71.5 | Confident | 123 Ų | 123 | 73 Ų | 73 | 58% | 0.575 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -37.8 | -168.2 | -152.2 | -177.6 | -145.2 | 0 | 0 | 113.2 | R81 L83 | E73-R81 PolarHBondContact N-O 3.07Å; E73-R81 VanDerWaalsContact N-O 3.11Å; E73-L83 VanDerWaalsContact OE1-CD2 3.24Å; E73-L83 WeakPolarHBondContact OE1-CD2 3.24Å; E73-L83 WeakPolarHBondContact OE2-CB 3.21Å |
| 74 | D | 62.2 | Low | 71.5 | Confident | 74 Ų | 74 | 72.8 Ų | 72.8 | 40% | 0.396 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 144.2 | -176 | -154.5 | -9.3 | 0 | 0 | 0 | 111.3 | K76 R81 | D74-K76 IonicContact OD1-NZ 3.34Å; D74-K76 PolarHBondContact OD1-NZ 3.16Å; D74-K76 IonicContact OD2-NZ 2.64Å; D74-K76 PolarHBondContact OD2-NZ 2.95Å; D74-R81 PolarHBondContact O-N 3.47Å |
| 75 | K | 58.3 | Low | 71.2 | Confident | 157 Ų | 157 | 77.4 Ų | 77.4 | 68% | 0.683 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 106.6 | 179 | -105.7 | -166.7 | 175.8 | -169.1 | 0 | 109.8 | V80 | K75-V80 HydrophobicContact CD-CG2 4.35Å; K75-V80 HydrophobicContact CG-CG2 3.7Å |
| 76 | K | 58.2 | Low | 71 | Confident | 133 Ų | 133 | 77 Ų | 77 | 58% | 0.578 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 124.5 | 177.1 | -73 | 172.6 | 179.7 | 134.1 | 0 | 110.1 | D74 G78 C79 | D74-K76 IonicContact OD1-NZ 3.34Å; D74-K76 PolarHBondContact OD1-NZ 3.16Å; D74-K76 IonicContact OD2-NZ 2.64Å; D74-K76 PolarHBondContact OD2-NZ 2.95Å; K76-G78 VanDerWaalsContact C-N 3.33Å; K76-G78 PolarHBondContact O-N 2.82Å; K76-C79 PolarHBondContact N-O 2.95Å; K76-C79 VanDerWaalsContact N-O 3.15Å; K76-C79 WeakPolarHBondContact O-CB 3.14Å; K76-C79 PolarHBondContact O-N 3.08Å |
| 77 | N | 61.4 | Low | 70.9 | Confident | 169 Ų | 169 | 75.3 Ų | 75.3 | 90% | 0.904 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 45.7 | 176.9 | -58.9 | -1.6 | 0 | 0 | 0 | 114.5 | C79 | N77-C79 PolarHBondContact O-N 3.18Š|
| 78 | G | 65.5 | Low | 71.2 | Confident | 45 Ų | 45 | 74.5 Ų | 74.5 | 46% | 0.464 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | -15 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y35 F36 K76 | Y35-G78 WeakPolarHBondContact CA-O 3.1Å; F36-G78 PolarHBondContact N-O 3.39Å; F36-G78 VanDerWaalsContact N-O 3.12Å; K76-G78 VanDerWaalsContact C-N 3.33Å; K76-G78 PolarHBondContact O-N 2.82Å |
| 79 | C | 74.6 | Confident | 71.6 | Confident | 17 Ų | 17 | 74 Ų | 74 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 133.5 | 170.1 | -167.1 | 0 | 0 | 0 | 0 | 110.7 | Y35 K76 N77 | Y35-C79 HydrophobicContact CD1-CB 3.88Å; Y35-C79 HydrophobicContact CD2-CB 4.24Å; Y35-C79 HydrophobicContact CE1-CB 3.62Å; Y35-C79 HydrophobicContact CE2-CB 4.01Å; Y35-C79 VanDerWaalsContact CE2-SG 3.6Å; Y35-C79 HydrophobicContact CG-CB 4.2Å; K76-C79 PolarHBondContact N-O 2.95Å; K76-C79 VanDerWaalsContact N-O 3.15Å; K76-C79 WeakPolarHBondContact O-CB 3.14Å; K76-C79 PolarHBondContact O-N 3.08Å; N77-C79 PolarHBondContact O-N 3.18Å |
| 80 | V | 74.9 | Confident | 71.9 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 129.1 | 166.4 | 174.4 | 0 | 0 | 0 | 0 | 108.1 | C34 F36 K72 K75 F82 | C34-V80 PolarHBondContact N-O 2.91Å; C34-V80 PolarHBondContact O-N 3.44Å; F36-V80 HydrophobicContact CD2-CB 3.95Å; F36-V80 HydrophobicContact CD2-CG2 3.7Å; F36-V80 HydrophobicContact CE2-CB 3.86Å; F36-V80 HydrophobicContact CE2-CG1 4.36Å; F36-V80 HydrophobicContact CE2-CG2 4.08Å; K72-V80 HydrophobicContact CB-CG1 4.07Å; K72-V80 HydrophobicContact CG-CG1 3.93Å; K75-V80 HydrophobicContact CD-CG2 4.35Å; K75-V80 HydrophobicContact CG-CG2 3.7Å; V80-F82 HydrophobicContact CB-CE2 4.42Å; V80-F82 HydrophobicContact CG1-CD2 4.22Å; V80-F82 HydrophobicContact CG1-CE1 4.15Å; V80-F82 HydrophobicContact CG1-CE2 3.8Å; V80-F82 HydrophobicContact CG1-CZ 3.78Å |
| 81 | R | 79.4 | Confident | 72 | Confident | 91 Ų | 91 | 70.2 Ų | 70.2 | 34% | 0.343 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 125.9 | 175.6 | -170.5 | 167.7 | 171.3 | 123.7 | -6 | 109.6 | H31 E33 E73 D74 | H31-R81 HydrophobicContact CB-CG 4.41Å; H31-R81 PolarHBondContact CD2-NH1 3.5Å; H31-R81 PolarHBondContact CD2-NH2 2.86Å; H31-R81 VanDerWaalsContact CD2-NH2 3.32Å; H31-R81 PolarHBondContact CE1-NH2 3.17Å; H31-R81 VanDerWaalsContact NE2-CZ 3.26Å; H31-R81 PolarHBondContact NE2-NH1 2.92Å; H31-R81 PolarHBondContact NE2-NH2 2.78Å; H31-R81 VanDerWaalsContact NE2-NH2 3.16Å; E33-R81 HydrophobicContact CG-CG 4.26Å; E33-R81 IonicContact OE1-CZ 2.64Å; E33-R81 IonicContact OE1-NH1 3.71Å; E33-R81 PolarHBondContact OE1-NH1 2.98Å; E73-R81 PolarHBondContact N-O 3.07Å; E73-R81 VanDerWaalsContact N-O 3.11Å; D74-R81 PolarHBondContact O-N 3.47Å |
| 82 | F | 78.4 | Confident | 72.4 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 119.3 | 173.4 | -54.8 | -91.6 | 0 | 0 | 0 | 108.3 | H31 L32 C34 F36 Y46 L70 E71 K72 V80 | H31-F82 CarbonylContact C-O 3.57Å; H31-F82 VanDerWaalsContact CA-O 3.29Å; H31-F82 WeakPolarHBondContact CA-O 3.39Å; H31-F82 WeakPolarHBondContact CB-O 3.39Å; L32-F82 HydrophobicContact CB-CB 4.31Å; L32-F82 HydrophobicContact CD2-CD2 3.96Å; L32-F82 HydrophobicContact CD2-CE2 4.47Å; L32-F82 HydrophobicContact CG-CD2 4.32Å; L32-F82 PolarHBondContact N-O 2.98Å; L32-F82 PolarHBondContact O-N 3.36Å; C34-F82 HydrophobicContact CB-CE2 4.04Å; F36-F82 HydrophobicContact CE2-CE2 4Å; F36-F82 HydrophobicContact CE2-CZ 4.03Å; F36-F82 HydrophobicContact CZ-CE2 4.19Å; F36-F82 HydrophobicContact CZ-CZ 4.28Å; Y46-F82 HydrophobicContact CD2-CE1 4.28Å; Y46-F82 AromaticContact CD2-CZ 3.9Å; Y46-F82 HydrophobicContact CD2-CZ 3.9Å; Y46-F82 HydrophobicContact CE2-CZ 4.47Å; Y46-F82 HydrophobicContact CG-CZ 4.03Å; L70-F82 HydrophobicContact CB-CB 4.28Å; L70-F82 HydrophobicContact CB-CD1 3.35Å; L70-F82 HydrophobicContact CB-CE1 3.75Å; L70-F82 HydrophobicContact CB-CG 3.99Å; L70-F82 HydrophobicContact CD1-CD1 4.33Å; L70-F82 HydrophobicContact CD1-CG 4.3Å; L70-F82 HydrophobicContact CG-CD1 4.47Å; E71-F82 WeakPolarHBondContact O-CD1 3.36Å; K72-F82 HydrophobicContact CD-CE1 4.44Å; K72-F82 HydrophobicContact CG-CD1 4.11Å; K72-F82 HydrophobicContact CG-CE1 3.48Å; K72-F82 VanDerWaalsContact CG-CE1 3.48Å; K72-F82 HydrophobicContact CG-CZ 4.17Å; V80-F82 HydrophobicContact CB-CE2 4.42Å; V80-F82 HydrophobicContact CG1-CD2 4.22Å; V80-F82 HydrophobicContact CG1-CE1 4.15Å; V80-F82 HydrophobicContact CG1-CE2 3.8Å; V80-F82 HydrophobicContact CG1-CZ 3.78Å |
| 83 | L | 73.1 | Confident | 72.2 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 27% | 0.272 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 120.7 | -179.4 | -170.7 | 79.7 | 0 | 0 | 0 | 109.5 | H31 E73 R85 | H31-L83 HydrophobicContact CB-CD1 4.47Å; E73-L83 VanDerWaalsContact OE1-CD2 3.24Å; E73-L83 WeakPolarHBondContact OE1-CD2 3.24Å; E73-L83 WeakPolarHBondContact OE2-CB 3.21Å; L83-R85 HydrophobicContact CD1-CG 4.23Å; L83-R85 HydrophobicContact CD2-CG 4.28Å; L83-R85 HydrophobicContact CG-CG 4.07Å |
| 84 | L | 72 | Confident | 72.3 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 12% | 0.115 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -49.8 | -175.2 | -84.4 | 158.6 | 0 | 0 | 0 | 112.3 | I29 K30 L48 F67 L70 Q86 | I29-L84 HydrophobicContact CB-CB 4.43Å; I29-L84 HydrophobicContact CG2-CB 4.04Å; I29-L84 HydrophobicContact CG2-CD1 3.63Å; I29-L84 HydrophobicContact CG2-CG 4.47Å; K30-L84 PolarHBondContact O-N 2.82Å; L48-L84 HydrophobicContact CD2-CD1 3.62Å; F67-L84 HydrophobicContact CB-CD2 3.86Å; F67-L84 HydrophobicContact CD1-CD2 3.98Å; F67-L84 HydrophobicContact CG-CD2 4.04Å; L70-L84 HydrophobicContact CD2-CD1 4.39Å; L70-L84 HydrophobicContact CD2-CD2 3.73Å; L70-L84 HydrophobicContact CD2-CG 4.27Å; L84-Q86 PolarHBondContact O-N 3Å |
| 85 | R | 71.1 | Confident | 72.3 | Confident | 193 Ų | 193 | 55.2 Ų | 55.2 | 73% | 0.728 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 45.7 | 24.4 | -178.3 | -71.7 | -173.7 | -178.6 | 158.7 | 9 | 115.2 | I29 L83 | I29-R85 WeakPolarHBondContact O-CA 3.26Å; I29-R85 PolarHBondContact O-N 3.07Å; L83-R85 HydrophobicContact CD1-CG 4.23Å; L83-R85 HydrophobicContact CD2-CG 4.28Å; L83-R85 HydrophobicContact CG-CG 4.07Å |
| 86 | Q | 75.8 | Confident | 72.3 | Confident | 40 Ų | 40 | 52.4 Ų | 52.4 | 19% | 0.187 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 132.7 | 176.9 | -73.8 | -175.4 | 28.4 | 0 | 0 | 110.2 | I29 F67 L84 | I29-Q86 PolarHBondContact N-O 3.24Å; F67-Q86 HydrophobicContact CE1-CB 4.34Å; L84-Q86 PolarHBondContact O-N 3Å |
| 87 | T | 79.9 | Confident | 72.7 | Confident | 16 Ų | 16 | 54.6 Ų | 54.6 | 10% | 0.098 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 127.6 | 167.3 | -62.5 | 0 | 0 | 0 | 0 | 108.9 | R26 L27 Y89 | R26-T87 HydrophobicContact CG-CG2 3.62Å; L27-T87 WeakPolarHBondContact O-CA 3.39Å; T87-Y89 HydrophobicContact CG2-CE1 3.99Å; T87-Y89 HydrophobicContact CG2-CE2 4.38Å |
| 88 | L | 82.8 | Confident | 73.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 142.1 | 170.4 | -59.3 | -176 | 0 | 0 | 0 | 109.9 | L27 V50 W65 F67 F192 V193 | L27-L88 HydrophobicContact CB-CB 4.46Å; L27-L88 PolarHBondContact N-O 3.15Å; L27-L88 PolarHBondContact O-N 3.12Å; V50-L88 HydrophobicContact CG1-CD1 3.83Å; W65-L88 HydrophobicContact CB-CD1 4.41Å; W65-L88 HydrophobicContact CD2-CD1 4.33Å; W65-L88 HydrophobicContact CD2-CD2 3.9Å; W65-L88 HydrophobicContact CE3-CD2 4.41Å; W65-L88 HydrophobicContact CG-CD1 3.93Å; W65-L88 HydrophobicContact CG-CD2 4.32Å; W65-L88 HydrophobicContact CH2-CD2 4.48Å; W65-L88 HydrophobicContact CZ2-CD2 3.96Å; F67-L88 HydrophobicContact CE1-CD1 3.92Å; F67-L88 HydrophobicContact CE1-CG 4.34Å; F67-L88 HydrophobicContact CZ-CD1 3.6Å; F67-L88 HydrophobicContact CZ-CG 4.46Å; L88-F192 HydrophobicContact CB-CD1 4.09Å; L88-F192 HydrophobicContact CD1-CB 4.4Å; L88-F192 HydrophobicContact CD1-CD1 4.06Å; L88-F192 HydrophobicContact CD1-CG 4.36Å; L88-V193 CarbonylContact C-O 3.58Å; L88-V193 WeakPolarHBondContact CA-O 2.99Å |
| 89 | Y | 81.4 | Confident | 74.1 | Confident | 17 Ų | 17 | 45.7 Ų | 45.7 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 143.6 | 170.3 | -56.2 | -71 | 0 | 0 | 0 | 110.1 | L25 R26 T87 L180 F192 V193 T195 | L25-Y89 WeakPolarHBondContact O-CA 3.2Å; R26-Y89 HydrophobicContact CB-CD1 4.23Å; R26-Y89 HydrophobicContact CB-CE1 4.2Å; R26-Y89 HydrophobicContact CG-CD1 4.3Å; R26-Y89 HydrophobicContact CG-CE1 3.9Å; T87-Y89 HydrophobicContact CG2-CE1 3.99Å; T87-Y89 HydrophobicContact CG2-CE2 4.38Å; Y89-L180 HydrophobicContact CD1-CD1 3.59Å; Y89-L180 HydrophobicContact CE1-CD1 4.24Å; Y89-L180 HydrophobicContact CG-CD1 4.08Å; Y89-F192 WeakPolarHBondContact O-CA 3.1Å; Y89-V193 PolarHBondContact N-O 3.02Å; Y89-V193 PolarHBondContact O-N 2.96Å; Y89-V193 VanDerWaalsContact O-N 3.08Å; Y89-T195 HydrophobicContact CE2-CG2 3.65Å |
| 90 | F | 82 | Confident | 74.5 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 114.2 | 176.6 | -175.2 | -92.6 | 0 | 0 | 0 | 109.7 | L25 A52 F101 N190 F192 | L25-F90 HydrophobicContact CB-CB 4.48Å; L25-F90 HydrophobicContact CD1-CD1 4.31Å; L25-F90 PolarHBondContact N-O 3.2Å; L25-F90 PolarHBondContact O-N 2.93Å; A52-F90 HydrophobicContact CB-CE2 3.79Å; A52-F90 HydrophobicContact CB-CZ 3.73Å; F90-F101 HydrophobicContact CB-CZ 3.95Å; F90-F101 AromaticContact CD1-CE1 3.91Å; F90-F101 HydrophobicContact CD1-CE1 3.91Å; F90-F101 AromaticContact CD1-CZ 3.77Å; F90-F101 HydrophobicContact CD1-CZ 3.77Å; F90-F101 HydrophobicContact CD2-CE1 4.2Å; F90-F101 HydrophobicContact CD2-CZ 4.32Å; F90-F101 HydrophobicContact CE1-CE1 4.01Å; F90-F101 HydrophobicContact CE1-CZ 4.32Å; F90-F101 HydrophobicContact CE2-CE1 4.3Å; F90-F101 HydrophobicContact CG-CE1 4Å; F90-F101 AromaticContact CG-CZ 3.76Å; F90-F101 HydrophobicContact CG-CZ 3.76Å; F90-F101 HydrophobicContact CZ-CE1 4.21Å; F90-N190 VanDerWaalsContact CE2-C 3.4Å; F90-N190 WeakPolarHBondContact CE2-O 2.91Å; F90-N190 HydrophobicContact CZ-CB 4.21Å; F90-F192 HydrophobicContact CB-CD1 3.98Å; F90-F192 HydrophobicContact CB-CE1 3.91Å; F90-F192 AromaticContact CD2-CD1 3.92Å; F90-F192 HydrophobicContact CD2-CD1 3.92Å; F90-F192 HydrophobicContact CD2-CD2 4.22Å; F90-F192 AromaticContact CD2-CE1 3.89Å; F90-F192 HydrophobicContact CD2-CE1 3.89Å; F90-F192 HydrophobicContact CD2-CE2 4.18Å; F90-F192 HydrophobicContact CD2-CG 4.09Å; F90-F192 HydrophobicContact CD2-CZ 4.04Å; F90-F192 HydrophobicContact CE2-CE2 4.43Å; F90-F192 HydrophobicContact CG-CD1 4.38Å; F90-F192 HydrophobicContact CG-CE1 4.18Å |
| 91 | R | 78.4 | Confident | 75.2 | Confident | 59 Ų | 59 | 45.5 Ų | 45.5 | 22% | 0.223 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 135 | 173.1 | 173.7 | -179.9 | -174.5 | -150 | 8.9 | 109.3 | N24 S184 I187 V189 N190 | N24-R91 WeakPolarHBondContact OD1-CG 3.37Å; R91-S184 WeakPolarHBondContact CD-O 3.12Å; R91-S184 PolarHBondContact NE-O 3.09Å; R91-S184 PolarHBondContact NH1-O 2.82Å; R91-I187 HydrophobicContact CB-CG2 3.87Å; R91-I187 WeakPolarHBondContact CD-O 3.05Å; R91-I187 PolarHBondContact NH1-O 3.34Å; R91-V189 HydrophobicContact CG-CG2 4.47Å; R91-N190 WeakPolarHBondContact O-CA 3.45Å; R91-N190 PolarHBondContact O-N 2.93Å |
| 92 | S | 77.1 | Confident | 75.5 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | trans | -129.5 | 143.5 | 166.3 | -166.2 | 0 | 0 | 0 | 0 | 111.7 | G22 E23 G94 N190 | G22-S92 CarbonylContact C-O 3.15Å; G22-S92 WeakPolarHBondContact CA-O 3.29Å; E23-S92 PolarHBondContact O-N 2.9Å; S92-G94 PolarHBondContact O-N 3.3Å; S92-G94 PolarHBondContact OG-N 3.42Å; S92-N190 WeakPolarHBondContact CB-OD1 3.33Å; S92-N190 PolarHBondContact OG-OD1 2.62Å | ||
| 93 | S | 67 | Low | 76 | Confident | 92 Ų | 92 | 41.1 Ų | 41.1 | 64% | 0.643 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -75.4 | 1.7 | 171.4 | 58 | 0 | 0 | 0 | 0 | 113.1 | ||
| 94 | G | 65.2 | Low | 76.6 | Confident | 29 Ų | 29 | 39 Ų | 39 | 30% | 0.299 | 20% | 0.196 | S | C | . | . | trans | 167.3 | 102.2 | 174 | 0 | 0 | 0 | 0 | 0 | 109.9 | S92 L96 | S92-G94 PolarHBondContact O-N 3.3Å; S92-G94 PolarHBondContact OG-N 3.42Å; G94-L96 PolarHBondContact O-N 3.18Å | ||
| 95 | V | 61.2 | Low | 77.3 | Confident | 18 Ų | 18 | 38 Ų | 38 | 11% | 0.109 | 19% | 0.19 | C | C | . | . | trans | -70.4 | 95.5 | 176.2 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | E23 L25 I126 | E23-V95 HydrophobicContact CB-CG2 3.92Å; E23-V95 WeakPolarHBondContact OE2-CB 3.45Å; L25-V95 HydrophobicContact CD1-CG2 4.42Å; V95-I126 HydrophobicContact CG1-CB 4.26Å; V95-I126 HydrophobicContact CG1-CD1 4.26Å; V95-I126 HydrophobicContact CG1-CG2 3.9Å | ||
| 96 | L | 59.7 | Low | 77.8 | Confident | 97 Ų | 97 | 29.5 Ų | 29.5 | 51% | 0.508 | 16% | 0.16 | S | C | . | . | trans | -54.9 | 144.9 | 173.1 | -64.3 | 176.1 | 0 | 0 | 0 | 109.9 | G94 S98 T99 | G94-L96 PolarHBondContact O-N 3.18Å; L96-S98 PolarHBondContact O-N 3.33Å; L96-T99 PolarHBondContact O-N 3.25Å; L96-T99 PolarHBondContact O-OG1 3.46Å | ||
| 97 | K | 65.8 | Low | 78 | Confident | 180 Ų | 180 | 30.6 Ų | 30.6 | 78% | 0.783 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -13 | 178.8 | -63.8 | 179.6 | -177 | 172.1 | 0 | 113.3 | ||
| 98 | S | 74.5 | Confident | 77.6 | Confident | 22 Ų | 22 | 30.7 Ų | 30.7 | 15% | 0.154 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -2.1 | 179.4 | 48.1 | 0 | 0 | 0 | 0 | 115.2 | D54 N55 S56 L96 | D54-S98 WeakPolarHBondContact OD1-CB 3.41Å; D54-S98 PolarHBondContact OD1-OG 3.15Å; N55-S98 WeakPolarHBondContact CB-O 3.25Å; N55-S98 PolarHBondContact N-O 3.19Å; S56-S98 WeakPolarHBondContact OG-CB 3.16Å; S56-S98 PolarHBondContact OG-OG 2.8Å; L96-S98 PolarHBondContact O-N 3.33Å |
| 99 | T | 81.4 | Confident | 76.9 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 127.9 | -178.7 | -50.9 | 0 | 0 | 0 | 0 | 112 | A52 L61 L96 I126 | A52-T99 HydrophobicContact CB-CG2 4.45Å; L61-T99 HydrophobicContact CD1-CG2 3.93Å; L96-T99 PolarHBondContact O-N 3.25Å; L96-T99 PolarHBondContact O-OG1 3.46Å; T99-I126 HydrophobicContact CG2-CD1 3.59Å |
| 100 | L | 84.1 | Confident | 75.9 | Confident | 14 Ų | 14 | 36.3 Ų | 36.3 | 7% | 0.073 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 141.2 | 176.8 | -55.6 | 178.8 | 0 | 0 | 0 | 109.9 | A52 F53 N55 V102 V124 K125 L151 | A52-L100 CarbonylContact C-O 3.53Å; A52-L100 WeakPolarHBondContact CA-O 3.37Å; F53-L100 HydrophobicContact CD1-CD1 4.41Å; F53-L100 PolarHBondContact N-O 2.87Å; F53-L100 PolarHBondContact O-N 2.97Å; N55-L100 HydrophobicContact CB-CD1 4.33Å; L100-V102 HydrophobicContact CB-CG2 4.27Å; L100-V124 WeakPolarHBondContact CA-O 3.19Å; L100-K125 HydrophobicContact CD2-CB 4.19Å; L100-K125 HydrophobicContact CD2-CG 3.43Å; L100-K125 VanDerWaalsContact CD2-CG 3.43Å; L100-L151 HydrophobicContact CD1-CD2 4.25Å |
| 101 | F | 89 | Confident | 74.8 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.4 | 157.7 | -70.5 | -13.8 | 0 | 0 | 0 | 108.7 | L25 L27 A52 F90 F103 S123 V124 I126 L174 F192 | L25-F101 HydrophobicContact CD1-CZ 4.09Å; L27-F101 HydrophobicContact CD2-CD2 4.09Å; L27-F101 HydrophobicContact CD2-CE2 4.26Å; A52-F101 HydrophobicContact CB-CD1 3.92Å; A52-F101 HydrophobicContact CB-CE1 3.99Å; F90-F101 HydrophobicContact CB-CZ 3.95Å; F90-F101 AromaticContact CD1-CE1 3.91Å; F90-F101 HydrophobicContact CD1-CE1 3.91Å; F90-F101 AromaticContact CD1-CZ 3.77Å; F90-F101 HydrophobicContact CD1-CZ 3.77Å; F90-F101 HydrophobicContact CD2-CE1 4.2Å; F90-F101 HydrophobicContact CD2-CZ 4.32Å; F90-F101 HydrophobicContact CE1-CE1 4.01Å; F90-F101 HydrophobicContact CE1-CZ 4.32Å; F90-F101 HydrophobicContact CE2-CE1 4.3Å; F90-F101 HydrophobicContact CG-CE1 4Å; F90-F101 AromaticContact CG-CZ 3.76Å; F90-F101 HydrophobicContact CG-CZ 3.76Å; F90-F101 HydrophobicContact CZ-CE1 4.21Å; F101-F103 HydrophobicContact CB-CE2 4.34Å; F101-S123 CarbonylContact O-C 3.53Å; F101-S123 WeakPolarHBondContact O-CA 3.45Å; F101-V124 HydrophobicContact CB-CB 4.46Å; F101-V124 PolarHBondContact N-O 2.82Å; F101-V124 PolarHBondContact O-N 3.28Å; F101-I126 HydrophobicContact CD1-CD1 3.56Å; F101-I126 HydrophobicContact CD1-CG1 4.03Å; F101-I126 HydrophobicContact CD2-CD1 4.49Å; F101-I126 HydrophobicContact CD2-CG1 4.27Å; F101-I126 HydrophobicContact CE1-CD1 3.34Å; F101-I126 HydrophobicContact CE1-CG1 4.13Å; F101-I126 HydrophobicContact CE2-CD1 4.32Å; F101-I126 HydrophobicContact CE2-CG1 4.36Å; F101-I126 HydrophobicContact CG-CD1 4.15Å; F101-I126 HydrophobicContact CG-CG1 4.1Å; F101-I126 HydrophobicContact CZ-CD1 3.76Å; F101-I126 HydrophobicContact CZ-CG1 4.29Å; F101-L174 HydrophobicContact CD2-CD1 4.45Å; F101-L174 HydrophobicContact CE2-CD1 3.85Å; F101-F192 HydrophobicContact CD1-CE1 4.47Å; F101-F192 HydrophobicContact CD1-CE2 4.4Å; F101-F192 AromaticContact CD1-CZ 3.61Å; F101-F192 HydrophobicContact CD1-CZ 3.61Å; F101-F192 HydrophobicContact CD2-CE1 4.38Å; F101-F192 HydrophobicContact CD2-CZ 4.09Å; F101-F192 HydrophobicContact CE1-CE1 4.02Å; F101-F192 HydrophobicContact CE1-CE2 4.37Å; F101-F192 AromaticContact CE1-CZ 3.48Å; F101-F192 HydrophobicContact CE1-CZ 3.48Å; F101-F192 VanDerWaalsContact CE1-CZ 3.48Å; F101-F192 AromaticContact CE2-CE1 3.93Å; F101-F192 HydrophobicContact CE2-CE1 3.93Å; F101-F192 AromaticContact CE2-CZ 3.98Å; F101-F192 HydrophobicContact CE2-CZ 3.98Å; F101-F192 AromaticContact CG-CZ 3.92Å; F101-F192 HydrophobicContact CG-CZ 3.92Å; F101-F192 AromaticContact CZ-CE1 3.74Å; F101-F192 HydrophobicContact CZ-CE1 3.74Å; F101-F192 AromaticContact CZ-CZ 3.68Å; F101-F192 HydrophobicContact CZ-CZ 3.68Å |
| 102 | V | 86.6 | Confident | 73.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 122.9 | -175.5 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | V50 F51 F53 L100 V104 W121 C122 L151 | V50-V102 VanDerWaalsContact CA-O 3.29Å; V50-V102 WeakPolarHBondContact CA-O 3.32Å; F51-V102 HydrophobicContact CD1-CB 4.47Å; F51-V102 HydrophobicContact CD2-CB 4.12Å; F51-V102 HydrophobicContact CD2-CG2 4.39Å; F51-V102 HydrophobicContact CE1-CB 4.12Å; F51-V102 HydrophobicContact CE1-CG1 4Å; F51-V102 HydrophobicContact CE2-CB 3.73Å; F51-V102 HydrophobicContact CE2-CG1 4.1Å; F51-V102 HydrophobicContact CE2-CG2 3.91Å; F51-V102 HydrophobicContact CG-CB 4.48Å; F51-V102 HydrophobicContact CZ-CB 3.74Å; F51-V102 HydrophobicContact CZ-CG1 3.62Å; F51-V102 HydrophobicContact CZ-CG2 4.3Å; F51-V102 PolarHBondContact N-O 3.23Å; F51-V102 PolarHBondContact O-N 3.09Å; F53-V102 HydrophobicContact CB-CG2 3.88Å; L100-V102 HydrophobicContact CB-CG2 4.27Å; V102-V104 HydrophobicContact CG1-CG2 4.27Å; V102-W121 HydrophobicContact CG1-CE3 4.34Å; V102-C122 WeakPolarHBondContact CA-O 3.26Å; V102-L151 HydrophobicContact CB-CD1 4.29Å; V102-L151 HydrophobicContact CG1-CD1 3.68Å; V102-L151 HydrophobicContact CG2-CD1 3.57Å |
| 103 | F | 88.4 | Confident | 72.8 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 135.2 | 174.9 | -60.5 | -91.3 | 0 | 0 | 0 | 109.6 | L27 I29 L48 F49 V50 F101 W121 C122 V124 F143 I170 | L27-F103 HydrophobicContact CD1-CZ 4.25Å; L27-F103 HydrophobicContact CD2-CE1 4.34Å; L27-F103 HydrophobicContact CD2-CZ 4Å; I29-F103 HydrophobicContact CD1-CE1 3.72Å; I29-F103 HydrophobicContact CG1-CE1 4.43Å; L48-F103 HydrophobicContact CD1-CB 4.36Å; F49-F103 CarbonylContact O-C 3.54Å; F49-F103 VanDerWaalsContact O-CA 3.27Å; F49-F103 WeakPolarHBondContact O-CA 3.48Å; V50-F103 HydrophobicContact CB-CD1 3.72Å; V50-F103 HydrophobicContact CB-CE1 3.76Å; V50-F103 HydrophobicContact CG2-CD1 3.69Å; V50-F103 HydrophobicContact CG2-CE1 3.47Å; V50-F103 VanDerWaalsContact CG2-CE1 3.47Å; V50-F103 HydrophobicContact CG2-CE2 4.31Å; V50-F103 HydrophobicContact CG2-CG 4.22Å; V50-F103 HydrophobicContact CG2-CZ 3.81Å; F101-F103 HydrophobicContact CB-CE2 4.34Å; F103-W121 CarbonylContact O-C 3.57Å; F103-W121 WeakPolarHBondContact O-CA 3.33Å; F103-W121 VanDerWaalsContact O-CB 3.23Å; F103-W121 WeakPolarHBondContact O-CB 3.44Å; F103-C122 PolarHBondContact N-O 2.86Å; F103-C122 PolarHBondContact O-N 3.01Å; F103-V124 HydrophobicContact CD2-CG2 4.28Å; F103-V124 HydrophobicContact CE2-CG2 3.8Å; F103-F143 HydrophobicContact CB-CE1 4.47Å; F103-F143 HydrophobicContact CB-CZ 4.39Å; F103-I170 HydrophobicContact CD1-CD1 3.61Å; F103-I170 HydrophobicContact CE1-CD1 3.81Å; F103-I170 HydrophobicContact CG-CD1 4.02Å; F103-I170 HydrophobicContact CZ-CD1 4.39Å |
| 104 | V | 86 | Confident | 72.4 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 5% | 0.048 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 124.7 | 178.9 | -174.5 | 0 | 0 | 0 | 0 | 109.2 | F49 F51 V102 T106 E118 W121 C148 | F49-V104 HydrophobicContact CB-CB 4.49Å; F49-V104 PolarHBondContact N-O 2.89Å; F49-V104 PolarHBondContact O-N 2.96Å; F51-V104 HydrophobicContact CE1-CG2 3.84Å; V102-V104 HydrophobicContact CG1-CG2 4.27Å; V104-T106 HydrophobicContact CG1-CG2 4.21Å; V104-E118 HydrophobicContact CG1-CG 4.12Å; V104-W121 HydrophobicContact CG2-CB 4.07Å; V104-C148 HydrophobicContact CG2-CB 3.85Å |
| 105 | L | 85.2 | Confident | 72.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 125.1 | 176.3 | -178.1 | 65.9 | 0 | 0 | 0 | 109.1 | L32 L70 I119 G120 F143 | L32-L105 HydrophobicContact CD2-CD1 3.77Å; L32-L105 HydrophobicContact CD2-CD2 4.27Å; L70-L105 HydrophobicContact CD1-CD1 3.94Å; L105-I119 HydrophobicContact CD2-CB 4.47Å; L105-I119 HydrophobicContact CD2-CD1 4.27Å; L105-I119 HydrophobicContact CD2-CG2 4.37Å; L105-I119 HydrophobicContact CG-CB 4.44Å; L105-I119 HydrophobicContact CG-CD1 4.18Å; L105-I119 PolarHBondContact O-N 2.61Å; L105-G120 PolarHBondContact N-O 2.8Å; L105-F143 HydrophobicContact CB-CD1 4.1Å; L105-F143 HydrophobicContact CB-CE1 3.68Å; L105-F143 HydrophobicContact CB-CZ 4.3Å |
| 106 | T | 82.9 | Confident | 72.2 | Confident | 14 Ų | 14 | 56 Ų | 56 | 9% | 0.086 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 159.5 | 176.1 | 73.2 | 0 | 0 | 0 | 0 | 111.2 | Y46 N47 F49 V104 S117 E118 | Y46-T106 WeakPolarHBondContact CA-O 3.49Å; N47-T106 PolarHBondContact N-O 2.87Å; N47-T106 PolarHBondContact O-N 2.9Å; F49-T106 HydrophobicContact CD2-CG2 4.12Å; F49-T106 HydrophobicContact CE2-CG2 3.82Å; V104-T106 HydrophobicContact CG1-CG2 4.21Å; T106-S117 CarbonylContact C-O 3.55Å; T106-S117 VanDerWaalsContact CA-O 3.23Å; T106-S117 WeakPolarHBondContact CA-O 3.23Å; T106-S117 WeakPolarHBondContact CB-O 3.27Å; T106-E118 HydrophobicContact CG2-CG 4.16Å |
| 107 | K | 80 | Confident | 72.8 | Confident | 64 Ų | 64 | 53.9 Ų | 53.9 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 145.9 | 161.7 | 60.3 | 178.9 | -178.5 | 176.7 | 0 | 112.3 | D40 I44 E45 Y46 S117 I119 | D40-K107 IonicContact OD1-NZ 3.53Å; I44-K107 HydrophobicContact CG2-CB 3.78Å; I44-K107 HydrophobicContact CG2-CD 3.9Å; I44-K107 HydrophobicContact CG2-CG 4.42Å; E45-K107 CarbonylContact O-C 3.59Å; E45-K107 VanDerWaalsContact O-CA 3.24Å; E45-K107 WeakPolarHBondContact O-CA 3.46Å; E45-K107 WeakPolarHBondContact O-CB 3.27Å; Y46-K107 HydrophobicContact CD1-CB 4.07Å; Y46-K107 HydrophobicContact CE1-CB 4.18Å; K107-S117 WeakPolarHBondContact CG-OG 3.35Å; K107-S117 PolarHBondContact N-O 3.2Å; K107-S117 PolarHBondContact O-N 2.83Å; K107-I119 HydrophobicContact CB-CD1 3.91Å; K107-I119 HydrophobicContact CB-CG1 4.44Å; K107-I119 HydrophobicContact CD-CD1 4.2Å; K107-I119 HydrophobicContact CD-CG1 4.35Å; K107-I119 HydrophobicContact CG-CD1 4.01Å; K107-I119 HydrophobicContact CG-CG1 4.06Å |
| 108 | C | 71.2 | Confident | 73.1 | Confident | 17 Ų | 17 | 49.1 Ų | 49.1 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143.1 | 169.4 | -164.5 | 0 | 0 | 0 | 0 | 108.4 | E45 K116 | E45-C108 PolarHBondContact N-O 3.06Å; E45-C108 PolarHBondContact O-N 3.45Å; C108-K116 HydrophobicContact CB-CG 4.47Å |
| 109 | N | 67.1 | Low | 73.2 | Confident | 67 Ų | 67 | 49.5 Ų | 49.5 | 36% | 0.358 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 123.1 | 174.1 | -177.2 | -15.6 | 0 | 0 | 0 | 108.1 | S111 K112 | N109-S111 PolarHBondContact O-N 2.79Å; N109-S111 PolarHBondContact OD1-N 3.29Å; N109-S111 PolarHBondContact OD1-OG 2.94Å; N109-S111 VanDerWaalsContact OD1-OG 3.1Å; N109-K112 CarbonylContact O-C 3.29Å; N109-K112 VanDerWaalsContact O-C 3.29Å; N109-K112 PolarHBondContact O-N 3.15Å |
| 110 | S | 60.8 | Low | 73.2 | Confident | 68 Ų | 68 | 49.3 Ų | 49.3 | 48% | 0.476 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -25.7 | -175.6 | 68.5 | 0 | 0 | 0 | 0 | 113.3 | D43 K112 | D43-S110 WeakPolarHBondContact O-CB 3.47Å; D43-S110 PolarHBondContact O-N 2.86Å; D43-S110 VanDerWaalsContact O-N 3.08Å; D43-S110 PolarHBondContact O-OG 2.95Å; S110-K112 VanDerWaalsContact C-N 3.31Å; S110-K112 PolarHBondContact O-N 3.05Å |
| 111 | S | 60.2 | Low | 73.2 | Confident | 89 Ų | 89 | 48.8 Ų | 48.8 | 62% | 0.622 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -13.3 | 176.8 | 73.9 | 0 | 0 | 0 | 0 | 114.7 | N109 | N109-S111 PolarHBondContact O-N 2.79Å; N109-S111 PolarHBondContact OD1-N 3.29Å; N109-S111 PolarHBondContact OD1-OG 2.94Å; N109-S111 VanDerWaalsContact OD1-OG 3.1Å |
| 112 | K | 58.1 | Low | 73.1 | Confident | 121 Ų | 121 | 48.9 Ų | 48.9 | 53% | 0.526 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 91.7 | -178.4 | -70.9 | -172.1 | 178.7 | -178.7 | 0 | 111.5 | N109 S110 T114 D115 | N109-K112 CarbonylContact O-C 3.29Å; N109-K112 VanDerWaalsContact O-C 3.29Å; N109-K112 PolarHBondContact O-N 3.15Å; S110-K112 VanDerWaalsContact C-N 3.31Å; S110-K112 PolarHBondContact O-N 3.05Å; K112-T114 PolarHBondContact O-N 2.83Å; K112-D115 PolarHBondContact O-N 3.22Å |
| 113 | S | 54.7 | Low | 73 | Confident | 92 Ų | 92 | 50.8 Ų | 50.8 | 64% | 0.643 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.5 | -16.9 | -178.5 | 54.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 114 | T | 57.5 | Low | 72.8 | Confident | 114 Ų | 114 | 51 Ų | 51 | 70% | 0.699 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -23.3 | -177.1 | 48.2 | 0 | 0 | 0 | 0 | 114.6 | K112 K116 | K112-T114 PolarHBondContact O-N 2.83Å; T114-K116 PolarHBondContact O-N 2.93Å; T114-K116 VanDerWaalsContact O-N 3.17Å |
| 115 | D | 59.7 | Low | 72.6 | Confident | 99 Ų | 99 | 55.6 Ų | 55.6 | 53% | 0.529 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 66.9 | -179 | -79.1 | -39 | 0 | 0 | 0 | 111.4 | K112 | K112-D115 PolarHBondContact O-N 3.22Å |
| 116 | K | 64.5 | Low | 72.2 | Confident | 104 Ų | 104 | 55.6 Ų | 55.6 | 45% | 0.452 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 131.7 | 168.9 | -66.3 | -175.6 | -178.7 | -178.3 | 0 | 110 | C108 T114 | C108-K116 HydrophobicContact CB-CG 4.47Å; T114-K116 PolarHBondContact O-N 2.93Å; T114-K116 VanDerWaalsContact O-N 3.17Å |
| 117 | S | 70.3 | Confident | 71.8 | Confident | 54 Ų | 54 | 55.9 Ų | 55.9 | 38% | 0.378 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 132.7 | 178.8 | 53.9 | 0 | 0 | 0 | 0 | 112.8 | T106 K107 | T106-S117 CarbonylContact C-O 3.55Å; T106-S117 VanDerWaalsContact CA-O 3.23Å; T106-S117 WeakPolarHBondContact CA-O 3.23Å; T106-S117 WeakPolarHBondContact CB-O 3.27Å; K107-S117 WeakPolarHBondContact CG-OG 3.35Å; K107-S117 PolarHBondContact N-O 3.2Å; K107-S117 PolarHBondContact O-N 2.83Å |
| 118 | E | 73.6 | Confident | 71.5 | Confident | 79 Ų | 79 | 58.5 Ų | 58.5 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 121.7 | 175 | -69.5 | 170.8 | -152 | 0 | 0 | 109.8 | V104 T106 S147 C148 | V104-E118 HydrophobicContact CG1-CG 4.12Å; T106-E118 HydrophobicContact CG2-CG 4.16Å; E118-S147 WeakPolarHBondContact OE2-CA 3.29Å; E118-S147 WeakPolarHBondContact OE2-CB 3.38Å; E118-S147 PolarHBondContact OE2-OG 2.72Å; E118-C148 PolarHBondContact OE2-N 2.74Å |
| 119 | I | 76.1 | Confident | 71.3 | Confident | 31 Ų | 31 | 58.9 Ų | 58.9 | 16% | 0.159 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -40.5 | 174.9 | -67 | 168.7 | 0 | 0 | 0 | 109.7 | Y46 L105 K107 | Y46-I119 HydrophobicContact CD1-CD1 3.61Å; Y46-I119 HydrophobicContact CE1-CD1 3.66Å; L105-I119 HydrophobicContact CD2-CB 4.47Å; L105-I119 HydrophobicContact CD2-CD1 4.27Å; L105-I119 HydrophobicContact CD2-CG2 4.37Å; L105-I119 HydrophobicContact CG-CB 4.44Å; L105-I119 HydrophobicContact CG-CD1 4.18Å; L105-I119 PolarHBondContact O-N 2.61Å; K107-I119 HydrophobicContact CB-CD1 3.91Å; K107-I119 HydrophobicContact CB-CG1 4.44Å; K107-I119 HydrophobicContact CD-CD1 4.2Å; K107-I119 HydrophobicContact CD-CG1 4.35Å; K107-I119 HydrophobicContact CG-CD1 4.01Å; K107-I119 HydrophobicContact CG-CG1 4.06Å |
| 120 | G | 80.6 | Confident | 71.4 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.9 | -179.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L105 L144 | L105-G120 PolarHBondContact N-O 2.8Å; G120-L144 CarbonylContact C-O 3.54Å; G120-L144 WeakPolarHBondContact CA-O 3.4Å |
| 121 | W | 85.5 | Confident | 71.7 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.008 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 159.4 | 179.4 | 60.8 | -82.6 | 0 | 0 | 0 | 111.2 | V102 F103 V104 L144 S147 C148 L150 L151 L162 | V102-W121 HydrophobicContact CG1-CE3 4.34Å; F103-W121 CarbonylContact O-C 3.57Å; F103-W121 WeakPolarHBondContact O-CA 3.33Å; F103-W121 VanDerWaalsContact O-CB 3.23Å; F103-W121 WeakPolarHBondContact O-CB 3.44Å; V104-W121 HydrophobicContact CG2-CB 4.07Å; W121-L144 HydrophobicContact CE3-CD1 4.27Å; W121-L144 HydrophobicContact CH2-CD1 3.74Å; W121-L144 HydrophobicContact CZ2-CD1 3.99Å; W121-L144 HydrophobicContact CZ3-CD1 3.88Å; W121-L144 PolarHBondContact N-O 3.37Å; W121-L144 WeakPolarHBondContact O-CB 3.41Å; W121-L144 PolarHBondContact O-N 3.14Å; W121-S147 VanDerWaalsContact CD1-C 3.46Å; W121-S147 PolarHBondContact NE1-O 3.4Å; W121-S147 VanDerWaalsContact NE1-O 3.13Å; W121-C148 HydrophobicContact CB-CB 3.99Å; W121-C148 VanDerWaalsContact CD1-N 3.34Å; W121-C148 HydrophobicContact CD2-CB 4.25Å; W121-C148 HydrophobicContact CG-CB 3.79Å; W121-L150 HydrophobicContact CZ2-CB 4.28Å; W121-L151 HydrophobicContact CE3-CD1 4.21Å; W121-L151 HydrophobicContact CE3-CG 4.42Å; W121-L151 HydrophobicContact CH2-CD2 3.7Å; W121-L151 HydrophobicContact CH2-CG 3.87Å; W121-L151 HydrophobicContact CZ2-CG 4.46Å; W121-L151 HydrophobicContact CZ3-CD1 4.02Å; W121-L151 HydrophobicContact CZ3-CD2 3.67Å; W121-L151 HydrophobicContact CZ3-CG 3.85Å; W121-L162 HydrophobicContact CZ2-CD2 4.05Å |
| 122 | C | 85.5 | Confident | 71.9 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.02 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 159.9 | 167.2 | 73.5 | 0 | 0 | 0 | 0 | 110.3 | V102 F103 P142 | V102-C122 WeakPolarHBondContact CA-O 3.26Å; F103-C122 PolarHBondContact N-O 2.86Å; F103-C122 PolarHBondContact O-N 3.01Å; C122-P142 VanDerWaalsContact CB-O 3.25Å; C122-P142 WeakPolarHBondContact CB-O 3.35Å |
| 123 | S | 85.3 | Confident | 71.5 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 29% | 0.287 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 139.7 | 176.8 | 60.1 | 0 | 0 | 0 | 0 | 112.1 | F101 | F101-S123 CarbonylContact O-C 3.53Å; F101-S123 WeakPolarHBondContact O-CA 3.45Å |
| 124 | V | 84.2 | Confident | 71.3 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.03 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 119.7 | -177.3 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | L100 F101 F103 I126 V129 Y172 | L100-V124 WeakPolarHBondContact CA-O 3.19Å; F101-V124 HydrophobicContact CB-CB 4.46Å; F101-V124 PolarHBondContact N-O 2.82Å; F101-V124 PolarHBondContact O-N 3.28Å; F103-V124 HydrophobicContact CD2-CG2 4.28Å; F103-V124 HydrophobicContact CE2-CG2 3.8Å; V124-I126 PolarHBondContact O-N 2.87Å; V124-V129 HydrophobicContact CG1-CG2 3.95Å; V124-Y172 HydrophobicContact CG1-CE2 3.92Å; V124-Y172 WeakPolarHBondContact CG1-OH 2.99Å; V124-Y172 HydrophobicContact CG2-CE1 3.88Å; V124-Y172 HydrophobicContact CG2-CE2 4.24Å; V124-Y172 WeakPolarHBondContact CG2-OH 3.11Å |
| 125 | K | 82.3 | Confident | 70.8 | Confident | 104 Ų | 104 | 64.4 Ų | 64.4 | 45% | 0.452 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 104.3 | 174.3 | -66.7 | 165.3 | 177.7 | 173.6 | 0 | 109.6 | L100 N127 E128 V129 | L100-K125 HydrophobicContact CD2-CB 4.19Å; L100-K125 HydrophobicContact CD2-CG 3.43Å; L100-K125 VanDerWaalsContact CD2-CG 3.43Å; K125-N127 VanDerWaalsContact C-N 3.26Å; K125-N127 PolarHBondContact O-N 2.81Å; K125-E128 HydrophobicContact CB-CB 4.17Å; K125-E128 HydrophobicContact CB-CG 4.23Å; K125-E128 HydrophobicContact CD-CG 4.08Å; K125-E128 WeakPolarHBondContact CD-OE1 3.34Å; K125-E128 WeakPolarHBondContact CD-OE2 3.24Å; K125-E128 WeakPolarHBondContact CE-OE1 3.32Å; K125-E128 IonicContact NZ-OE1 2.77Å; K125-E128 PolarHBondContact NZ-OE1 3.01Å; K125-E128 IonicContact NZ-OE2 2.69Å; K125-E128 PolarHBondContact NZ-OE2 3.03Å; K125-E128 PolarHBondContact O-N 3.14Å; K125-E128 VanDerWaalsContact O-N 3.08Å; K125-V129 PolarHBondContact O-N 3.27Å |
| 126 | I | 77.3 | Confident | 70.5 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -49.7 | -48.4 | -177.8 | -57.2 | 173.5 | 0 | 0 | 0 | 111.3 | L25 V95 T99 F101 V124 E128 V129 I130 L174 | L25-I126 HydrophobicContact CD1-CD1 4.41Å; L25-I126 HydrophobicContact CD1-CG2 3.54Å; V95-I126 HydrophobicContact CG1-CB 4.26Å; V95-I126 HydrophobicContact CG1-CD1 4.26Å; V95-I126 HydrophobicContact CG1-CG2 3.9Å; T99-I126 HydrophobicContact CG2-CD1 3.59Å; F101-I126 HydrophobicContact CD1-CD1 3.56Å; F101-I126 HydrophobicContact CD1-CG1 4.03Å; F101-I126 HydrophobicContact CD2-CD1 4.49Å; F101-I126 HydrophobicContact CD2-CG1 4.27Å; F101-I126 HydrophobicContact CE1-CD1 3.34Å; F101-I126 HydrophobicContact CE1-CG1 4.13Å; F101-I126 HydrophobicContact CE2-CD1 4.32Å; F101-I126 HydrophobicContact CE2-CG1 4.36Å; F101-I126 HydrophobicContact CG-CD1 4.15Å; F101-I126 HydrophobicContact CG-CG1 4.1Å; F101-I126 HydrophobicContact CZ-CD1 3.76Å; F101-I126 HydrophobicContact CZ-CG1 4.29Å; V124-I126 PolarHBondContact O-N 2.87Å; I126-E128 VanDerWaalsContact C-N 3.3Å; I126-E128 PolarHBondContact O-N 2.94Å; I126-V129 PolarHBondContact O-N 3.13Å; I126-I130 HydrophobicContact CG2-CD1 3.53Å; I126-I130 HydrophobicContact CG2-CG1 4.37Å; I126-I130 WeakPolarHBondContact O-CG1 3.47Å; I126-I130 PolarHBondContact O-N 2.91Å; I126-I130 VanDerWaalsContact O-N 3.13Å; I126-L174 HydrophobicContact CG2-CD2 4.36Å |
| 127 | N | 73.2 | Confident | 70.1 | Confident | 19 Ų | 19 | 62.1 Ų | 62.1 | 10% | 0.102 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.8 | -15.9 | -174.4 | -128 | -68 | 0 | 0 | 0 | 114.3 | K125 R131 | K125-N127 VanDerWaalsContact C-N 3.26Å; K125-N127 PolarHBondContact O-N 2.81Å; N127-R131 WeakPolarHBondContact O-CD 3.33Å; N127-R131 WeakPolarHBondContact O-CG 3.47Å; N127-R131 PolarHBondContact O-NE 3.01Å; N127-R131 PolarHBondContact OD1-NE 2.85Å; N127-R131 PolarHBondContact OD1-NH2 2.92Å |
| 128 | E | 73.3 | Confident | 70.1 | Confident | 120 Ų | 120 | 62.8 Ų | 62.8 | 56% | 0.561 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -84.8 | -35.2 | 172.8 | -74.3 | 180 | -171.5 | 0 | 0 | 111.1 | K125 I126 | K125-E128 HydrophobicContact CB-CB 4.17Å; K125-E128 HydrophobicContact CB-CG 4.23Å; K125-E128 HydrophobicContact CD-CG 4.08Å; K125-E128 WeakPolarHBondContact CD-OE1 3.34Å; K125-E128 WeakPolarHBondContact CD-OE2 3.24Å; K125-E128 WeakPolarHBondContact CE-OE1 3.32Å; K125-E128 IonicContact NZ-OE1 2.77Å; K125-E128 PolarHBondContact NZ-OE1 3.01Å; K125-E128 IonicContact NZ-OE2 2.69Å; K125-E128 PolarHBondContact NZ-OE2 3.03Å; K125-E128 PolarHBondContact O-N 3.14Å; K125-E128 VanDerWaalsContact O-N 3.08Å; I126-E128 VanDerWaalsContact C-N 3.3Å; I126-E128 PolarHBondContact O-N 2.94Å |
| 129 | V | 68.3 | Low | 70.3 | Confident | 25 Ų | 25 | 60.6 Ų | 60.6 | 15% | 0.152 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.3 | -49.6 | 177.9 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | V124 K125 I126 R131 S132 L174 | V124-V129 HydrophobicContact CG1-CG2 3.95Å; K125-V129 PolarHBondContact O-N 3.27Å; I126-V129 PolarHBondContact O-N 3.13Å; V129-R131 PolarHBondContact O-N 2.77Å; V129-R131 VanDerWaalsContact O-N 3.12Å; V129-S132 WeakPolarHBondContact O-CB 3.42Å; V129-S132 PolarHBondContact O-N 3.11Å; V129-S132 PolarHBondContact O-OG 3.05Å; V129-L174 HydrophobicContact CB-CD2 4.24Å; V129-L174 HydrophobicContact CG1-CB 4.15Å; V129-L174 HydrophobicContact CG1-CD2 4.35Å |
| 130 | I | 69.3 | Low | 70.7 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 24% | 0.236 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -30.2 | -179.1 | -67.6 | 170.7 | 0 | 0 | 0 | 112.6 | L25 I126 L176 | L25-I130 HydrophobicContact CD2-CD1 3.63Å; L25-I130 HydrophobicContact CD2-CG1 4.42Å; I126-I130 HydrophobicContact CG2-CD1 3.53Å; I126-I130 HydrophobicContact CG2-CG1 4.37Å; I126-I130 WeakPolarHBondContact O-CG1 3.47Å; I126-I130 PolarHBondContact O-N 2.91Å; I126-I130 VanDerWaalsContact O-N 3.13Å; I130-L176 HydrophobicContact CD1-CD1 4.38Å; I130-L176 HydrophobicContact CG2-CD1 3.92Å |
| 131 | R | 67.3 | Low | 70.8 | Confident | 167 Ų | 167 | 63.5 Ų | 63.5 | 63% | 0.63 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -5.7 | -178.4 | -66 | 176.6 | -168.1 | -117.4 | -13.2 | 114 | N127 V129 | N127-R131 WeakPolarHBondContact O-CD 3.33Å; N127-R131 WeakPolarHBondContact O-CG 3.47Å; N127-R131 PolarHBondContact O-NE 3.01Å; N127-R131 PolarHBondContact OD1-NE 2.85Å; N127-R131 PolarHBondContact OD1-NH2 2.92Å; V129-R131 PolarHBondContact O-N 2.77Å; V129-R131 VanDerWaalsContact O-N 3.12Å |
| 132 | S | 63.5 | Low | 70.7 | Confident | 55 Ų | 55 | 66.3 Ų | 66.3 | 39% | 0.385 | 38% | 0.375 | S | S | . | . | trans | -76.8 | 124.5 | 177.8 | 69.1 | 0 | 0 | 0 | 0 | 110.4 | V129 S134 | V129-S132 WeakPolarHBondContact O-CB 3.42Å; V129-S132 PolarHBondContact O-N 3.11Å; V129-S132 PolarHBondContact O-OG 3.05Å; S132-S134 PolarHBondContact O-N 3.33Å | ||
| 133 | P | 48.8 | Very low | 70.6 | Confident | 136 Ų | 136 | 66.2 Ų | 66.2 | 88% | 0.883 | 38% | 0.375 | S | S | * | . | trans | -80.7 | 7.1 | -171.8 | 32.2 | -36.5 | 0 | 0 | 0 | 114.5 | ||||
| 134 | S | 52 | Low | 70.3 | Confident | 67 Ų | 67 | 65.8 Ų | 65.8 | 47% | 0.469 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -89 | 111.1 | -179.1 | 46 | 0 | 0 | 0 | 0 | 111.5 | S132 S136 | S132-S134 PolarHBondContact O-N 3.33Å; S134-S136 PolarHBondContact O-N 2.9Å |
| 135 | K | 46.7 | Very low | 69.7 | Low | 195 Ų | 195 | 72 Ų | 72 | 85% | 0.848 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 120.1 | 179.5 | -65.5 | -178.8 | 176.9 | -177 | 0 | 112.7 | S137 | K135-S137 PolarHBondContact O-N 3.01Š|
| 136 | S | 52.7 | Low | 69.2 | Low | 89 Ų | 89 | 68.7 Ų | 68.7 | 62% | 0.622 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 31.5 | 158.9 | 64.4 | 0 | 0 | 0 | 0 | 116.7 | S134 | S134-S136 PolarHBondContact O-N 2.9Š|
| 137 | S | 56.6 | Low | 69.2 | Low | 66 Ų | 66 | 70.6 Ų | 70.6 | 46% | 0.462 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 124.6 | 174 | 54.2 | 0 | 0 | 0 | 0 | 110.1 | K135 C139 | K135-S137 PolarHBondContact O-N 3.01Å; S137-C139 PolarHBondContact O-N 3.09Å |
| 138 | S | 69.8 | Low | 69.4 | Low | 69 Ų | 69 | 70 Ų | 70 | 48% | 0.483 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 121.4 | 178.7 | 52.1 | 0 | 0 | 0 | 0 | 111.7 | Y172 | S138-Y172 CarbonylContact C-O 3.58Š|
| 139 | C | 78.6 | Confident | 69.3 | Low | 33 Ų | 33 | 69.7 Ų | 69.7 | 22% | 0.223 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 152.9 | 173.2 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | S137 Y171 Y172 | S137-C139 PolarHBondContact O-N 3.09Å; C139-Y171 WeakPolarHBondContact O-CA 3.47Å; C139-Y172 HydrophobicContact CB-CD2 4.11Å; C139-Y172 HydrophobicContact CB-CE1 4.02Å; C139-Y172 HydrophobicContact CB-CE2 3.52Å; C139-Y172 VanDerWaalsContact CB-CZ 3.45Å; C139-Y172 PolarHBondContact N-O 3.07Å; C139-Y172 PolarHBondContact O-N 2.76Å |
| 140 | S | 84.1 | Confident | 69.5 | Low | 74 Ų | 74 | 70.5 Ų | 70.5 | 52% | 0.517 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 142.4 | 171.2 | 56.8 | 0 | 0 | 0 | 0 | 110 | I170 | S140-I170 CarbonylContact C-O 3.57Å; S140-I170 VanDerWaalsContact CA-O 3.29Å; S140-I170 WeakPolarHBondContact CA-O 3.28Å |
| 141 | S | 82.8 | Confident | 69.7 | Low | 18 Ų | 18 | 68.4 Ų | 68.4 | 13% | 0.126 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 130 | 172.6 | -74.3 | 0 | 0 | 0 | 0 | 111.3 | C169 I170 Y172 | S141-C169 WeakPolarHBondContact O-CA 3.39Å; S141-I170 PolarHBondContact N-O 2.89Å; S141-I170 PolarHBondContact O-N 3.22Å; S141-Y172 PolarHBondContact OG-OH 3.01Å |
| 142 | P | 83.3 | Confident | 69.8 | Low | 61 Ų | 61 | 64 Ų | 64 | 40% | 0.396 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 150.3 | 173.8 | 32.8 | -34.5 | 0 | 0 | 0 | 111.4 | C122 H168 | C122-P142 VanDerWaalsContact CB-O 3.25Å; C122-P142 WeakPolarHBondContact CB-O 3.35Å; P142-H168 CarbonylContact C-O 3.59Å; P142-H168 WeakPolarHBondContact CA-O 3.38Å |
| 143 | F | 83 | Confident | 70.1 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 0% | 0.004 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 140.2 | 173.1 | -76.2 | -105.5 | 0 | 0 | 0 | 111.1 | L32 L48 F103 L105 N165 H168 I170 | L32-F143 HydrophobicContact CD1-CD2 4.34Å; L32-F143 HydrophobicContact CD1-CE2 3.38Å; L32-F143 HydrophobicContact CD1-CZ 3.79Å; L48-F143 HydrophobicContact CD1-CE1 4.45Å; L48-F143 HydrophobicContact CD1-CZ 4.09Å; F103-F143 HydrophobicContact CB-CE1 4.47Å; F103-F143 HydrophobicContact CB-CZ 4.39Å; L105-F143 HydrophobicContact CB-CD1 4.1Å; L105-F143 HydrophobicContact CB-CE1 3.68Å; L105-F143 HydrophobicContact CB-CZ 4.3Å; F143-N165 WeakPolarHBondContact O-CA 3.47Å; F143-N165 VanDerWaalsContact O-CB 3.3Å; F143-N165 WeakPolarHBondContact O-CB 3.05Å; F143-N165 PolarHBondContact O-N 2.82Å; F143-H168 HydrophobicContact CB-CB 3.94Å; F143-H168 HydrophobicContact CD2-CB 4.16Å; F143-H168 HydrophobicContact CG-CB 4.31Å; F143-H168 PolarHBondContact N-O 2.84Å; F143-I170 HydrophobicContact CE2-CB 3.83Å; F143-I170 HydrophobicContact CE2-CG2 3.92Å; F143-I170 HydrophobicContact CZ-CB 4.29Å; F143-I170 HydrophobicContact CZ-CG2 4.33Å |
| 144 | L | 78.5 | Confident | 70.7 | Confident | 32 Ų | 32 | 62.4 Ų | 62.4 | 17% | 0.168 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 137.3 | 173.7 | -57.1 | 164.7 | 0 | 0 | 0 | 108.7 | G120 W121 L162 T164 | G120-L144 CarbonylContact C-O 3.54Å; G120-L144 WeakPolarHBondContact CA-O 3.4Å; W121-L144 HydrophobicContact CE3-CD1 4.27Å; W121-L144 HydrophobicContact CH2-CD1 3.74Å; W121-L144 HydrophobicContact CZ2-CD1 3.99Å; W121-L144 HydrophobicContact CZ3-CD1 3.88Å; W121-L144 PolarHBondContact N-O 3.37Å; W121-L144 WeakPolarHBondContact O-CB 3.41Å; W121-L144 PolarHBondContact O-N 3.14Å; L144-L162 HydrophobicContact CB-CD2 4.08Å; L144-L162 HydrophobicContact CD1-CD1 4.17Å; L144-L162 HydrophobicContact CD1-CD2 4.49Å; L144-L162 HydrophobicContact CD2-CB 4.38Å; L144-T164 HydrophobicContact CD2-CG2 4.1Å |
| 145 | K | 73.3 | Confident | 71.3 | Confident | 136 Ų | 136 | 61.7 Ų | 61.7 | 59% | 0.591 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -80 | 133.3 | 179.9 | -168.1 | 174.1 | -178 | 176.6 | 0 | 111.1 | A163 N165 | K145-A163 PolarHBondContact N-O 3.26Å; K145-A163 VanDerWaalsContact N-O 3.17Å; K145-N165 HydrophobicContact CB-CB 4.47Å |
| 146 | G | 71.8 | Confident | 71.9 | Confident | 33 Ų | 33 | 60.8 Ų | 60.8 | 34% | 0.34 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 123 | -173 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 147 | S | 76.3 | Confident | 72.1 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 28% | 0.28 | 34% | 0.344 | S | S | . | . | trans | -89.3 | 145 | -179.3 | 179.9 | 0 | 0 | 0 | 0 | 112.7 | E118 W121 R149 L150 | E118-S147 WeakPolarHBondContact OE2-CA 3.29Å; E118-S147 WeakPolarHBondContact OE2-CB 3.38Å; E118-S147 PolarHBondContact OE2-OG 2.72Å; W121-S147 VanDerWaalsContact CD1-C 3.46Å; W121-S147 PolarHBondContact NE1-O 3.4Å; W121-S147 VanDerWaalsContact NE1-O 3.13Å; S147-R149 PolarHBondContact O-N 2.94Å; S147-R149 VanDerWaalsContact O-N 3.14Å; S147-R149 PolarHBondContact OG-N 3.4Å; S147-L150 WeakPolarHBondContact O-CG 3.35Å; S147-L150 PolarHBondContact O-N 3.24Å | ||
| 148 | C | 76.5 | Confident | 72.3 | Confident | 8 Ų | 8 | 56.8 Ų | 56.8 | 5% | 0.054 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -64.3 | -15.9 | 177.3 | 69.1 | 0 | 0 | 0 | 0 | 113.3 | V104 E118 W121 L150 L151 | V104-C148 HydrophobicContact CG2-CB 3.85Å; E118-C148 PolarHBondContact OE2-N 2.74Å; W121-C148 HydrophobicContact CB-CB 3.99Å; W121-C148 VanDerWaalsContact CD1-N 3.34Å; W121-C148 HydrophobicContact CD2-CB 4.25Å; W121-C148 HydrophobicContact CG-CB 3.79Å; C148-L150 PolarHBondContact O-N 2.98Å; C148-L151 WeakPolarHBondContact O-CB 3.32Å; C148-L151 PolarHBondContact O-N 3.48Å |
| 149 | R | 71.5 | Confident | 71.7 | Confident | 112 Ų | 112 | 59 Ų | 59 | 42% | 0.423 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -54.5 | -20.4 | 172.5 | -71.4 | 179 | 167.1 | -176 | -4 | 113.7 | T3 W5 S147 L151 C152 | T3-R149 PolarHBondContact OG1-NH1 3.25Å; T3-R149 PolarHBondContact OG1-NH2 3.13Å; W5-R149 HydrophobicContact CZ2-CG 4.15Å; S147-R149 PolarHBondContact O-N 2.94Å; S147-R149 VanDerWaalsContact O-N 3.14Å; S147-R149 PolarHBondContact OG-N 3.4Å; R149-L151 PolarHBondContact O-N 3.13Å; R149-C152 PolarHBondContact O-N 3.38Å |
| 150 | L | 73.6 | Confident | 70.6 | Confident | 42 Ų | 42 | 62.9 Ų | 62.9 | 22% | 0.22 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -59.3 | -24.6 | 172.7 | -68.9 | 172.6 | 0 | 0 | 0 | 113.4 | W121 S147 C148 C152 L153 L162 | W121-L150 HydrophobicContact CZ2-CB 4.28Å; S147-L150 WeakPolarHBondContact O-CG 3.35Å; S147-L150 PolarHBondContact O-N 3.24Å; C148-L150 PolarHBondContact O-N 2.98Å; L150-C152 PolarHBondContact O-N 2.89Å; L150-L153 HydrophobicContact CD2-CD1 3.79Å; L150-L153 WeakPolarHBondContact O-CB 3.43Å; L150-L153 PolarHBondContact O-N 2.92Å; L150-L162 HydrophobicContact CD1-CD2 3.75Å |
| 151 | L | 72 | Confident | 69.1 | Low | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -63.4 | -20.8 | 176.1 | -72.5 | 169.7 | 0 | 0 | 0 | 113.9 | F53 K58 L100 V102 W121 C148 R149 L153 | F53-L151 HydrophobicContact CD1-CB 4.49Å; F53-L151 HydrophobicContact CE1-CB 3.98Å; F53-L151 HydrophobicContact CZ-CB 4.11Å; K58-L151 PolarHBondContact NZ-O 3.14Å; L100-L151 HydrophobicContact CD1-CD2 4.25Å; V102-L151 HydrophobicContact CB-CD1 4.29Å; V102-L151 HydrophobicContact CG1-CD1 3.68Å; V102-L151 HydrophobicContact CG2-CD1 3.57Å; W121-L151 HydrophobicContact CE3-CD1 4.21Å; W121-L151 HydrophobicContact CE3-CG 4.42Å; W121-L151 HydrophobicContact CH2-CD2 3.7Å; W121-L151 HydrophobicContact CH2-CG 3.87Å; W121-L151 HydrophobicContact CZ2-CG 4.46Å; W121-L151 HydrophobicContact CZ3-CD1 4.02Å; W121-L151 HydrophobicContact CZ3-CD2 3.67Å; W121-L151 HydrophobicContact CZ3-CG 3.85Å; C148-L151 WeakPolarHBondContact O-CB 3.32Å; C148-L151 PolarHBondContact O-N 3.48Å; R149-L151 PolarHBondContact O-N 3.13Å; L151-L153 VanDerWaalsContact C-N 3.25Å; L151-L153 PolarHBondContact O-N 2.95Å |
| 152 | C | 70.7 | Confident | 67.7 | Low | 74 Ų | 74 | 67.7 Ų | 67.7 | 50% | 0.5 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -73.7 | -15.9 | 174.6 | -62.9 | 0 | 0 | 0 | 0 | 112.9 | R149 L150 | R149-C152 PolarHBondContact O-N 3.38Å; L150-C152 PolarHBondContact O-N 2.89Å |
| 153 | L | 68.7 | Low | 66.5 | Low | 73 Ų | 73 | 67.7 Ų | 67.7 | 38% | 0.382 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -77.8 | 160.7 | 177.5 | -60.6 | 176.2 | 0 | 0 | 0 | 112.2 | K58 L150 L151 A157 | K58-L153 PolarHBondContact NZ-O 2.98Å; L150-L153 HydrophobicContact CD2-CD1 3.79Å; L150-L153 WeakPolarHBondContact O-CB 3.43Å; L150-L153 PolarHBondContact O-N 2.92Å; L151-L153 VanDerWaalsContact C-N 3.25Å; L151-L153 PolarHBondContact O-N 2.95Å; L153-A157 HydrophobicContact CB-CB 4.43Å |
| 154 | P | 62.8 | Low | 65.3 | Low | 85 Ų | 85 | 71.6 Ų | 71.6 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | trans | -57.2 | 144.6 | 168.1 | -23.6 | 34.9 | 0 | 0 | 0 | 111.7 | E156 A157 | P154-E156 PolarHBondContact O-N 2.8Å; P154-E156 VanDerWaalsContact O-N 3.09Å; P154-A157 WeakPolarHBondContact O-CB 3.32Å; P154-A157 PolarHBondContact O-N 3.05Å | ||
| 155 | S | 63.6 | Low | 64.5 | Low | 52 Ų | 52 | 71.7 Ų | 71.7 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.3 | -25.9 | -174.4 | -50.8 | 0 | 0 | 0 | 0 | 114.3 | A157 N159 | S155-A157 VanDerWaalsContact C-N 3.33Å; S155-N159 PolarHBondContact O-ND2 2.91Å |
| 156 | E | 59.7 | Low | 63.8 | Low | 176 Ų | 176 | 72.5 Ų | 72.5 | 82% | 0.822 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -73.5 | -23.9 | 177.6 | -65.9 | 166.3 | -171.4 | 0 | 0 | 112.7 | P154 | P154-E156 PolarHBondContact O-N 2.8Å; P154-E156 VanDerWaalsContact O-N 3.09Å |
| 157 | A | 55.9 | Low | 63.7 | Low | 37 Ų | 37 | 75.2 Ų | 75.2 | 31% | 0.306 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -87.1 | -38.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L153 P154 S155 F161 | L153-A157 HydrophobicContact CB-CB 4.43Å; P154-A157 WeakPolarHBondContact O-CB 3.32Å; P154-A157 PolarHBondContact O-N 3.05Å; S155-A157 VanDerWaalsContact C-N 3.33Å; A157-F161 VanDerWaalsContact O-CD2 3.27Å; A157-F161 WeakPolarHBondContact O-CD2 3.34Å |
| 158 | Y | 61.2 | Low | 63.9 | Low | 34 Ų | 34 | 73.8 Ų | 73.8 | 13% | 0.133 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -79.3 | -28.5 | -172.7 | 61.3 | -115.5 | 0 | 0 | 0 | 114 | T160 F161 L162 | Y158-T160 PolarHBondContact O-N 2.83Å; Y158-F161 PolarHBondContact O-N 3.29Å; Y158-L162 HydrophobicContact CD2-CD1 3.67Å; Y158-L162 HydrophobicContact CE2-CD1 4.47Å; Y158-L162 HydrophobicContact CG-CD1 4.44Å; Y158-L162 WeakPolarHBondContact O-CD1 3.35Å; Y158-L162 WeakPolarHBondContact O-CG 3.43Å |
| 159 | N | 58.5 | Low | 64.3 | Low | 115 Ų | 115 | 74.8 Ų | 74.8 | 62% | 0.615 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -25.4 | -179.2 | -72.9 | -27 | 0 | 0 | 0 | 113.1 | S155 | S155-N159 PolarHBondContact O-ND2 2.91Š|
| 160 | T | 54.7 | Low | 65.1 | Low | 115 Ų | 115 | 69.5 Ų | 69.5 | 71% | 0.706 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -12.5 | -179.8 | -25.4 | 0 | 0 | 0 | 0 | 114.1 | Y158 | Y158-T160 PolarHBondContact O-N 2.83Š|
| 161 | F | 51.8 | Low | 65.7 | Low | 159 Ų | 159 | 70.3 Ų | 70.3 | 70% | 0.697 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.1 | -2.8 | -173.5 | -67.8 | -75.1 | 0 | 0 | 0 | 114.5 | A157 Y158 | A157-F161 VanDerWaalsContact O-CD2 3.27Å; A157-F161 WeakPolarHBondContact O-CD2 3.34Å; Y158-F161 PolarHBondContact O-N 3.29Å |
| 162 | L | 55.2 | Low | 66.5 | Low | 34 Ų | 34 | 70.7 Ų | 70.7 | 18% | 0.178 | 39% | 0.389 | C | S | . | . | trans | -98.7 | 107.3 | -170.9 | -65.4 | 164.7 | 0 | 0 | 0 | 111.5 | W121 L144 L150 Y158 | W121-L162 HydrophobicContact CZ2-CD2 4.05Å; L144-L162 HydrophobicContact CB-CD2 4.08Å; L144-L162 HydrophobicContact CD1-CD1 4.17Å; L144-L162 HydrophobicContact CD1-CD2 4.49Å; L144-L162 HydrophobicContact CD2-CB 4.38Å; L150-L162 HydrophobicContact CD1-CD2 3.75Å; Y158-L162 HydrophobicContact CD2-CD1 3.67Å; Y158-L162 HydrophobicContact CE2-CD1 4.47Å; Y158-L162 HydrophobicContact CG-CD1 4.44Å; Y158-L162 WeakPolarHBondContact O-CD1 3.35Å; Y158-L162 WeakPolarHBondContact O-CG 3.43Å | ||
| 163 | A | 56.4 | Low | 67.1 | Low | 61 Ų | 61 | 67.5 Ų | 67.5 | 50% | 0.504 | 37% | 0.367 | S | S | . | . | trans | -78.4 | 123.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | K145 N165 | K145-A163 PolarHBondContact N-O 3.26Å; K145-A163 VanDerWaalsContact N-O 3.17Å; A163-N165 PolarHBondContact O-N 2.8Å | ||
| 164 | T | 58.5 | Low | 67.8 | Low | 84 Ų | 84 | 64.6 Ų | 64.6 | 52% | 0.515 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 127.5 | 168.9 | 37.5 | 0 | 0 | 0 | 0 | 109.5 | L144 E166 | L144-T164 HydrophobicContact CD2-CG2 4.1Å; T164-E166 PolarHBondContact O-N 3.05Å |
| 165 | N | 61 | Low | 68.5 | Low | 34 Ų | 34 | 63.5 Ų | 63.5 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 74.3 | 177 | -164.4 | 15.8 | 0 | 0 | 0 | 108.1 | F143 K145 A163 N167 H168 | F143-N165 WeakPolarHBondContact O-CA 3.47Å; F143-N165 VanDerWaalsContact O-CB 3.3Å; F143-N165 WeakPolarHBondContact O-CB 3.05Å; F143-N165 PolarHBondContact O-N 2.82Å; K145-N165 HydrophobicContact CB-CB 4.47Å; A163-N165 PolarHBondContact O-N 2.8Å; N165-N167 PolarHBondContact O-N 3.27Å; N165-H168 PolarHBondContact ND2-ND1 3.06Å; N165-H168 PolarHBondContact O-N 2.92Å |
| 166 | E | 59.7 | Low | 69.2 | Low | 153 Ų | 153 | 64.3 Ų | 64.3 | 72% | 0.715 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.3 | -23 | -175.5 | -62.2 | -178.8 | 175.1 | 0 | 0 | 113.2 | T164 H168 | T164-E166 PolarHBondContact O-N 3.05Å; E166-H168 PolarHBondContact O-N 3.08Å; E166-H168 VanDerWaalsContact O-N 3.15Å |
| 167 | N | 70 | Confident | 69.6 | Low | 89 Ų | 89 | 57.4 Ų | 57.4 | 48% | 0.476 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | -3.4 | 171.1 | -71.8 | 12.4 | 0 | 0 | 0 | 115.5 | Y35 N165 | Y35-N167 WeakPolarHBondContact CD2-O 3.34Å; Y35-N167 PolarHBondContact N-O 2.64Å; N165-N167 PolarHBondContact O-N 3.27Å |
| 168 | H | 80.4 | Confident | 70.2 | Confident | 11 Ų | 11 | 63 Ų | 63 | 5% | 0.051 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 119.6 | -174.5 | -68.3 | 67.8 | 0 | 0 | 0 | 111.3 | E33 C34 F36 P142 F143 N165 E166 | E33-H168 WeakPolarHBondContact O-CA 3.24Å; C34-H168 PolarHBondContact SG-CD2 2.85Å; F36-H168 AromaticContact CE1-NE2 3.62Å; P142-H168 CarbonylContact C-O 3.59Å; P142-H168 WeakPolarHBondContact CA-O 3.38Å; F143-H168 HydrophobicContact CB-CB 3.94Å; F143-H168 HydrophobicContact CD2-CB 4.16Å; F143-H168 HydrophobicContact CG-CB 4.31Å; F143-H168 PolarHBondContact N-O 2.84Å; N165-H168 PolarHBondContact ND2-ND1 3.06Å; N165-H168 PolarHBondContact O-N 2.92Å; E166-H168 PolarHBondContact O-N 3.08Å; E166-H168 VanDerWaalsContact O-N 3.15Å |
| 169 | C | 85.4 | Confident | 70.3 | Confident | 29 Ų | 29 | 67 Ų | 67 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 137.9 | -177.9 | -68.1 | 0 | 0 | 0 | 0 | 113.3 | E33 S141 Y171 | E33-C169 PolarHBondContact N-O 3.08Å; E33-C169 PolarHBondContact O-N 3.45Å; S141-C169 WeakPolarHBondContact O-CA 3.39Å; C169-Y171 HydrophobicContact CB-CE2 4.2Å |
| 170 | I | 86.8 | Confident | 70.6 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 140.7 | 170 | -174.2 | 169.5 | 0 | 0 | 0 | 110.9 | I29 L32 L48 F103 S140 S141 F143 Y172 | I29-I170 HydrophobicContact CG2-CD1 3.91Å; I29-I170 HydrophobicContact CG2-CG1 4.08Å; L32-I170 HydrophobicContact CD1-CB 4Å; L48-I170 HydrophobicContact CD2-CD1 3.99Å; F103-I170 HydrophobicContact CD1-CD1 3.61Å; F103-I170 HydrophobicContact CE1-CD1 3.81Å; F103-I170 HydrophobicContact CG-CD1 4.02Å; F103-I170 HydrophobicContact CZ-CD1 4.39Å; S140-I170 CarbonylContact C-O 3.57Å; S140-I170 VanDerWaalsContact CA-O 3.29Å; S140-I170 WeakPolarHBondContact CA-O 3.28Å; S141-I170 PolarHBondContact N-O 2.89Å; S141-I170 PolarHBondContact O-N 3.22Å; F143-I170 HydrophobicContact CE2-CB 3.83Å; F143-I170 HydrophobicContact CE2-CG2 3.92Å; F143-I170 HydrophobicContact CZ-CB 4.29Å; F143-I170 HydrophobicContact CZ-CG2 4.33Å; I170-Y172 HydrophobicContact CG2-CD1 4.35Å |
| 171 | Y | 86.9 | Confident | 71.2 | Confident | 60 Ų | 60 | 60.6 Ų | 60.6 | 24% | 0.235 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.8 | 177.5 | -60.8 | -98.6 | 0 | 0 | 0 | 111.3 | K30 H31 E33 C139 C169 | K30-Y171 PolarHBondContact N-O 3.11Å; H31-Y171 AromaticContact CD2-CD2 3.51Å; H31-Y171 AromaticContact CD2-CE2 3.9Å; H31-Y171 AromaticContact CE1-CD2 3.74Å; H31-Y171 AromaticContact CE1-CG 3.55Å; H31-Y171 PolarHBondContact N-O 3.22Å; H31-Y171 AromaticContact NE2-CD2 3.32Å; H31-Y171 VanDerWaalsContact NE2-CD2 3.32Å; H31-Y171 WeakPolarHBondContact NE2-CD2 3.33Å; H31-Y171 AromaticContact NE2-CE2 3.62Å; H31-Y171 AromaticContact NE2-CG 3.58Å; H31-Y171 PolarHBondContact O-N 3.18Å; E33-Y171 HydrophobicContact CB-CE2 4.27Å; E33-Y171 HydrophobicContact CG-CD2 4.48Å; E33-Y171 HydrophobicContact CG-CE2 3.81Å; E33-Y171 VanDerWaalsContact OE2-CE2 3.24Å; E33-Y171 WeakPolarHBondContact OE2-CE2 3.48Å; E33-Y171 PolarHBondContact OE2-OH 3.28Å; C139-Y171 WeakPolarHBondContact O-CA 3.47Å; C169-Y171 HydrophobicContact CB-CE2 4.2Å |
| 172 | Y | 88 | Confident | 71.8 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 4% | 0.039 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 159.6 | -171.8 | 61.7 | -86.8 | 0 | 0 | 0 | 113.1 | L27 E28 V124 S138 C139 S141 I170 L174 | L27-Y172 HydrophobicContact CD1-CD2 4.15Å; L27-Y172 HydrophobicContact CD1-CG 4.42Å; E28-Y172 CarbonylContact O-C 3.57Å; E28-Y172 WeakPolarHBondContact O-CA 3.45Å; E28-Y172 WeakPolarHBondContact O-CB 3.24Å; V124-Y172 HydrophobicContact CG1-CE2 3.92Å; V124-Y172 WeakPolarHBondContact CG1-OH 2.99Å; V124-Y172 HydrophobicContact CG2-CE1 3.88Å; V124-Y172 HydrophobicContact CG2-CE2 4.24Å; V124-Y172 WeakPolarHBondContact CG2-OH 3.11Å; S138-Y172 CarbonylContact C-O 3.58Å; C139-Y172 HydrophobicContact CB-CD2 4.11Å; C139-Y172 HydrophobicContact CB-CE1 4.02Å; C139-Y172 HydrophobicContact CB-CE2 3.52Å; C139-Y172 VanDerWaalsContact CB-CZ 3.45Å; C139-Y172 PolarHBondContact N-O 3.07Å; C139-Y172 PolarHBondContact O-N 2.76Å; S141-Y172 PolarHBondContact OG-OH 3.01Å; I170-Y172 HydrophobicContact CG2-CD1 4.35Å; Y172-L174 HydrophobicContact CD2-CB 4.47Å |
| 173 | S | 83.9 | Confident | 72.4 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 147.5 | 162.4 | -37.5 | 0 | 0 | 0 | 0 | 108.7 | E28 K30 | E28-S173 PolarHBondContact N-O 2.85Å; E28-S173 PolarHBondContact O-N 2.81Å; E28-S173 WeakPolarHBondContact OE2-CB 3.49Å; E28-S173 PolarHBondContact OE2-OG 2.82Å; K30-S173 WeakPolarHBondContact CE-OG 3.33Å; K30-S173 PolarHBondContact NZ-OG 2.93Å |
| 174 | L | 83.6 | Confident | 72.9 | Confident | 13 Ų | 13 | 57 Ų | 57 | 7% | 0.068 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 103.8 | 171.4 | -179 | 67.7 | 0 | 0 | 0 | 109 | L25 R26 L27 F101 I126 V129 Y172 | L25-L174 HydrophobicContact CB-CD1 4.22Å; R26-L174 WeakPolarHBondContact O-CA 3.36Å; L27-L174 HydrophobicContact CB-CD1 4.08Å; L27-L174 HydrophobicContact CD1-CD1 4.36Å; F101-L174 HydrophobicContact CD2-CD1 4.45Å; F101-L174 HydrophobicContact CE2-CD1 3.85Å; I126-L174 HydrophobicContact CG2-CD2 4.36Å; V129-L174 HydrophobicContact CB-CD2 4.24Å; V129-L174 HydrophobicContact CG1-CB 4.15Å; V129-L174 HydrophobicContact CG1-CD2 4.35Å; Y172-L174 HydrophobicContact CD2-CB 4.47Å |
| 175 | D | 77.8 | Confident | 73.5 | Confident | 62 Ų | 62 | 55.5 Ų | 55.5 | 33% | 0.332 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 151.5 | -173.6 | -63.1 | -74.8 | 0 | 0 | 0 | 111.1 | R26 | R26-D175 PolarHBondContact N-O 3.32Å; R26-D175 PolarHBondContact O-N 2.63Å |
| 176 | L | 76.8 | Confident | 74 | Confident | 68 Ų | 68 | 53.9 Ų | 53.9 | 36% | 0.356 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 111.1 | -178.9 | -163.4 | 162.3 | 0 | 0 | 0 | 109.4 | E23 L25 I130 K178 | E23-L176 HydrophobicContact CB-CD1 4.31Å; E23-L176 HydrophobicContact CG-CD1 4.17Å; L25-L176 HydrophobicContact CD2-CB 4.39Å; L25-L176 HydrophobicContact CD2-CG 4.18Å; I130-L176 HydrophobicContact CD1-CD1 4.38Å; I130-L176 HydrophobicContact CG2-CD1 3.92Å; L176-K178 HydrophobicContact CD2-CG 4.41Å |
| 177 | L | 70 | Confident | 74.7 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | trans | -99.9 | 97.9 | -168.8 | -153.4 | 92.1 | 0 | 0 | 0 | 111.2 | N24 E179 L180 | N24-L177 PolarHBondContact O-N 3.1Å; L177-E179 VanDerWaalsContact C-N 3.29Å; L177-E179 HydrophobicContact CD2-CB 4.49Å; L177-E179 PolarHBondContact O-N 2.93Å; L177-L180 HydrophobicContact CB-CD1 4.28Å; L177-L180 HydrophobicContact CD2-CB 4.29Å; L177-L180 HydrophobicContact CD2-CD1 3.81Å; L177-L180 HydrophobicContact CD2-CG 3.76Å; L177-L180 WeakPolarHBondContact O-CB 3.44Å; L177-L180 PolarHBondContact O-N 3.01Å | ||
| 178 | K | 68.2 | Low | 74.8 | Confident | 155 Ų | 155 | 43 Ų | 43 | 67% | 0.674 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -62.3 | -34.5 | -179.9 | -66.6 | -170.2 | 173.9 | -168.8 | 0 | 113.5 | L176 L180 E181 | L176-K178 HydrophobicContact CD2-CG 4.41Å; K178-L180 PolarHBondContact O-N 3.12Å; K178-L180 VanDerWaalsContact O-N 3.11Å; K178-E181 VanDerWaalsContact O-CB 3.28Å; K178-E181 WeakPolarHBondContact O-CB 3.43Å; K178-E181 WeakPolarHBondContact O-CG 3.33Å; K178-E181 PolarHBondContact O-N 3.35Å |
| 179 | E | 63 | Low | 74.5 | Confident | 117 Ų | 117 | 45.4 Ų | 45.4 | 55% | 0.547 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -59.9 | -24.4 | -180 | -67.9 | 163.1 | -165.2 | 0 | 0 | 112.9 | L177 E181 N182 Y183 | L177-E179 VanDerWaalsContact C-N 3.29Å; L177-E179 HydrophobicContact CD2-CB 4.49Å; L177-E179 PolarHBondContact O-N 2.93Å; E179-E181 PolarHBondContact O-N 2.84Å; E179-N182 PolarHBondContact O-N 2.79Å; E179-Y183 VanDerWaalsContact O-CD2 3.3Å; E179-Y183 WeakPolarHBondContact O-CD2 3.21Å; E179-Y183 WeakPolarHBondContact O-CE2 3.46Å |
| 180 | L | 65.3 | Low | 74.1 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -71.2 | -12.1 | 174.1 | -95 | 171.4 | 0 | 0 | 0 | 114.3 | N24 Y89 L177 K178 N182 Y183 S184 I187 L211 | N24-L180 HydrophobicContact CB-CB 3.66Å; N24-L180 HydrophobicContact CB-CD1 4.34Å; Y89-L180 HydrophobicContact CD1-CD1 3.59Å; Y89-L180 HydrophobicContact CE1-CD1 4.24Å; Y89-L180 HydrophobicContact CG-CD1 4.08Å; L177-L180 HydrophobicContact CB-CD1 4.28Å; L177-L180 HydrophobicContact CD2-CB 4.29Å; L177-L180 HydrophobicContact CD2-CD1 3.81Å; L177-L180 HydrophobicContact CD2-CG 3.76Å; L177-L180 WeakPolarHBondContact O-CB 3.44Å; L177-L180 PolarHBondContact O-N 3.01Å; K178-L180 PolarHBondContact O-N 3.12Å; K178-L180 VanDerWaalsContact O-N 3.11Å; L180-N182 VanDerWaalsContact C-N 3.32Å; L180-Y183 CarbonylContact O-C 3.56Å; L180-Y183 PolarHBondContact O-N 3.28Å; L180-S184 WeakPolarHBondContact O-CA 3.39Å; L180-S184 WeakPolarHBondContact O-CB 3.43Å; L180-S184 PolarHBondContact O-N 2.74Å; L180-I187 HydrophobicContact CD2-CD1 3.24Å; L180-L211 HydrophobicContact CD2-CD1 3.81Å; L180-L211 HydrophobicContact CG-CD1 4.23Å |
| 181 | E | 66.2 | Low | 73.5 | Confident | 93 Ų | 93 | 49.3 Ų | 49.3 | 44% | 0.435 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -61.7 | -43.1 | 173.8 | -68.8 | 175 | -179.2 | 0 | 0 | 110.7 | N24 K178 E179 Y183 S184 | N24-E181 WeakPolarHBondContact ND2-CG 3.29Å; K178-E181 VanDerWaalsContact O-CB 3.28Å; K178-E181 WeakPolarHBondContact O-CB 3.43Å; K178-E181 WeakPolarHBondContact O-CG 3.33Å; K178-E181 PolarHBondContact O-N 3.35Å; E179-E181 PolarHBondContact O-N 2.84Å; E181-Y183 PolarHBondContact O-N 3.18Å; E181-S184 VanDerWaalsContact O-CB 3.23Å; E181-S184 WeakPolarHBondContact O-CB 3.47Å; E181-S184 PolarHBondContact O-N 3.34Å; E181-S184 PolarHBondContact O-OG 3.07Å |
| 182 | N | 65.3 | Low | 73.1 | Confident | 111 Ų | 111 | 46.5 Ų | 46.5 | 59% | 0.594 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -29.7 | 177.1 | -65.9 | -14.8 | 0 | 0 | 0 | 113.3 | E179 L180 Y185 | E179-N182 PolarHBondContact O-N 2.79Å; L180-N182 VanDerWaalsContact C-N 3.32Å; N182-Y185 VanDerWaalsContact O-CE1 3.23Å; N182-Y185 WeakPolarHBondContact O-CE1 3.37Å |
| 183 | Y | 67 | Low | 72.5 | Confident | 47 Ų | 47 | 46.1 Ų | 46.1 | 18% | 0.184 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 4.5 | -176.3 | -48.7 | -51.3 | 0 | 0 | 0 | 112.9 | E179 L180 E181 Y185 L186 L202 L211 V213 | E179-Y183 VanDerWaalsContact O-CD2 3.3Å; E179-Y183 WeakPolarHBondContact O-CD2 3.21Å; E179-Y183 WeakPolarHBondContact O-CE2 3.46Å; L180-Y183 CarbonylContact O-C 3.56Å; L180-Y183 PolarHBondContact O-N 3.28Å; E181-Y183 PolarHBondContact O-N 3.18Å; Y183-Y185 PolarHBondContact O-N 3.31Å; Y183-Y185 VanDerWaalsContact O-N 3.14Å; Y183-L186 WeakPolarHBondContact O-CB 3.36Å; Y183-L186 PolarHBondContact O-N 3.31Å; Y183-L202 HydrophobicContact CD1-CD2 4.2Å; Y183-L202 HydrophobicContact CG-CD2 4.03Å; Y183-L211 HydrophobicContact CD2-CB 4.07Å; Y183-L211 HydrophobicContact CD2-CD1 4.41Å; Y183-L211 HydrophobicContact CE2-CB 3.98Å; Y183-L211 PolarHBondContact OH-O 2.79Å; Y183-V213 HydrophobicContact CD1-CG2 3.32Å; Y183-V213 HydrophobicContact CE1-CG2 3.4Å; Y183-V213 HydrophobicContact CG-CG2 4.44Å |
| 184 | S | 67.5 | Low | 72.1 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -59.2 | -34.5 | -166.8 | 64 | 0 | 0 | 0 | 0 | 112.7 | R91 L180 E181 L186 I187 | R91-S184 WeakPolarHBondContact CD-O 3.12Å; R91-S184 PolarHBondContact NE-O 3.09Å; R91-S184 PolarHBondContact NH1-O 2.82Å; L180-S184 WeakPolarHBondContact O-CA 3.39Å; L180-S184 WeakPolarHBondContact O-CB 3.43Å; L180-S184 PolarHBondContact O-N 2.74Å; E181-S184 VanDerWaalsContact O-CB 3.23Å; E181-S184 WeakPolarHBondContact O-CB 3.47Å; E181-S184 PolarHBondContact O-N 3.34Å; E181-S184 PolarHBondContact O-OG 3.07Å; S184-L186 PolarHBondContact O-N 3.11Å; S184-I187 PolarHBondContact O-N 2.99Å; S184-I187 VanDerWaalsContact O-N 3.09Å; S184-I187 VanDerWaalsContact O-O 3.14Å |
| 185 | Y | 70.7 | Confident | 71.1 | Confident | 51 Ų | 51 | 46.9 Ų | 46.9 | 20% | 0.2 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -65.1 | -18.9 | 177.6 | 66.4 | -90.7 | 0 | 0 | 0 | 114.7 | N182 Y183 T279 V281 | N182-Y185 VanDerWaalsContact O-CE1 3.23Å; N182-Y185 WeakPolarHBondContact O-CE1 3.37Å; Y183-Y185 PolarHBondContact O-N 3.31Å; Y183-Y185 VanDerWaalsContact O-N 3.14Å; Y185-T279 WeakPolarHBondContact O-CG2 3.15Å; Y185-V281 HydrophobicContact CD2-CG1 3.85Å; Y185-V281 WeakPolarHBondContact CD2-O 3.22Å; Y185-V281 HydrophobicContact CE2-CG1 3.92Å |
| 186 | L | 72.1 | Confident | 70 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -83.3 | -13.2 | 174.2 | -66.6 | 166.5 | 0 | 0 | 0 | 112.8 | Y183 S184 L202 V213 N276 V281 | Y183-L186 WeakPolarHBondContact O-CB 3.36Å; Y183-L186 PolarHBondContact O-N 3.31Å; S184-L186 PolarHBondContact O-N 3.11Å; L186-L202 HydrophobicContact CB-CD1 4.43Å; L186-L202 HydrophobicContact CD1-CD1 4.47Å; L186-L202 HydrophobicContact CD1-CD2 3.99Å; L186-L202 HydrophobicContact CD1-CG 3.8Å; L186-V213 HydrophobicContact CD1-CG2 4.26Å; L186-N276 PolarHBondContact O-ND2 3.01Å; L186-V281 HydrophobicContact CD2-CB 4.4Å; L186-V281 HydrophobicContact CD2-CG1 3.61Å; L186-V281 HydrophobicContact CD2-CG2 3.88Å |
| 187 | I | 73 | Confident | 69.1 | Low | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -113.1 | 126.5 | -170.6 | -68.6 | 159.7 | 0 | 0 | 0 | 111.1 | R91 L180 S184 V189 I199 L202 | R91-I187 HydrophobicContact CB-CG2 3.87Å; R91-I187 WeakPolarHBondContact CD-O 3.05Å; R91-I187 PolarHBondContact NH1-O 3.34Å; L180-I187 HydrophobicContact CD2-CD1 3.24Å; S184-I187 PolarHBondContact O-N 2.99Å; S184-I187 VanDerWaalsContact O-N 3.09Å; S184-I187 VanDerWaalsContact O-O 3.14Å; I187-V189 PolarHBondContact O-N 2.88Å; I187-I199 HydrophobicContact CD1-CD1 4.44Å; I187-I199 HydrophobicContact CG1-CD1 3.85Å; I187-L202 HydrophobicContact CD1-CD1 4.41Å |
| 188 | P | 72.4 | Confident | 68.6 | Low | 11 Ų | 11 | 52 Ų | 52 | 7% | 0.071 | 27% | 0.266 | C | S | . | . | trans | -64.3 | 134.3 | 177.7 | 21.9 | -30.4 | 0 | 0 | 0 | 112.2 | R191 V193 F278 | P188-R191 HydrophobicContact CB-CB 4.1Å; P188-R191 HydrophobicContact CG-CB 3.94Å; P188-R191 HydrophobicContact CG-CG 4.44Å; P188-V193 HydrophobicContact CG-CG2 4.35Å; P188-F278 HydrophobicContact CG-CB 4.09Å; P188-F278 HydrophobicContact CG-CD1 4.42Å | ||
| 189 | V | 75.1 | Confident | 68.6 | Low | 60 Ų | 60 | 45.3 Ų | 45.3 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | B | Isolated β-bridge | trans | -66.7 | 141.4 | 178.7 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | R91 I187 R191 | R91-V189 HydrophobicContact CG-CG2 4.47Å; I187-V189 PolarHBondContact O-N 2.88Å; V189-R191 VanDerWaalsContact C-N 3.25Å; V189-R191 PolarHBondContact O-N 3.08Å |
| 190 | N | 76.9 | Confident | 68.7 | Low | 38 Ų | 38 | 40.1 Ų | 40.1 | 20% | 0.203 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 28.4 | -177.5 | -60.3 | -25 | 0 | 0 | 0 | 114.5 | L61 S62 F90 R91 S92 | L61-N190 HydrophobicContact CB-CB 4.46Å; L61-N190 WeakPolarHBondContact O-CB 3.49Å; S62-N190 WeakPolarHBondContact CA-O 3.39Å; S62-N190 WeakPolarHBondContact CB-O 3.23Å; F90-N190 VanDerWaalsContact CE2-C 3.4Å; F90-N190 WeakPolarHBondContact CE2-O 2.91Å; F90-N190 HydrophobicContact CZ-CB 4.21Å; R91-N190 WeakPolarHBondContact O-CA 3.45Å; R91-N190 PolarHBondContact O-N 2.93Å; S92-N190 WeakPolarHBondContact CB-OD1 3.33Å; S92-N190 PolarHBondContact OG-OD1 2.62Å |
| 191 | R | 74.5 | Confident | 68.8 | Low | 73 Ų | 73 | 40 Ų | 40 | 28% | 0.275 | 21% | 0.214 | S | C | . | . | trans | -122.4 | 138.3 | -179.6 | -153.9 | 177.8 | -176 | 96.7 | -5.8 | 111.8 | N63 P188 V189 | N63-R191 HydrophobicContact CB-CG 4.15Å; N63-R191 VanDerWaalsContact CG-CG 3.43Å; N63-R191 WeakPolarHBondContact OD1-CA 3.49Å; N63-R191 WeakPolarHBondContact OD1-CG 3.31Å; P188-R191 HydrophobicContact CB-CB 4.1Å; P188-R191 HydrophobicContact CG-CB 3.94Å; P188-R191 HydrophobicContact CG-CG 4.44Å; V189-R191 VanDerWaalsContact C-N 3.25Å; V189-R191 PolarHBondContact O-N 3.08Å | ||
| 192 | F | 77.7 | Confident | 68.9 | Low | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 132.5 | 169.2 | -74.1 | -69.3 | 0 | 0 | 0 | 110.9 | L27 V50 A52 N63 W65 L88 Y89 F90 F101 | L27-F192 HydrophobicContact CD2-CE1 3.93Å; L27-F192 HydrophobicContact CD2-CZ 4.44Å; V50-F192 HydrophobicContact CG1-CD2 4.4Å; V50-F192 HydrophobicContact CG1-CE2 4.32Å; V50-F192 HydrophobicContact CG2-CE2 4.16Å; V50-F192 HydrophobicContact CG2-CZ 4.08Å; A52-F192 HydrophobicContact CB-CE2 4.37Å; N63-F192 PolarHBondContact ND2-O 3.08Å; N63-F192 PolarHBondContact OD1-N 3.13Å; W65-F192 HydrophobicContact CB-CB 4.25Å; W65-F192 HydrophobicContact CE3-CB 4.3Å; L88-F192 HydrophobicContact CB-CD1 4.09Å; L88-F192 HydrophobicContact CD1-CB 4.4Å; L88-F192 HydrophobicContact CD1-CD1 4.06Å; L88-F192 HydrophobicContact CD1-CG 4.36Å; Y89-F192 WeakPolarHBondContact O-CA 3.1Å; F90-F192 HydrophobicContact CB-CD1 3.98Å; F90-F192 HydrophobicContact CB-CE1 3.91Å; F90-F192 AromaticContact CD2-CD1 3.92Å; F90-F192 HydrophobicContact CD2-CD1 3.92Å; F90-F192 HydrophobicContact CD2-CD2 4.22Å; F90-F192 AromaticContact CD2-CE1 3.89Å; F90-F192 HydrophobicContact CD2-CE1 3.89Å; F90-F192 HydrophobicContact CD2-CE2 4.18Å; F90-F192 HydrophobicContact CD2-CG 4.09Å; F90-F192 HydrophobicContact CD2-CZ 4.04Å; F90-F192 HydrophobicContact CE2-CE2 4.43Å; F90-F192 HydrophobicContact CG-CD1 4.38Å; F90-F192 HydrophobicContact CG-CE1 4.18Å; F101-F192 HydrophobicContact CD1-CE1 4.47Å; F101-F192 HydrophobicContact CD1-CE2 4.4Å; F101-F192 AromaticContact CD1-CZ 3.61Å; F101-F192 HydrophobicContact CD1-CZ 3.61Å; F101-F192 HydrophobicContact CD2-CE1 4.38Å; F101-F192 HydrophobicContact CD2-CZ 4.09Å; F101-F192 HydrophobicContact CE1-CE1 4.02Å; F101-F192 HydrophobicContact CE1-CE2 4.37Å; F101-F192 AromaticContact CE1-CZ 3.48Å; F101-F192 HydrophobicContact CE1-CZ 3.48Å; F101-F192 VanDerWaalsContact CE1-CZ 3.48Å; F101-F192 AromaticContact CE2-CE1 3.93Å; F101-F192 HydrophobicContact CE2-CE1 3.93Å; F101-F192 AromaticContact CE2-CZ 3.98Å; F101-F192 HydrophobicContact CE2-CZ 3.98Å; F101-F192 AromaticContact CG-CZ 3.92Å; F101-F192 HydrophobicContact CG-CZ 3.92Å; F101-F192 AromaticContact CZ-CE1 3.74Å; F101-F192 HydrophobicContact CZ-CE1 3.74Å; F101-F192 AromaticContact CZ-CZ 3.68Å; F101-F192 HydrophobicContact CZ-CZ 3.68Å |
| 193 | V | 74.9 | Confident | 68.8 | Low | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 142.3 | 176.6 | -165.6 | 0 | 0 | 0 | 0 | 109.7 | L88 Y89 P188 S197 I199 F278 | L88-V193 CarbonylContact C-O 3.58Å; L88-V193 WeakPolarHBondContact CA-O 2.99Å; Y89-V193 PolarHBondContact N-O 3.02Å; Y89-V193 PolarHBondContact O-N 2.96Å; Y89-V193 VanDerWaalsContact O-N 3.08Å; P188-V193 HydrophobicContact CG-CG2 4.35Å; V193-S197 WeakPolarHBondContact CG1-OG 3.4Å; V193-I199 HydrophobicContact CB-CD1 4.39Å; V193-I199 HydrophobicContact CG1-CD1 3.7Å; V193-I199 HydrophobicContact CG1-CG1 3.78Å; V193-F278 HydrophobicContact CG1-CD1 4.35Å; V193-F278 HydrophobicContact CG1-CE1 3.87Å; V193-F278 HydrophobicContact CG2-CD1 4.45Å |
| 194 | S | 75.1 | Confident | 68.3 | Low | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 156.9 | -177.9 | -179.5 | 0 | 0 | 0 | 0 | 112.5 | W65 L196 S197 | W65-S194 VanDerWaalsContact CH2-CB 3.41Å; W65-S194 VanDerWaalsContact CZ2-CB 3.45Å; S194-L196 PolarHBondContact O-N 3.47Å; S194-L196 PolarHBondContact OG-N 3.35Å; S194-S197 PolarHBondContact N-OG 3.04Å; S194-S197 VanDerWaalsContact N-OG 3.11Å; S194-S197 PolarHBondContact O-N 2.87Å; S194-S197 PolarHBondContact O-OG 2.88Å |
| 195 | T | 62.8 | Low | 67.8 | Low | 33 Ų | 33 | 39.5 Ų | 39.5 | 20% | 0.202 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26.7 | 166.1 | 48.7 | 0 | 0 | 0 | 0 | 113.4 | Y89 L208 | Y89-T195 HydrophobicContact CE2-CG2 3.65Å; T195-L208 HydrophobicContact CG2-CD2 4.47Å |
| 196 | L | 54.6 | Low | 66.8 | Low | 136 Ų | 136 | 46.8 Ų | 46.8 | 71% | 0.712 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -23.9 | 179 | -65.9 | 171.6 | 0 | 0 | 0 | 113 | S194 C198 | S194-L196 PolarHBondContact O-N 3.47Å; S194-L196 PolarHBondContact OG-N 3.35Å; L196-C198 PolarHBondContact O-N 3.47Å |
| 197 | S | 58.7 | Low | 65.7 | Low | 34 Ų | 34 | 53.2 Ų | 53.2 | 24% | 0.238 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -85.7 | 95.2 | 170.7 | 45.8 | 0 | 0 | 0 | 0 | 109.4 | V193 S194 I199 | V193-S197 WeakPolarHBondContact CG1-OG 3.4Å; S194-S197 PolarHBondContact N-OG 3.04Å; S194-S197 VanDerWaalsContact N-OG 3.11Å; S194-S197 PolarHBondContact O-N 2.87Å; S194-S197 PolarHBondContact O-OG 2.88Å; S197-I199 PolarHBondContact O-N 2.94Å |
| 198 | C | 59.6 | Low | 64.6 | Low | 100 Ų | 100 | 58.5 Ų | 58.5 | 68% | 0.676 | 31% | 0.313 | S | S | * | . | trans | -59.5 | 99.4 | 178.8 | -65.4 | 0 | 0 | 0 | 0 | 110.9 | L196 P200 | L196-C198 PolarHBondContact O-N 3.47Å; C198-P200 VanDerWaalsContact O-CD 3.26Å; C198-P200 WeakPolarHBondContact O-CD 3.48Å | ||
| 199 | I | 68.1 | Low | 63.7 | Low | 13 Ų | 13 | 62.9 Ų | 62.9 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | trans | -68.5 | 117.4 | 177.5 | -57 | 171.3 | 0 | 0 | 0 | 108.1 | I187 V193 S197 G201 L202 | I187-I199 HydrophobicContact CD1-CD1 4.44Å; I187-I199 HydrophobicContact CG1-CD1 3.85Å; V193-I199 HydrophobicContact CB-CD1 4.39Å; V193-I199 HydrophobicContact CG1-CD1 3.7Å; V193-I199 HydrophobicContact CG1-CG1 3.78Å; S197-I199 PolarHBondContact O-N 2.94Å; I199-G201 PolarHBondContact O-N 3.43Å; I199-G201 VanDerWaalsContact O-N 3.12Å; I199-L202 HydrophobicContact CB-CD1 4.24Å; I199-L202 HydrophobicContact CD1-CD1 4.03Å; I199-L202 HydrophobicContact CG2-CD1 4.4Å; I199-L202 PolarHBondContact O-N 2.9Å | ||
| 200 | P | 65.6 | Low | 62.6 | Low | 8 Ų | 8 | 63.8 Ų | 63.8 | 5% | 0.052 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 120.7 | -179.4 | -24.6 | 35.7 | 0 | 0 | 0 | 111.5 | C198 N276 | C198-P200 VanDerWaalsContact O-CD 3.26Å; C198-P200 WeakPolarHBondContact O-CD 3.48Å; P200-N276 HydrophobicContact CB-CB 4.11Å; P200-N276 WeakPolarHBondContact CD-O 3.35Å; P200-N276 VanDerWaalsContact CG-O 3.24Å; P200-N276 WeakPolarHBondContact CG-O 3.35Å; P200-N276 WeakPolarHBondContact O-CB 3.45Å; P200-N276 PolarHBondContact O-ND2 2.93Å |
| 201 | G | 66.9 | Low | 61.8 | Low | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 113.3 | -24.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I199 G214 N344 | I199-G201 PolarHBondContact O-N 3.43Å; I199-G201 VanDerWaalsContact O-N 3.12Å; G201-G214 PolarHBondContact O-N 2.82Å; G201-G214 VanDerWaalsContact O-N 3.1Å; G201-N344 PolarHBondContact N-ND2 3.19Å |
| 202 | L | 68.6 | Low | 61.1 | Low | 16 Ų | 16 | 64 Ų | 64 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133.9 | 175.4 | -74.7 | 167.6 | 0 | 0 | 0 | 111.7 | Y183 L186 I187 I199 L211 V213 | Y183-L202 HydrophobicContact CD1-CD2 4.2Å; Y183-L202 HydrophobicContact CG-CD2 4.03Å; L186-L202 HydrophobicContact CB-CD1 4.43Å; L186-L202 HydrophobicContact CD1-CD1 4.47Å; L186-L202 HydrophobicContact CD1-CD2 3.99Å; L186-L202 HydrophobicContact CD1-CG 3.8Å; I187-L202 HydrophobicContact CD1-CD1 4.41Å; I199-L202 HydrophobicContact CB-CD1 4.24Å; I199-L202 HydrophobicContact CD1-CD1 4.03Å; I199-L202 HydrophobicContact CG2-CD1 4.4Å; I199-L202 PolarHBondContact O-N 2.9Å; L202-L211 HydrophobicContact CD2-CB 4.42Å; L202-V213 HydrophobicContact CD2-CG2 3.96Å |
| 203 | N | 63.3 | Low | 60.4 | Low | 80 Ų | 80 | 65.2 Ų | 65.2 | 43% | 0.428 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127.3 | 170.5 | -69.7 | -22 | 0 | 0 | 0 | 108.9 | D212 | N203-D212 PolarHBondContact N-O 2.77Å; N203-D212 PolarHBondContact O-N 3.05Å |
| 204 | T | 57.1 | Low | 59.8 | Low | 76 Ų | 76 | 65.5 Ų | 65.5 | 47% | 0.466 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 123.7 | 172 | 40.3 | 0 | 0 | 0 | 0 | 110.1 | L211 | T204-L211 HydrophobicContact CG2-CD2 4.06Å |
| 205 | N | 56.2 | Low | 59.5 | Low | 91 Ų | 91 | 68.9 Ų | 68.9 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 161.3 | 167.8 | -94.6 | -47 | 0 | 0 | 0 | 110.9 | D207 | N205-D207 PolarHBondContact O-N 2.87Š|
| 206 | K | 50.5 | Low | 60 | Low | 203 Ų | 203 | 70.8 Ų | 70.8 | 88% | 0.883 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -68 | -25.5 | -177 | -69.9 | -176.6 | 178.3 | 177.9 | 0 | 113.2 | ||
| 207 | D | 48.3 | Very low | 61 | Low | 136 Ų | 136 | 65.5 Ų | 65.5 | 73% | 0.727 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -88.9 | 114.4 | 169.3 | -58.7 | -50.2 | 0 | 0 | 0 | 108.4 | N205 D209 | N205-D207 PolarHBondContact O-N 2.87Å; D207-D209 PolarHBondContact O-N 2.77Å |
| 208 | L | 50.5 | Low | 62 | Low | 115 Ų | 115 | 68.6 Ų | 68.6 | 60% | 0.602 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 14.4 | -157.8 | -85.9 | 158.8 | 0 | 0 | 0 | 117 | T195 | T195-L208 HydrophobicContact CG2-CD2 4.47Š|
| 209 | D | 51.7 | Low | 63 | Low | 102 Ų | 102 | 63.9 Ų | 63.9 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -7 | -170.8 | -72.9 | -51 | 0 | 0 | 0 | 115.1 | R26 D207 | R26-D209 IonicContact CZ-OD1 2.72Å; R26-D209 IonicContact NH1-OD1 3.81Å; R26-D209 PolarHBondContact NH1-OD1 3.38Å; R26-D209 IonicContact NH2-OD1 3.32Å; R26-D209 PolarHBondContact NH2-OD1 3.19Å; D207-D209 PolarHBondContact O-N 2.77Å |
| 210 | T | 54 | Low | 63.8 | Low | 79 Ų | 79 | 65.2 Ų | 65.2 | 49% | 0.485 | 34% | 0.344 | S | S | . | . | trans | -121.9 | 135.2 | 174 | 58 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 211 | L | 58.8 | Low | 64.7 | Low | 29 Ų | 29 | 64.8 Ų | 64.8 | 15% | 0.152 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 136.6 | 172.6 | -71.1 | 169.6 | 0 | 0 | 0 | 109.1 | L180 Y183 L202 T204 | L180-L211 HydrophobicContact CD2-CD1 3.81Å; L180-L211 HydrophobicContact CG-CD1 4.23Å; Y183-L211 HydrophobicContact CD2-CB 4.07Å; Y183-L211 HydrophobicContact CD2-CD1 4.41Å; Y183-L211 HydrophobicContact CE2-CB 3.98Å; Y183-L211 PolarHBondContact OH-O 2.79Å; L202-L211 HydrophobicContact CD2-CB 4.42Å; T204-L211 HydrophobicContact CG2-CD2 4.06Å |
| 212 | D | 60.8 | Low | 65.6 | Low | 86 Ų | 86 | 68.3 Ų | 68.3 | 46% | 0.46 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 160.9 | 176.2 | -167.3 | 14.3 | 0 | 0 | 0 | 110.6 | N203 | N203-D212 PolarHBondContact N-O 2.77Å; N203-D212 PolarHBondContact O-N 3.05Å |
| 213 | V | 62 | Low | 66.3 | Low | 29 Ų | 29 | 72.7 Ų | 72.7 | 18% | 0.176 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 132 | -175.5 | 173.8 | 0 | 0 | 0 | 0 | 111 | Y183 L186 L202 F216 | Y183-V213 HydrophobicContact CD1-CG2 3.32Å; Y183-V213 HydrophobicContact CE1-CG2 3.4Å; Y183-V213 HydrophobicContact CG-CG2 4.44Å; L186-V213 HydrophobicContact CD1-CG2 4.26Å; L202-V213 HydrophobicContact CD2-CG2 3.96Å; V213-F216 HydrophobicContact CG1-CD2 4.49Å; V213-F216 HydrophobicContact CG1-CE2 3.46Å; V213-F216 VanDerWaalsContact CG1-CE2 3.46Å; V213-F216 HydrophobicContact CG1-CZ 3.75Å |
| 214 | G | 61.9 | Low | 67.4 | Low | 7 Ų | 7 | 69 Ų | 69 | 7% | 0.072 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -64 | 141.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G201 | G201-G214 PolarHBondContact O-N 2.82Å; G201-G214 VanDerWaalsContact O-N 3.1Å |
| 215 | S | 68.8 | Low | 68.9 | Low | 73 Ų | 73 | 66 Ų | 66 | 51% | 0.51 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -49.5 | 136.6 | 177.6 | 32.3 | 0 | 0 | 0 | 0 | 113 | P342 Q343 | S215-P342 CarbonylContact O-C 3.6Å; S215-Q343 WeakPolarHBondContact O-CB 3.45Å; S215-Q343 WeakPolarHBondContact O-CG 3.33Å; S215-Q343 PolarHBondContact O-N 2.84Å; S215-Q343 PolarHBondContact OG-OE1 3.3Å |
| 216 | F | 73.4 | Confident | 70.3 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 32% | 0.32 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 145.9 | -178 | -69 | -95.6 | 0 | 0 | 0 | 113 | V213 L340 V341 P342 | V213-F216 HydrophobicContact CG1-CD2 4.49Å; V213-F216 HydrophobicContact CG1-CE2 3.46Å; V213-F216 VanDerWaalsContact CG1-CE2 3.46Å; V213-F216 HydrophobicContact CG1-CZ 3.75Å; F216-L340 HydrophobicContact CB-CD2 4.42Å; F216-L340 HydrophobicContact CD1-CB 4.44Å; F216-V341 CarbonylContact C-O 3.47Å; F216-V341 WeakPolarHBondContact CA-O 3.47Å; F216-P342 HydrophobicContact CD1-CB 4.1Å; F216-P342 HydrophobicContact CE1-CB 3.97Å; F216-P342 HydrophobicContact CE1-CG 4.18Å; F216-P342 HydrophobicContact CZ-CB 4.39Å |
| 217 | V | 75.6 | Confident | 71.9 | Confident | 25 Ų | 25 | 53.4 Ų | 53.4 | 15% | 0.152 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 138.9 | 172.6 | 168.8 | 0 | 0 | 0 | 0 | 109.5 | I219 V341 Q343 A471 | V217-I219 HydrophobicContact CG1-CG1 4.28Å; V217-V341 PolarHBondContact N-O 3.15Å; V217-V341 PolarHBondContact O-N 2.72Å; V217-Q343 HydrophobicContact CG2-CG 3.59Å; V217-A471 HydrophobicContact CG1-CB 4.03Å |
| 218 | K | 80.1 | Confident | 73.2 | Confident | 99 Ų | 99 | 47.9 Ų | 47.9 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 126 | 171.1 | -72.9 | -179.3 | 172.6 | -127.3 | 0 | 110.4 | E338 L339 L340 | K218-E338 VanDerWaalsContact CD-OE1 3.3Å; K218-E338 WeakPolarHBondContact CD-OE1 3.42Å; K218-E338 WeakPolarHBondContact CE-OE1 3.5Å; K218-E338 IonicContact NZ-OE1 2.82Å; K218-E338 PolarHBondContact NZ-OE1 3.17Å; K218-L339 WeakPolarHBondContact CA-O 3.08Å; K218-L340 HydrophobicContact CG-CD2 3.61Å; K218-L340 HydrophobicContact CG-CG 4.44Å |
| 219 | I | 81 | Confident | 73.8 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.5 | 177 | -59.8 | -168.9 | 0 | 0 | 0 | 108.7 | V217 E338 L339 V341 L379 I385 L386 I469 S470 | V217-I219 HydrophobicContact CG1-CG1 4.28Å; I219-E338 WeakPolarHBondContact O-CA 3.37Å; I219-L339 PolarHBondContact N-O 2.84Å; I219-L339 PolarHBondContact O-N 2.89Å; I219-V341 HydrophobicContact CB-CG2 4.39Å; I219-V341 HydrophobicContact CD1-CB 3.94Å; I219-V341 HydrophobicContact CD1-CG1 4.16Å; I219-V341 HydrophobicContact CD1-CG2 3.79Å; I219-V341 HydrophobicContact CG1-CB 4.31Å; I219-V341 HydrophobicContact CG1-CG2 4.07Å; I219-L379 HydrophobicContact CD1-CD2 4.08Å; I219-I385 HydrophobicContact CD1-CG2 4.02Å; I219-L386 HydrophobicContact CD1-CD2 4.41Å; I219-I469 HydrophobicContact CG2-CG2 3.4Å; I219-S470 CarbonylContact C-O 3.44Å; I219-S470 WeakPolarHBondContact CA-O 3.24Å |
| 220 | F | 84.4 | Confident | 74.1 | Confident | 41 Ų | 41 | 46.9 Ų | 46.9 | 18% | 0.18 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 131.8 | 174.8 | -58.5 | -79.9 | 0 | 0 | 0 | 110.3 | A337 E338 I469 S470 | F220-A337 WeakPolarHBondContact CA-O 3.37Å; F220-E338 HydrophobicContact CD1-CB 4.07Å; F220-E338 HydrophobicContact CD1-CG 3.96Å; F220-E338 HydrophobicContact CE1-CB 4.12Å; F220-E338 HydrophobicContact CE1-CG 3.66Å; F220-E338 HydrophobicContact CZ-CG 4.4Å; F220-I469 CarbonylContact O-C 3.51Å; F220-I469 WeakPolarHBondContact O-CA 3.44Å; F220-S470 PolarHBondContact N-O 3.47Å; F220-S470 PolarHBondContact O-N 3.22Å |
| 221 | V | 85.5 | Confident | 74.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 122.7 | 175.2 | -170 | 0 | 0 | 0 | 0 | 108.6 | I224 D336 A337 L339 F351 C467 T468 I469 | V221-I224 HydrophobicContact CG1-CD1 3.79Å; V221-I224 HydrophobicContact CG1-CG1 3.99Å; V221-D336 WeakPolarHBondContact O-CA 3.46Å; V221-A337 PolarHBondContact N-O 3.01Å; V221-A337 PolarHBondContact O-N 2.8Å; V221-L339 HydrophobicContact CG2-CD1 4.41Å; V221-F351 HydrophobicContact CG1-CE1 3.93Å; V221-F351 HydrophobicContact CG1-CZ 4.1Å; V221-C467 HydrophobicContact CG1-CB 4.08Å; V221-T468 CarbonylContact C-O 3.49Å; V221-T468 WeakPolarHBondContact CA-O 3.42Å; V221-I469 HydrophobicContact CG1-CG1 4.23Å; V221-I469 HydrophobicContact CG2-CD1 4.25Å; V221-I469 HydrophobicContact CG2-CG1 4.17Å |
| 222 | K | 84.8 | Confident | 74.7 | Confident | 74 Ų | 74 | 48.6 Ų | 48.6 | 32% | 0.322 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 172.8 | -170.3 | -52.1 | -171.3 | 167.5 | -100.8 | 0 | 112 | I224 D336 C467 T468 | K222-I224 PolarHBondContact O-N 3.23Å; K222-D336 WeakPolarHBondContact CA-OD1 3.41Å; K222-D336 WeakPolarHBondContact CB-OD1 3.3Å; K222-D336 HydrophobicContact CG-CB 4.31Å; K222-D336 IonicContact NZ-OD2 3.78Å; K222-D336 PolarHBondContact NZ-OD2 3.44Å; K222-C467 CarbonylContact O-C 3.58Å; K222-C467 WeakPolarHBondContact O-CA 3.34Å; K222-C467 WeakPolarHBondContact O-CB 3.29Å; K222-T468 PolarHBondContact N-O 2.72Å; K222-T468 PolarHBondContact O-N 3.37Å |
| 223 | D | 84.1 | Confident | 75.5 | Confident | 109 Ų | 109 | 44.7 Ų | 44.7 | 58% | 0.583 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 56.7 | 23.9 | 168.7 | -51 | -56.8 | 0 | 0 | 0 | 114.9 | S225 T468 | D223-S225 PolarHBondContact O-N 3.32Å; D223-T468 WeakPolarHBondContact OD2-CB 3.47Å; D223-T468 PolarHBondContact OD2-OG1 3.35Å |
| 224 | I | 87 | Confident | 76.3 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.015 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 119.3 | -171.3 | -61.2 | 165.3 | 0 | 0 | 0 | 110 | V221 K222 V270 I287 A333 L465 N466 C467 | V221-I224 HydrophobicContact CG1-CD1 3.79Å; V221-I224 HydrophobicContact CG1-CG1 3.99Å; K222-I224 PolarHBondContact O-N 3.23Å; I224-V270 HydrophobicContact CG2-CG2 4.42Å; I224-I287 HydrophobicContact CD1-CD1 3.31Å; I224-I287 HydrophobicContact CD1-CG2 4.26Å; I224-A333 HydrophobicContact CB-CB 3.75Å; I224-A333 HydrophobicContact CG2-CB 4.29Å; I224-A333 WeakPolarHBondContact O-CB 3.39Å; I224-A333 PolarHBondContact O-N 3.2Å; I224-L465 HydrophobicContact CG2-CD1 4.34Å; I224-N466 CarbonylContact C-O 3.54Å; I224-N466 VanDerWaalsContact CA-O 3.28Å; I224-N466 WeakPolarHBondContact CA-O 3.49Å; I224-C467 HydrophobicContact CB-CB 4.35Å; I224-C467 HydrophobicContact CG1-CB 3.6Å |
| 225 | S | 87.7 | Confident | 77 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 141.3 | 173 | 51.5 | 0 | 0 | 0 | 0 | 112.8 | D223 R297 L331 N466 | D223-S225 PolarHBondContact O-N 3.32Å; S225-R297 PolarHBondContact OG-NH2 3.01Å; S225-L331 CarbonylContact C-O 3.6Å; S225-L331 WeakPolarHBondContact CA-O 3.37Å; S225-L331 VanDerWaalsContact CB-O 3.24Å; S225-L331 WeakPolarHBondContact CB-O 3.45Å; S225-N466 PolarHBondContact N-O 2.63Å; S225-N466 PolarHBondContact O-N 3.16Å; S225-N466 PolarHBondContact O-ND2 3.36Å |
| 226 | I | 86.1 | Confident | 77.5 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 132.5 | -177 | -54.8 | 173.4 | 0 | 0 | 0 | 109.7 | V270 L289 L331 L353 L400 L463 T464 L465 | I226-V270 HydrophobicContact CD1-CG2 3.97Å; I226-L289 HydrophobicContact CD1-CD1 3.78Å; I226-L331 HydrophobicContact CB-CB 4.19Å; I226-L331 PolarHBondContact N-O 2.76Å; I226-L331 PolarHBondContact O-N 3.03Å; I226-L353 HydrophobicContact CD1-CD1 3.82Å; I226-L353 HydrophobicContact CD1-CD2 4.17Å; I226-L353 HydrophobicContact CD1-CG 4.47Å; I226-L400 HydrophobicContact CD1-CD1 3.9Å; I226-L400 HydrophobicContact CG1-CD1 4.17Å; I226-L400 HydrophobicContact CG2-CD1 3.69Å; I226-L463 HydrophobicContact CG2-CB 4.09Å; I226-L463 HydrophobicContact CG2-CD2 4.45Å; I226-T464 VanDerWaalsContact CA-O 3.3Å; I226-T464 WeakPolarHBondContact CA-O 3.31Å; I226-L465 HydrophobicContact CD1-CD1 4.49Å; I226-L465 HydrophobicContact CG1-CB 4.38Å; I226-L465 HydrophobicContact CG1-CD1 4.39Å; I226-L465 HydrophobicContact CG1-CG 4.44Å |
| 227 | T | 82.6 | Confident | 78.1 | Confident | 29 Ų | 29 | 42.6 Ų | 42.6 | 18% | 0.178 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 145.1 | -179.7 | 48.8 | 0 | 0 | 0 | 0 | 111.7 | Y330 L463 T464 N466 | T227-Y330 HydrophobicContact CG2-CD1 3.56Å; T227-Y330 HydrophobicContact CG2-CE1 3.44Å; T227-Y330 VanDerWaalsContact CG2-CE1 3.44Å; T227-L463 WeakPolarHBondContact O-CA 3.48Å; T227-T464 PolarHBondContact N-O 2.89Å; T227-T464 PolarHBondContact O-N 3.47Å; T227-T464 PolarHBondContact OG1-O 2.81Å; T227-N466 PolarHBondContact OG1-ND2 3.43Å |
| 228 | S | 75.8 | Confident | 78.4 | Confident | 21 Ų | 21 | 45.3 Ų | 45.3 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 136 | 170.9 | 174.9 | 0 | 0 | 0 | 0 | 109.8 | S231 M461 | S228-S231 WeakPolarHBondContact CB-O 3.43Å; S228-S231 PolarHBondContact OG-O 3.12Å; S228-M461 WeakPolarHBondContact OG-CE 3.24Å |
| 229 | N | 64.4 | Low | 78.4 | Confident | 100 Ų | 100 | 46.2 Ų | 46.2 | 54% | 0.535 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -85.8 | -19.5 | -176.8 | -73.6 | -15 | 0 | 0 | 0 | 114.5 | E462 | N229-E462 PolarHBondContact ND2-OE2 2.61Š|
| 230 | S | 57.1 | Low | 78.4 | Confident | 95 Ų | 95 | 46.3 Ų | 46.3 | 66% | 0.664 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -151.3 | -0 | -162.9 | 61 | 0 | 0 | 0 | 0 | 118 | ||
| 231 | S | 57.4 | Low | 78.4 | Confident | 47 Ų | 47 | 45 Ų | 45 | 33% | 0.329 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -157.2 | 156.5 | 176.4 | 9.1 | 0 | 0 | 0 | 0 | 110.9 | S228 M461 | S228-S231 WeakPolarHBondContact CB-O 3.43Å; S228-S231 PolarHBondContact OG-O 3.12Å; S231-M461 VanDerWaalsContact OG-CE 3.32Å; S231-M461 WeakPolarHBondContact OG-CE 3.49Å |
| 232 | Q | 69.4 | Low | 78.1 | Confident | 97 Ų | 97 | 47.5 Ų | 47.5 | 45% | 0.453 | 27% | 0.269 | S | S | . | . | trans | -67.9 | 149.2 | -178.7 | -58.6 | -173.7 | -1.1 | 0 | 0 | 109.9 | A234 D235 F236 | Q232-A234 HydrophobicContact CB-CB 4.3Å; Q232-A234 PolarHBondContact O-N 3.13Å; Q232-D235 WeakPolarHBondContact CB-OD2 3.41Å; Q232-D235 PolarHBondContact N-OD2 3.07Å; Q232-D235 WeakPolarHBondContact O-CB 3.44Å; Q232-D235 PolarHBondContact O-N 3.25Å; Q232-D235 VanDerWaalsContact O-N 3.09Å; Q232-F236 PolarHBondContact O-N 3.21Å | ||
| 233 | I | 77.5 | Confident | 77.8 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.9 | -28.9 | 177.4 | -62.7 | 174.4 | 0 | 0 | 0 | 109 | D235 F236 E237 E329 L331 | I233-D235 PolarHBondContact O-N 3.08Å; I233-F236 PolarHBondContact O-N 3.28Å; I233-E237 HydrophobicContact CG2-CG 4.26Å; I233-E237 WeakPolarHBondContact CG2-OE1 3.4Å; I233-E237 WeakPolarHBondContact O-CB 3.38Å; I233-E237 VanDerWaalsContact O-CG 3.22Å; I233-E237 WeakPolarHBondContact O-CG 3.49Å; I233-E237 PolarHBondContact O-N 3.36Å; I233-E329 WeakPolarHBondContact CA-OE2 3.38Å; I233-E329 HydrophobicContact CB-CB 4.21Å; I233-E329 WeakPolarHBondContact CB-OE2 3.34Å; I233-E329 HydrophobicContact CD1-CB 3.97Å; I233-E329 VanDerWaalsContact CD1-O 3.28Å; I233-E329 WeakPolarHBondContact CD1-O 3.23Å; I233-E329 HydrophobicContact CG1-CB 4.13Å; I233-E329 PolarHBondContact N-OE2 3.3Å; I233-L331 HydrophobicContact CD1-CD2 4.46Å; I233-L331 HydrophobicContact CD1-CG 4.13Å; I233-L331 HydrophobicContact CG2-CD2 4.25Å |
| 234 | A | 78 | Confident | 77.4 | Confident | 30 Ų | 30 | 42 Ų | 42 | 25% | 0.248 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -52.4 | -46.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q232 E237 S238 E329 | Q232-A234 HydrophobicContact CB-CB 4.3Å; Q232-A234 PolarHBondContact O-N 3.13Å; A234-E237 PolarHBondContact O-N 3.27Å; A234-S238 WeakPolarHBondContact O-CB 3.41Å; A234-S238 PolarHBondContact O-N 3Å; A234-S238 PolarHBondContact O-OG 3.4Å; A234-E329 PolarHBondContact N-OE2 3.23Å |
| 235 | D | 77 | Confident | 77.1 | Confident | 87 Ų | 87 | 42.6 Ų | 42.6 | 47% | 0.465 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.1 | -44.7 | -178.5 | -54.7 | -41.1 | 0 | 0 | 0 | 110.7 | Q232 I233 S238 Y239 | Q232-D235 WeakPolarHBondContact CB-OD2 3.41Å; Q232-D235 PolarHBondContact N-OD2 3.07Å; Q232-D235 WeakPolarHBondContact O-CB 3.44Å; Q232-D235 PolarHBondContact O-N 3.25Å; Q232-D235 VanDerWaalsContact O-N 3.09Å; I233-D235 PolarHBondContact O-N 3.08Å; D235-S238 PolarHBondContact O-N 2.78Å; D235-Y239 WeakPolarHBondContact O-CB 3.33Å; D235-Y239 PolarHBondContact O-N 3.48Å |
| 236 | F | 78.5 | Confident | 76.6 | Confident | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.022 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.1 | -48.5 | 176.5 | 176.5 | -106.1 | 0 | 0 | 0 | 112.1 | Q232 I233 Y239 L240 Y355 V372 M461 | Q232-F236 PolarHBondContact O-N 3.21Å; I233-F236 PolarHBondContact O-N 3.28Å; F236-Y239 PolarHBondContact O-N 3.34Å; F236-L240 HydrophobicContact CE1-CB 4.3Å; F236-L240 HydrophobicContact CE1-CD2 4.01Å; F236-L240 HydrophobicContact CZ-CB 4Å; F236-L240 HydrophobicContact CZ-CD1 4.41Å; F236-L240 HydrophobicContact CZ-CD2 4.05Å; F236-L240 HydrophobicContact CZ-CG 4.38Å; F236-L240 WeakPolarHBondContact O-CB 3.44Å; F236-L240 PolarHBondContact O-N 3.28Å; F236-Y355 HydrophobicContact CE1-CE2 4.2Å; F236-V372 HydrophobicContact CE1-CG1 3.9Å; F236-V372 HydrophobicContact CE2-CG1 4.24Å; F236-V372 HydrophobicContact CZ-CG1 3.34Å; F236-V372 HydrophobicContact CZ-CG2 4.5Å; F236-M461 HydrophobicContact CB-CE 3.82Å; F236-M461 HydrophobicContact CB-SD 3.63Å; F236-M461 HydrophobicContact CD2-SD 3.85Å; F236-M461 HydrophobicContact CG-SD 4.11Å |
| 237 | E | 85.6 | Confident | 75.9 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 8% | 0.075 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -40.3 | -177.5 | -73.2 | 176.9 | -178 | 0 | 0 | 111.9 | I233 A234 L240 C241 V265 R268 Y355 | I233-E237 HydrophobicContact CG2-CG 4.26Å; I233-E237 WeakPolarHBondContact CG2-OE1 3.4Å; I233-E237 WeakPolarHBondContact O-CB 3.38Å; I233-E237 VanDerWaalsContact O-CG 3.22Å; I233-E237 WeakPolarHBondContact O-CG 3.49Å; I233-E237 PolarHBondContact O-N 3.36Å; A234-E237 PolarHBondContact O-N 3.27Å; E237-L240 PolarHBondContact O-N 2.89Å; E237-C241 WeakPolarHBondContact O-CB 3.42Å; E237-C241 PolarHBondContact O-N 3.24Å; E237-C241 PolarHBondContact O-SG 2.91Å; E237-V265 HydrophobicContact CB-CG2 3.89Å; E237-V265 HydrophobicContact CG-CG2 3.98Å; E237-R268 IonicContact OE1-CZ 2.84Å; E237-R268 IonicContact OE1-NE 2.71Å; E237-R268 PolarHBondContact OE1-NE 2.91Å; E237-R268 IonicContact OE1-NH2 2.79Å; E237-R268 PolarHBondContact OE1-NH2 2.83Å; E237-R268 IonicContact OE2-CZ 3.07Å; E237-R268 IonicContact OE2-NE 2.71Å; E237-R268 IonicContact OE2-NH2 3.62Å; E237-R268 PolarHBondContact OE2-NH2 3.06Å; E237-Y355 HydrophobicContact CG-CE1 3.6Å; E237-Y355 WeakPolarHBondContact OE1-CE1 3.33Å; E237-Y355 PolarHBondContact OE1-OH 2.73Å |
| 238 | S | 82 | Confident | 75.4 | Confident | 83 Ų | 83 | 52.5 Ų | 52.5 | 58% | 0.58 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.1 | -44.8 | 172.7 | -73.4 | 0 | 0 | 0 | 0 | 111.8 | A234 D235 C241 S242 | A234-S238 WeakPolarHBondContact O-CB 3.41Å; A234-S238 PolarHBondContact O-N 3Å; A234-S238 PolarHBondContact O-OG 3.4Å; D235-S238 PolarHBondContact O-N 2.78Å; S238-C241 PolarHBondContact O-N 2.92Å; S238-S242 PolarHBondContact O-N 3.09Å; S238-S242 PolarHBondContact O-OG 2.95Å |
| 239 | Y | 81.3 | Confident | 75.1 | Confident | 117 Ų | 117 | 52.8 Ų | 52.8 | 46% | 0.459 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.7 | -38.3 | 177.6 | 176.8 | -105.7 | 0 | 0 | 0 | 112.9 | D235 F236 S242 T243 | D235-Y239 WeakPolarHBondContact O-CB 3.33Å; D235-Y239 PolarHBondContact O-N 3.48Å; F236-Y239 PolarHBondContact O-N 3.34Å; Y239-S242 PolarHBondContact O-OG 2.97Å; Y239-S242 VanDerWaalsContact O-OG 3.08Å; Y239-T243 WeakPolarHBondContact O-CB 3.37Å; Y239-T243 PolarHBondContact O-N 3.27Å; Y239-T243 PolarHBondContact O-OG1 3.14Å |
| 240 | L | 80.9 | Confident | 75.3 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 173.7 | -179.5 | 65.1 | 0 | 0 | 0 | 110.8 | F236 E237 V244 Y355 L357 V372 V457 | F236-L240 HydrophobicContact CE1-CB 4.3Å; F236-L240 HydrophobicContact CE1-CD2 4.01Å; F236-L240 HydrophobicContact CZ-CB 4Å; F236-L240 HydrophobicContact CZ-CD1 4.41Å; F236-L240 HydrophobicContact CZ-CD2 4.05Å; F236-L240 HydrophobicContact CZ-CG 4.38Å; F236-L240 WeakPolarHBondContact O-CB 3.44Å; F236-L240 PolarHBondContact O-N 3.28Å; E237-L240 PolarHBondContact O-N 2.89Å; L240-V244 HydrophobicContact CD1-CG2 4.26Å; L240-V244 WeakPolarHBondContact O-CG2 3.43Å; L240-V244 PolarHBondContact O-N 2.77Å; L240-V244 VanDerWaalsContact O-N 3.12Å; L240-Y355 HydrophobicContact CD2-CD1 4.17Å; L240-Y355 HydrophobicContact CD2-CD2 4.3Å; L240-Y355 HydrophobicContact CD2-CG 3.85Å; L240-L357 HydrophobicContact CD2-CD2 4.39Å; L240-L357 HydrophobicContact CG-CD1 4.41Å; L240-V372 HydrophobicContact CD1-CG2 4.49Å; L240-V372 HydrophobicContact CD2-CG2 3.86Å; L240-V457 HydrophobicContact CD1-CG1 3.99Å; L240-V457 HydrophobicContact CD1-CG2 4.01Å |
| 241 | C | 83.2 | Confident | 75.4 | Confident | 14 Ų | 14 | 53.1 Ų | 53.1 | 10% | 0.095 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 178.5 | -67.8 | 0 | 0 | 0 | 0 | 111.9 | E237 S238 S245 L263 | E237-C241 WeakPolarHBondContact O-CB 3.42Å; E237-C241 PolarHBondContact O-N 3.24Å; E237-C241 PolarHBondContact O-SG 2.91Å; S238-C241 PolarHBondContact O-N 2.92Å; C241-S245 VanDerWaalsContact O-CB 3.28Å; C241-S245 WeakPolarHBondContact O-CB 3.27Å; C241-S245 PolarHBondContact O-N 2.75Å; C241-S245 PolarHBondContact O-OG 2.79Å; C241-L263 HydrophobicContact CB-CB 4.29Å |
| 242 | S | 80.2 | Confident | 75.4 | Confident | 52 Ų | 52 | 52.9 Ų | 52.9 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 177.6 | 65.9 | 0 | 0 | 0 | 0 | 112 | S238 Y239 V244 S245 D246 | S238-S242 PolarHBondContact O-N 3.09Å; S238-S242 PolarHBondContact O-OG 2.95Å; Y239-S242 PolarHBondContact O-OG 2.97Å; Y239-S242 VanDerWaalsContact O-OG 3.08Å; S242-V244 VanDerWaalsContact C-N 3.34Å; S242-V244 PolarHBondContact O-N 2.98Å; S242-S245 WeakPolarHBondContact O-CB 3.1Å; S242-S245 PolarHBondContact O-N 2.77Å; S242-S245 VanDerWaalsContact O-N 3.17Å; S242-D246 VanDerWaalsContact O-CG 3.25Å; S242-D246 PolarHBondContact O-N 3.09Å |
| 243 | T | 77.2 | Confident | 74.6 | Confident | 41 Ų | 41 | 53.9 Ų | 53.9 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | -177.7 | -52.8 | 0 | 0 | 0 | 0 | 111.8 | Y239 D246 D247 | Y239-T243 WeakPolarHBondContact O-CB 3.37Å; Y239-T243 PolarHBondContact O-N 3.27Å; Y239-T243 PolarHBondContact O-OG1 3.14Å; T243-D246 PolarHBondContact O-N 3.39Å; T243-D247 PolarHBondContact O-N 2.79Å |
| 244 | V | 77.1 | Confident | 73.4 | Confident | 27 Ų | 27 | 61.6 Ų | 61.6 | 16% | 0.164 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -73.8 | -33.8 | 177.4 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | L240 S242 D246 L248 L263 L357 | L240-V244 HydrophobicContact CD1-CG2 4.26Å; L240-V244 WeakPolarHBondContact O-CG2 3.43Å; L240-V244 PolarHBondContact O-N 2.77Å; L240-V244 VanDerWaalsContact O-N 3.12Å; S242-V244 VanDerWaalsContact C-N 3.34Å; S242-V244 PolarHBondContact O-N 2.98Å; V244-D246 VanDerWaalsContact C-N 3.33Å; V244-L248 HydrophobicContact CG1-CD1 4.32Å; V244-L248 HydrophobicContact CG1-CG 4.5Å; V244-L248 WeakPolarHBondContact O-CB 3.29Å; V244-L248 VanDerWaalsContact O-CG 3.22Å; V244-L248 WeakPolarHBondContact O-CG 3.44Å; V244-L248 PolarHBondContact O-N 3.32Å; V244-L263 HydrophobicContact CB-CD1 3.86Å; V244-L263 HydrophobicContact CG1-CD1 3.59Å; V244-L357 HydrophobicContact CB-CD1 3.97Å; V244-L357 HydrophobicContact CG1-CD1 4.18Å; V244-L357 HydrophobicContact CG2-CD1 4.06Å |
| 245 | S | 80.5 | Confident | 72 | Confident | 15 Ų | 15 | 68 Ų | 68 | 11% | 0.105 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 169.1 | -86.4 | 0 | 0 | 0 | 0 | 112.4 | C241 S242 A249 V261 L263 | C241-S245 VanDerWaalsContact O-CB 3.28Å; C241-S245 WeakPolarHBondContact O-CB 3.27Å; C241-S245 PolarHBondContact O-N 2.75Å; C241-S245 PolarHBondContact O-OG 2.79Å; S242-S245 WeakPolarHBondContact O-CB 3.1Å; S242-S245 PolarHBondContact O-N 2.77Å; S242-S245 VanDerWaalsContact O-N 3.17Å; S245-A249 WeakPolarHBondContact O-CB 3.4Å; S245-A249 PolarHBondContact O-N 2.89Å; S245-V261 VanDerWaalsContact CB-O 3.26Å; S245-V261 WeakPolarHBondContact CB-O 3.37Å; S245-V261 PolarHBondContact OG-O 2.76Å; S245-L263 PolarHBondContact OG-N 2.86Å |
| 246 | D | 76.5 | Confident | 70.3 | Confident | 103 Ų | 103 | 67 Ų | 67 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -71.4 | -45 | -179.7 | -67.2 | -29.6 | 0 | 0 | 0 | 111.7 | S242 T243 V244 L248 A249 V250 | S242-D246 VanDerWaalsContact O-CG 3.25Å; S242-D246 PolarHBondContact O-N 3.09Å; T243-D246 PolarHBondContact O-N 3.39Å; V244-D246 VanDerWaalsContact C-N 3.33Å; D246-L248 VanDerWaalsContact C-N 3.32Å; D246-L248 PolarHBondContact O-N 3.5Å; D246-A249 WeakPolarHBondContact O-CB 3.33Å; D246-A249 PolarHBondContact O-N 3.4Å; D246-A249 VanDerWaalsContact O-N 3.17Å; D246-V250 WeakPolarHBondContact O-CG2 3.45Å; D246-V250 PolarHBondContact O-N 3.15Å |
| 247 | D | 72.1 | Confident | 68.6 | Low | 105 Ų | 105 | 75.2 Ų | 75.2 | 56% | 0.561 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -58.8 | -43.1 | 173.2 | -86.2 | -15.7 | 0 | 0 | 0 | 111.4 | T243 V250 T251 | T243-D247 PolarHBondContact O-N 2.79Å; D247-V250 PolarHBondContact O-N 3.33Å; D247-T251 PolarHBondContact O-N 3.49Å; D247-T251 VanDerWaalsContact O-N 3.1Å |
| 248 | L | 71.6 | Confident | 67.1 | Low | 41 Ų | 41 | 78.3 Ų | 78.3 | 22% | 0.215 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 174.2 | -75.7 | 173 | 0 | 0 | 0 | 111.4 | V244 D246 V250 T251 S252 V261 L263 F368 | V244-L248 HydrophobicContact CG1-CD1 4.32Å; V244-L248 HydrophobicContact CG1-CG 4.5Å; V244-L248 WeakPolarHBondContact O-CB 3.29Å; V244-L248 VanDerWaalsContact O-CG 3.22Å; V244-L248 WeakPolarHBondContact O-CG 3.44Å; V244-L248 PolarHBondContact O-N 3.32Å; D246-L248 VanDerWaalsContact C-N 3.32Å; D246-L248 PolarHBondContact O-N 3.5Å; L248-V250 VanDerWaalsContact C-N 3.3Å; L248-V250 PolarHBondContact O-N 3.04Å; L248-T251 PolarHBondContact O-N 2.87Å; L248-T251 VanDerWaalsContact O-N 3.11Å; L248-T251 PolarHBondContact O-OG1 3.18Å; L248-S252 PolarHBondContact O-N 3.05Å; L248-S252 PolarHBondContact O-OG 2.8Å; L248-V261 HydrophobicContact CD1-CG1 4.43Å; L248-L263 HydrophobicContact CD1-CD1 3.98Å; L248-L263 HydrophobicContact CD1-CD2 4.46Å; L248-F368 HydrophobicContact CD1-CD1 4.14Å; L248-F368 HydrophobicContact CD1-CE1 3.72Å; L248-F368 HydrophobicContact CD1-CE2 4.18Å; L248-F368 HydrophobicContact CD1-CZ 3.73Å; L248-F368 HydrophobicContact CD2-CD1 4.31Å; L248-F368 HydrophobicContact CD2-CE1 3.74Å; L248-F368 HydrophobicContact CD2-CZ 4.39Å; L248-F368 HydrophobicContact CG-CE1 4.39Å |
| 249 | A | 69.6 | Low | 66.1 | Low | 27 Ų | 27 | 79 Ų | 79 | 22% | 0.223 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.2 | -36.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | S245 D246 S252 N253 | S245-A249 WeakPolarHBondContact O-CB 3.4Å; S245-A249 PolarHBondContact O-N 2.89Å; D246-A249 WeakPolarHBondContact O-CB 3.33Å; D246-A249 PolarHBondContact O-N 3.4Å; D246-A249 VanDerWaalsContact O-N 3.17Å; A249-S252 WeakPolarHBondContact CA-OG 3.09Å; A249-S252 PolarHBondContact O-OG 2.81Å; A249-N253 WeakPolarHBondContact O-CB 3.17Å; A249-N253 PolarHBondContact O-N 3.09Å; A249-N253 VanDerWaalsContact O-N 3.13Å; A249-N253 PolarHBondContact O-ND2 2.9Å |
| 250 | V | 67.7 | Low | 65.3 | Low | 107 Ų | 107 | 78.5 Ų | 78.5 | 65% | 0.648 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.9 | -42.7 | 173.2 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | D246 D247 L248 | D246-V250 WeakPolarHBondContact O-CG2 3.45Å; D246-V250 PolarHBondContact O-N 3.15Å; D247-V250 PolarHBondContact O-N 3.33Å; L248-V250 VanDerWaalsContact C-N 3.3Å; L248-V250 PolarHBondContact O-N 3.04Å |
| 251 | T | 60.8 | Low | 64.8 | Low | 95 Ų | 95 | 80 Ų | 80 | 58% | 0.583 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -70.9 | -37.1 | 177.8 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | D247 L248 | D247-T251 PolarHBondContact O-N 3.49Å; D247-T251 VanDerWaalsContact O-N 3.1Å; L248-T251 PolarHBondContact O-N 2.87Å; L248-T251 VanDerWaalsContact O-N 3.11Å; L248-T251 PolarHBondContact O-OG1 3.18Å |
| 252 | S | 56.1 | Low | 64.6 | Low | 43 Ų | 43 | 88.3 Ų | 88.3 | 30% | 0.301 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.7 | -30.1 | -179.8 | 64.6 | 0 | 0 | 0 | 0 | 113 | L248 A249 Q254 H255 | L248-S252 PolarHBondContact O-N 3.05Å; L248-S252 PolarHBondContact O-OG 2.8Å; A249-S252 WeakPolarHBondContact CA-OG 3.09Å; A249-S252 PolarHBondContact O-OG 2.81Å; S252-Q254 PolarHBondContact O-N 3.44Å; S252-H255 PolarHBondContact O-N 2.8Å; S252-H255 VanDerWaalsContact O-O 3.07Å |
| 253 | N | 54.2 | Low | 64.8 | Low | 117 Ų | 117 | 86.4 Ų | 86.4 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -2.8 | -178.7 | -84.6 | -36.6 | 0 | 0 | 0 | 115.3 | A249 | A249-N253 WeakPolarHBondContact O-CB 3.17Å; A249-N253 PolarHBondContact O-N 3.09Å; A249-N253 VanDerWaalsContact O-N 3.13Å; A249-N253 PolarHBondContact O-ND2 2.9Å |
| 254 | Q | 52.3 | Low | 65.3 | Low | 166 Ų | 166 | 88.9 Ų | 88.9 | 78% | 0.776 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -17.1 | 166 | -62 | -169 | 3.1 | 0 | 0 | 113 | S252 | S252-Q254 PolarHBondContact O-N 3.44Š|
| 255 | H | 47.2 | Very low | 65.7 | Low | 165 Ų | 165 | 88.8 Ų | 88.8 | 76% | 0.764 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -126.4 | 106.1 | 171.8 | -66.8 | -13.2 | 0 | 0 | 0 | 108.8 | S252 | S252-H255 PolarHBondContact O-N 2.8Å; S252-H255 VanDerWaalsContact O-O 3.07Å |
| 256 | G | 42.5 | Very low | 65.9 | Low | 65 Ų | 65 | 93 Ų | 93 | 67% | 0.67 | 51% | 0.512 | S | S | * | . | trans | -65.5 | 148.9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 257 | I | 41.6 | Very low | 66.4 | Low | 179 Ų | 179 | 89.8 Ų | 89.8 | 92% | 0.918 | 49% | 0.493 | S | S | * | . | trans | 76.2 | 82.1 | 172 | -43.1 | 173.1 | 0 | 0 | 0 | 114.7 | ||||
| 258 | S | 53.4 | Low | 67.2 | Low | 81 Ų | 81 | 87.2 Ų | 87.2 | 57% | 0.566 | 48% | 0.476 | S | S | * | . | trans | -138 | 159.7 | 149 | 74.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 259 | S | 61.1 | Low | 68 | Low | 98 Ų | 98 | 86.7 Ų | 86.7 | 69% | 0.685 | 47% | 0.471 | S | S | * | . | trans | -67.9 | 155.6 | 172.9 | 44.4 | 0 | 0 | 0 | 0 | 111.6 | V261 | S259-V261 PolarHBondContact O-N 2.99Å; S259-V261 VanDerWaalsContact O-N 3.17Å | ||
| 260 | P | 65.5 | Low | 68.8 | Low | 106 Ų | 106 | 85.4 Ų | 85.4 | 69% | 0.688 | 46% | 0.46 | S | S | * | . | trans | -63.9 | 117 | 177.9 | 25.1 | -34 | 0 | 0 | 0 | 111 | R262 | P260-R262 PolarHBondContact O-N 2.89Š| ||
| 261 | V | 70.3 | Confident | 69.5 | Low | 33 Ų | 33 | 82.1 Ų | 82.1 | 20% | 0.2 | 44% | 0.437 | C | S | . | . | trans | -62.9 | 115.1 | 179.2 | 176.5 | 0 | 0 | 0 | 0 | 109.1 | S245 L248 S259 L263 E359 | S245-V261 VanDerWaalsContact CB-O 3.26Å; S245-V261 WeakPolarHBondContact CB-O 3.37Å; S245-V261 PolarHBondContact OG-O 2.76Å; L248-V261 HydrophobicContact CD1-CG1 4.43Å; S259-V261 PolarHBondContact O-N 2.99Å; S259-V261 VanDerWaalsContact O-N 3.17Å; V261-L263 HydrophobicContact CG1-CD2 4.06Å; V261-E359 HydrophobicContact CG1-CG 4.12Å | ||
| 262 | R | 79.6 | Confident | 70.7 | Confident | 188 Ų | 188 | 77.6 Ų | 77.6 | 71% | 0.709 | 41% | 0.409 | S | S | * | . | trans | -96.6 | 126.2 | 174.7 | -69.5 | -174.6 | 173.9 | -178.9 | -2.2 | 110.3 | P260 I360 | P260-R262 PolarHBondContact O-N 2.89Å; R262-I360 HydrophobicContact CB-CD1 4.08Å; R262-I360 WeakPolarHBondContact O-CG1 3.41Å; R262-I360 PolarHBondContact O-N 2.69Å | ||
| 263 | L | 84 | Confident | 71.9 | Confident | 13 Ų | 13 | 75.6 Ų | 75.6 | 7% | 0.068 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 152 | 177.5 | -61.4 | -179.7 | 0 | 0 | 0 | 112.2 | C241 V244 S245 L248 V261 L357 S358 F368 | C241-L263 HydrophobicContact CB-CB 4.29Å; V244-L263 HydrophobicContact CB-CD1 3.86Å; V244-L263 HydrophobicContact CG1-CD1 3.59Å; S245-L263 PolarHBondContact OG-N 2.86Å; L248-L263 HydrophobicContact CD1-CD1 3.98Å; L248-L263 HydrophobicContact CD1-CD2 4.46Å; V261-L263 HydrophobicContact CG1-CD2 4.06Å; L263-L357 HydrophobicContact CB-CB 4.28Å; L263-L357 HydrophobicContact CB-CD1 4.46Å; L263-L357 HydrophobicContact CD1-CB 4.16Å; L263-L357 HydrophobicContact CD1-CD1 3.79Å; L263-S358 WeakPolarHBondContact CA-O 3.43Å; L263-F368 HydrophobicContact CD1-CD2 4.46Å; L263-F368 HydrophobicContact CD2-CD2 3.69Å; L263-F368 HydrophobicContact CD2-CE2 3.66Å |
| 264 | Q | 87.1 | Confident | 73.1 | Confident | 93 Ų | 93 | 70 Ų | 70 | 44% | 0.435 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 153.4 | 166.4 | 64.7 | -177.2 | 3.7 | 0 | 0 | 110.2 | Y266 L357 S358 I360 | Q264-Y266 PolarHBondContact O-N 2.84Å; Q264-L357 CarbonylContact O-C 3.58Å; Q264-L357 VanDerWaalsContact O-CA 3.31Å; Q264-L357 WeakPolarHBondContact O-CA 3.05Å; Q264-S358 VanDerWaalsContact CG-OG 3.24Å; Q264-S358 WeakPolarHBondContact CG-OG 3.1Å; Q264-S358 PolarHBondContact N-O 3.5Å; Q264-S358 PolarHBondContact NE2-OG 3.25Å; Q264-S358 PolarHBondContact O-N 2.82Å; Q264-I360 HydrophobicContact CB-CD1 3.9Å; Q264-I360 HydrophobicContact CB-CG1 3.79Å; Q264-I360 HydrophobicContact CG-CD1 4.43Å; Q264-I360 HydrophobicContact CG-CG1 3.78Å |
| 265 | V | 86.8 | Confident | 74.5 | Confident | 25 Ų | 25 | 62.3 Ų | 62.3 | 15% | 0.152 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 119.2 | 169.2 | 178.9 | 0 | 0 | 0 | 0 | 110 | E237 R268 Y355 L357 | E237-V265 HydrophobicContact CB-CG2 3.89Å; E237-V265 HydrophobicContact CG-CG2 3.98Å; V265-R268 HydrophobicContact CG1-CG 3.79Å; V265-Y355 HydrophobicContact CB-CD1 4.34Å; V265-Y355 HydrophobicContact CG1-CD1 3.61Å; V265-Y355 HydrophobicContact CG1-CE1 3.91Å; V265-Y355 HydrophobicContact CG2-CD1 3.74Å; V265-Y355 HydrophobicContact CG2-CE1 4.01Å; V265-L357 HydrophobicContact CB-CD2 4.46Å; V265-L357 HydrophobicContact CG2-CD2 3.86Å |
| 266 | Y | 84.5 | Confident | 75.8 | Confident | 104 Ų | 104 | 54.5 Ų | 54.5 | 41% | 0.408 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -48.7 | 175.3 | -178.8 | -99.3 | 0 | 0 | 0 | 111.7 | Q264 I356 N1272 | Q264-Y266 PolarHBondContact O-N 2.84Å; Y266-I356 WeakPolarHBondContact CB-O 3.27Å; Y266-I356 PolarHBondContact N-O 2.83Å; Y266-N1272 PolarHBondContact OH-ND2 2.98Å; Y266-N1272 PolarHBondContact OH-OD1 3.42Å; Y266-N1272 VanDerWaalsContact OH-OD1 3.1Å |
| 267 | E | 86.3 | Confident | 77.2 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 16% | 0.159 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 144.6 | -175.4 | -177.1 | 179.5 | 123.6 | 0 | 0 | 110 | R269 Y288 I356 | E267-R269 WeakPolarHBondContact OE1-CD 3.28Å; E267-R269 IonicContact OE1-CZ 2.72Å; E267-R269 IonicContact OE1-NE 2.74Å; E267-R269 IonicContact OE1-NH1 3.2Å; E267-R269 PolarHBondContact OE1-NH1 2.84Å; E267-Y288 VanDerWaalsContact CD-CE1 3.5Å; E267-Y288 HydrophobicContact CG-CD1 4.06Å; E267-Y288 HydrophobicContact CG-CE1 4.12Å; E267-Y288 WeakPolarHBondContact OE1-CE1 3.4Å; E267-I356 HydrophobicContact CB-CB 3.95Å; E267-I356 HydrophobicContact CB-CD1 3.86Å; E267-I356 HydrophobicContact CB-CG1 3.92Å; E267-I356 HydrophobicContact CG-CD1 4.18Å; E267-I356 HydrophobicContact CG-CG1 4.45Å; E267-I356 PolarHBondContact N-O 2.75Å; E267-I356 PolarHBondContact O-N 2.83Å; E267-I356 WeakPolarHBondContact OE1-CD1 2.89Å |
| 268 | R | 89.2 | Confident | 78.4 | Confident | 52 Ų | 52 | 48.4 Ų | 48.4 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128 | 174.7 | -58.1 | 171.8 | -174 | 69.9 | 6.9 | 107.3 | E237 V265 L289 Y355 | E237-R268 IonicContact OE1-CZ 2.84Å; E237-R268 IonicContact OE1-NE 2.71Å; E237-R268 PolarHBondContact OE1-NE 2.91Å; E237-R268 IonicContact OE1-NH2 2.79Å; E237-R268 PolarHBondContact OE1-NH2 2.83Å; E237-R268 IonicContact OE2-CZ 3.07Å; E237-R268 IonicContact OE2-NE 2.71Å; E237-R268 IonicContact OE2-NH2 3.62Å; E237-R268 PolarHBondContact OE2-NH2 3.06Å; V265-R268 HydrophobicContact CG1-CG 3.79Å; R268-L289 HydrophobicContact CB-CB 3.88Å; R268-L289 PolarHBondContact O-N 2.68Å; R268-Y355 HydrophobicContact CG-CD1 4.11Å; R268-Y355 HydrophobicContact CG-CE1 3.67Å |
| 269 | R | 88 | Confident | 79.2 | Confident | 30 Ų | 30 | 46.3 Ų | 46.3 | 11% | 0.113 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 149.2 | -179.3 | 69 | -148.5 | -161.8 | 164.9 | -1.6 | 113.5 | E267 V286 I287 E354 | E267-R269 WeakPolarHBondContact OE1-CD 3.28Å; E267-R269 IonicContact OE1-CZ 2.72Å; E267-R269 IonicContact OE1-NE 2.74Å; E267-R269 IonicContact OE1-NH1 3.2Å; E267-R269 PolarHBondContact OE1-NH1 2.84Å; R269-V286 HydrophobicContact CB-CG1 3.85Å; R269-V286 HydrophobicContact CG-CG1 4.02Å; R269-I287 CarbonylContact C-O 3.57Å; R269-I287 VanDerWaalsContact CA-O 3.23Å; R269-I287 WeakPolarHBondContact CA-O 3.37Å; R269-E354 HydrophobicContact CG-CB 3.96Å; R269-E354 IonicContact CZ-OE1 2.71Å; R269-E354 IonicContact CZ-OE2 2.75Å; R269-E354 VanDerWaalsContact CZ-OE2 3.3Å; R269-E354 PolarHBondContact N-O 2.65Å; R269-E354 IonicContact NE-OE1 3.17Å; R269-E354 IonicContact NE-OE2 2.97Å; R269-E354 PolarHBondContact NE-OE2 2.94Å; R269-E354 IonicContact NH2-OE1 3.67Å; R269-E354 PolarHBondContact NH2-OE1 3.23Å; R269-E354 IonicContact NH2-OE2 2.66Å; R269-E354 PolarHBondContact NH2-OE2 2.79Å; R269-E354 PolarHBondContact O-N 3.13Å |
| 270 | V | 85.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 119.8 | 161.7 | -168.1 | 0 | 0 | 0 | 0 | 107.7 | I224 I226 T272 I287 L289 F351 V352 L465 | I224-V270 HydrophobicContact CG2-CG2 4.42Å; I226-V270 HydrophobicContact CD1-CG2 3.97Å; V270-T272 HydrophobicContact CG1-CG2 3.92Å; V270-I287 HydrophobicContact CB-CB 4.38Å; V270-I287 PolarHBondContact N-O 2.71Å; V270-I287 WeakPolarHBondContact O-CA 3.04Å; V270-I287 VanDerWaalsContact O-CB 3.29Å; V270-I287 WeakPolarHBondContact O-CB 3.2Å; V270-I287 WeakPolarHBondContact O-CG1 3.22Å; V270-I287 PolarHBondContact O-N 2.72Å; V270-L289 HydrophobicContact CG2-CD1 3.75Å; V270-L289 HydrophobicContact CG2-CD2 4.04Å; V270-L289 HydrophobicContact CG2-CG 4.07Å; V270-F351 HydrophobicContact CG1-CB 3.98Å; V270-F351 HydrophobicContact CG1-CD1 4.09Å; V270-V352 CarbonylContact C-O 3.54Å; V270-V352 WeakPolarHBondContact CA-O 3.28Å; V270-L465 HydrophobicContact CG1-CD1 4.2Å; V270-L465 HydrophobicContact CG2-CD1 4.44Å |
| 271 | K | 84 | Confident | 80 | Confident | 38 Ų | 38 | 39.6 Ų | 39.6 | 17% | 0.165 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 131.6 | 160.8 | -73.6 | 173.5 | 160.2 | -161.1 | 0 | 107.9 | F273 E284 V286 F351 V352 E354 | K271-F273 HydrophobicContact CB-CD1 4.4Å; K271-F273 HydrophobicContact CB-CE1 4.35Å; K271-E284 HydrophobicContact CB-CB 4.44Å; K271-E284 WeakPolarHBondContact CE-OE2 3.36Å; K271-E284 HydrophobicContact CG-CB 4.45Å; K271-E284 IonicContact NZ-OE1 2.65Å; K271-E284 PolarHBondContact NZ-OE1 3.5Å; K271-E284 IonicContact NZ-OE2 2.76Å; K271-E284 PolarHBondContact NZ-OE2 3.28Å; K271-V286 HydrophobicContact CG-CG2 4.32Å; K271-F351 CarbonylContact O-C 3.44Å; K271-F351 WeakPolarHBondContact O-CA 3.39Å; K271-V352 HydrophobicContact CB-CB 4.32Å; K271-V352 PolarHBondContact N-O 3.41Å; K271-V352 PolarHBondContact O-N 2.9Å; K271-E354 WeakPolarHBondContact CD-OE2 3.45Å; K271-E354 WeakPolarHBondContact CE-OE2 3.26Å; K271-E354 IonicContact NZ-OE2 3.29Å |
| 272 | T | 84.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 141.8 | 169.7 | 60.6 | 0 | 0 | 0 | 0 | 109.8 | V270 P285 I287 V350 F351 | V270-T272 HydrophobicContact CG1-CG2 3.92Å; T272-P285 PolarHBondContact N-O 3.4Å; T272-P285 VanDerWaalsContact N-O 3.07Å; T272-P285 WeakPolarHBondContact O-CD 3.28Å; T272-P285 WeakPolarHBondContact O-CG 3.35Å; T272-I287 HydrophobicContact CG2-CD1 3.67Å; T272-V350 VanDerWaalsContact CA-O 3.27Å; T272-V350 WeakPolarHBondContact CA-O 3.24Å; T272-F351 HydrophobicContact CG2-CD1 3.4Å; T272-F351 HydrophobicContact CG2-CE1 3.75Å; T272-F351 HydrophobicContact CG2-CG 4.13Å |
| 273 | F | 81.2 | Confident | 78.8 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 167.6 | 180 | 50.7 | -94.6 | 0 | 0 | 0 | 111.1 | K271 V280 E284 V350 V352 F453 | K271-F273 HydrophobicContact CB-CD1 4.4Å; K271-F273 HydrophobicContact CB-CE1 4.35Å; F273-V280 HydrophobicContact CB-CG1 4Å; F273-V280 HydrophobicContact CD2-CB 4.29Å; F273-V280 HydrophobicContact CD2-CG1 3.65Å; F273-V280 HydrophobicContact CD2-CG2 3.76Å; F273-V280 HydrophobicContact CE2-CG1 4.35Å; F273-V280 HydrophobicContact CE2-CG2 3.61Å; F273-V280 HydrophobicContact CG-CG1 3.92Å; F273-V280 HydrophobicContact CZ-CG2 4.38Å; F273-E284 HydrophobicContact CB-CG 4.34Å; F273-E284 HydrophobicContact CD1-CB 4.26Å; F273-E284 HydrophobicContact CD1-CG 3.77Å; F273-E284 HydrophobicContact CE1-CG 4.44Å; F273-E284 HydrophobicContact CG-CG 4.29Å; F273-V350 HydrophobicContact CD2-CB 3.87Å; F273-V350 HydrophobicContact CD2-CG2 4.16Å; F273-V350 HydrophobicContact CE1-CB 4.45Å; F273-V350 HydrophobicContact CE1-CG1 4.32Å; F273-V350 HydrophobicContact CE2-CB 3.42Å; F273-V350 VanDerWaalsContact CE2-CB 3.42Å; F273-V350 HydrophobicContact CE2-CG1 3.68Å; F273-V350 HydrophobicContact CE2-CG2 3.71Å; F273-V350 HydrophobicContact CZ-CB 3.75Å; F273-V350 HydrophobicContact CZ-CG1 3.53Å; F273-V350 HydrophobicContact CZ-CG2 4.44Å; F273-V350 PolarHBondContact N-O 3.49Å; F273-V350 VanDerWaalsContact N-O 3.09Å; F273-V350 PolarHBondContact O-N 2.84Å; F273-V352 HydrophobicContact CE1-CB 4.47Å; F273-V352 HydrophobicContact CE1-CG2 3.63Å; F273-V352 HydrophobicContact CZ-CG2 3.67Å; F273-F453 HydrophobicContact CE2-CE1 4.4Å; F273-F453 HydrophobicContact CE2-CE2 4.48Å; F273-F453 AromaticContact CE2-CZ 3.7Å; F273-F453 HydrophobicContact CE2-CZ 3.7Å; F273-F453 AromaticContact CZ-CE1 3.77Å; F273-F453 HydrophobicContact CZ-CE1 3.77Å; F273-F453 HydrophobicContact CZ-CE2 4.3Å; F273-F453 AromaticContact CZ-CZ 3.45Å; F273-F453 HydrophobicContact CZ-CZ 3.45Å; F273-F453 VanDerWaalsContact CZ-CZ 3.45Å |
| 274 | L | 81.5 | Confident | 77.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 132.9 | 173.7 | -165.7 | 77.1 | 0 | 0 | 0 | 111.2 | V280 V281 Q282 V341 P342 C347 V349 L379 | L274-V280 WeakPolarHBondContact O-CA 3.48Å; L274-V281 HydrophobicContact CB-CB 4.41Å; L274-V281 HydrophobicContact CD2-CB 4.23Å; L274-V281 HydrophobicContact CD2-CG1 4.23Å; L274-V281 PolarHBondContact O-N 2.93Å; L274-Q282 HydrophobicContact CB-CB 4.5Å; L274-V341 HydrophobicContact CD1-CB 4.49Å; L274-V341 HydrophobicContact CD1-CG1 3.91Å; L274-V341 HydrophobicContact CD1-CG2 3.95Å; L274-V341 HydrophobicContact CD2-CG1 4.25Å; L274-V341 HydrophobicContact CD2-CG2 4.48Å; L274-P342 HydrophobicContact CD2-CG 4.28Å; L274-C347 HydrophobicContact CD1-CB 3.92Å; L274-C347 HydrophobicContact CD2-CB 4.12Å; L274-C347 HydrophobicContact CG-CB 4.13Å; L274-V349 HydrophobicContact CD1-CG2 4.3Å; L274-L379 HydrophobicContact CD1-CD1 3.81Å |
| 275 | H | 79.8 | Confident | 77 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 2% | 0.023 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 123.8 | 172.3 | -170.2 | -92.9 | 0 | 0 | 0 | 110.2 | R277 T279 A348 V350 | H275-R277 VanDerWaalsContact C-N 3.3Å; H275-R277 PolarHBondContact ND1-N 3.47Å; H275-R277 PolarHBondContact O-N 3.27Å; H275-T279 WeakPolarHBondContact CA-O 3.21Å; H275-T279 PolarHBondContact CD2-O 3.38Å; H275-A348 PolarHBondContact N-O 3.05Å; H275-A348 PolarHBondContact O-N 3.03Å; H275-V350 HydrophobicContact CB-CG2 3.52Å |
| 276 | N | 75.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -90.3 | 25.3 | -174.8 | 68.3 | -8.6 | 0 | 0 | 0 | 114.4 | L186 P200 F278 T279 V281 | L186-N276 PolarHBondContact O-ND2 3.01Å; P200-N276 HydrophobicContact CB-CB 4.11Å; P200-N276 WeakPolarHBondContact CD-O 3.35Å; P200-N276 VanDerWaalsContact CG-O 3.24Å; P200-N276 WeakPolarHBondContact CG-O 3.35Å; P200-N276 WeakPolarHBondContact O-CB 3.45Å; P200-N276 PolarHBondContact O-ND2 2.93Å; N276-F278 WeakPolarHBondContact O-CD2 3.32Å; N276-F278 PolarHBondContact O-N 3.27Å; N276-F278 WeakPolarHBondContact OD1-CA 3.3Å; N276-F278 WeakPolarHBondContact OD1-CB 3.42Å; N276-F278 PolarHBondContact OD1-N 3.49Å; N276-F278 VanDerWaalsContact OD1-N 3.07Å; N276-T279 PolarHBondContact N-O 2.84Å; N276-T279 VanDerWaalsContact N-O 3.11Å; N276-T279 PolarHBondContact OD1-N 2.82Å; N276-T279 PolarHBondContact OD1-O 2.8Å; N276-T279 VanDerWaalsContact OD1-O 3.09Å; N276-V281 HydrophobicContact CB-CG2 3.58Å | ||
| 277 | R | 71.3 | Confident | 76.4 | Confident | 82 Ų | 82 | 31.3 Ų | 31.3 | 31% | 0.309 | 16% | 0.158 | S | C | . | . | S | Bend | trans | 61 | 9.7 | -166.8 | -53.6 | 173.7 | -171.5 | 179.8 | 3.6 | 114.9 | H275 G346 V445 C446 | H275-R277 VanDerWaalsContact C-N 3.3Å; H275-R277 PolarHBondContact ND1-N 3.47Å; H275-R277 PolarHBondContact O-N 3.27Å; R277-G346 WeakPolarHBondContact CD-O 3.44Å; R277-G346 VanDerWaalsContact CG-O 3.32Å; R277-G346 WeakPolarHBondContact CG-O 3.28Å; R277-G346 PolarHBondContact NE-O 3.39Å; R277-V445 CarbonylContact C-O 3.57Å; R277-V445 CarbonylContact O-C 3.55Å; R277-C446 WeakPolarHBondContact CA-O 3.45Å |
| 278 | F | 67.8 | Low | 76.5 | Confident | 35 Ų | 35 | 34 Ų | 34 | 15% | 0.154 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -131.6 | -40 | 174.6 | -71.1 | -109.1 | 0 | 0 | 0 | 113.2 | P188 V193 N276 V445 | P188-F278 HydrophobicContact CG-CB 4.09Å; P188-F278 HydrophobicContact CG-CD1 4.42Å; V193-F278 HydrophobicContact CG1-CD1 4.35Å; V193-F278 HydrophobicContact CG1-CE1 3.87Å; V193-F278 HydrophobicContact CG2-CD1 4.45Å; N276-F278 WeakPolarHBondContact O-CD2 3.32Å; N276-F278 PolarHBondContact O-N 3.27Å; N276-F278 WeakPolarHBondContact OD1-CA 3.3Å; N276-F278 WeakPolarHBondContact OD1-CB 3.42Å; N276-F278 PolarHBondContact OD1-N 3.49Å; N276-F278 VanDerWaalsContact OD1-N 3.07Å; F278-V445 HydrophobicContact CB-CG1 4.1Å; F278-V445 HydrophobicContact CD1-CB 3.96Å; F278-V445 HydrophobicContact CD1-CG1 3.5Å; F278-V445 HydrophobicContact CD1-CG2 4.19Å; F278-V445 HydrophobicContact CE1-CB 4.15Å; F278-V445 HydrophobicContact CE1-CG1 4.11Å; F278-V445 HydrophobicContact CE1-CG2 3.94Å; F278-V445 HydrophobicContact CG-CB 4.3Å; F278-V445 HydrophobicContact CG-CG1 3.92Å |
| 279 | T | 69.8 | Low | 76.4 | Confident | 36 Ų | 36 | 31.8 Ų | 31.8 | 22% | 0.221 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -158 | 173.8 | 178.2 | -162.9 | 0 | 0 | 0 | 0 | 111.7 | Y185 H275 N276 | Y185-T279 WeakPolarHBondContact O-CG2 3.15Å; H275-T279 WeakPolarHBondContact CA-O 3.21Å; H275-T279 PolarHBondContact CD2-O 3.38Å; N276-T279 PolarHBondContact N-O 2.84Å; N276-T279 VanDerWaalsContact N-O 3.11Å; N276-T279 PolarHBondContact OD1-N 2.82Å; N276-T279 PolarHBondContact OD1-O 2.8Å; N276-T279 VanDerWaalsContact OD1-O 3.09Å |
| 280 | V | 72.5 | Confident | 76.3 | Confident | 50 Ų | 50 | 33.5 Ų | 33.5 | 30% | 0.303 | 17% | 0.171 | S | C | . | . | B | Isolated β-bridge | trans | -78 | 123 | 169.1 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | F273 L274 Q282 | F273-V280 HydrophobicContact CB-CG1 4Å; F273-V280 HydrophobicContact CD2-CB 4.29Å; F273-V280 HydrophobicContact CD2-CG1 3.65Å; F273-V280 HydrophobicContact CD2-CG2 3.76Å; F273-V280 HydrophobicContact CE2-CG1 4.35Å; F273-V280 HydrophobicContact CE2-CG2 3.61Å; F273-V280 HydrophobicContact CG-CG1 3.92Å; F273-V280 HydrophobicContact CZ-CG2 4.38Å; L274-V280 WeakPolarHBondContact O-CA 3.48Å; V280-Q282 WeakPolarHBondContact CG1-O 3.22Å |
| 281 | V | 70.3 | Confident | 76.2 | Confident | 13 Ų | 13 | 36.7 Ų | 36.7 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | trans | -92.7 | -38.4 | -169.6 | 172.3 | 0 | 0 | 0 | 0 | 112.9 | Y185 L186 L274 N276 | Y185-V281 HydrophobicContact CD2-CG1 3.85Å; Y185-V281 WeakPolarHBondContact CD2-O 3.22Å; Y185-V281 HydrophobicContact CE2-CG1 3.92Å; L186-V281 HydrophobicContact CD2-CB 4.4Å; L186-V281 HydrophobicContact CD2-CG1 3.61Å; L186-V281 HydrophobicContact CD2-CG2 3.88Å; L274-V281 HydrophobicContact CB-CB 4.41Å; L274-V281 HydrophobicContact CD2-CB 4.23Å; L274-V281 HydrophobicContact CD2-CG1 4.23Å; L274-V281 PolarHBondContact O-N 2.93Å; N276-V281 HydrophobicContact CB-CG2 3.58Å | ||
| 282 | Q | 66.5 | Low | 76 | Confident | 35 Ų | 35 | 36.2 Ų | 36.2 | 16% | 0.164 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -116.8 | 145 | -174.7 | -167.1 | -176.8 | 1.8 | 0 | 0 | 109.2 | L274 V280 L339 L340 | L274-Q282 HydrophobicContact CB-CB 4.5Å; V280-Q282 WeakPolarHBondContact CG1-O 3.22Å; Q282-L339 VanDerWaalsContact OE1-CA 3.32Å; Q282-L340 PolarHBondContact OE1-O 2.89Å |
| 283 | P | 58.1 | Low | 75.5 | Confident | 81 Ų | 81 | 39.3 Ų | 39.3 | 53% | 0.526 | 20% | 0.201 | S | C | . | . | trans | -49.9 | 151.4 | 169 | 20.3 | -35 | 0 | 0 | 0 | 112.5 | P285 | P283-P285 WeakPolarHBondContact O-CD 3.47Š| ||
| 284 | E | 65.4 | Low | 74.7 | Confident | 80 Ų | 80 | 42.1 Ų | 42.1 | 37% | 0.374 | 21% | 0.214 | S | C | . | . | trans | -85.6 | 100.4 | -173.4 | -50 | 172.6 | 128.4 | 0 | 0 | 112 | K271 F273 V286 | K271-E284 HydrophobicContact CB-CB 4.44Å; K271-E284 WeakPolarHBondContact CE-OE2 3.36Å; K271-E284 HydrophobicContact CG-CB 4.45Å; K271-E284 IonicContact NZ-OE1 2.65Å; K271-E284 PolarHBondContact NZ-OE1 3.5Å; K271-E284 IonicContact NZ-OE2 2.76Å; K271-E284 PolarHBondContact NZ-OE2 3.28Å; F273-E284 HydrophobicContact CB-CG 4.34Å; F273-E284 HydrophobicContact CD1-CB 4.26Å; F273-E284 HydrophobicContact CD1-CG 3.77Å; F273-E284 HydrophobicContact CE1-CG 4.44Å; F273-E284 HydrophobicContact CG-CG 4.29Å; E284-V286 PolarHBondContact O-N 2.89Å; E284-V286 VanDerWaalsContact O-N 3.13Å | ||
| 285 | P | 67.7 | Low | 73.6 | Confident | 37 Ų | 37 | 45.8 Ų | 45.8 | 24% | 0.24 | 24% | 0.24 | C | C | . | . | trans | -56.4 | 118.1 | 161.7 | 15.7 | -28.9 | 0 | 0 | 0 | 111.2 | T272 P283 A337 L339 | T272-P285 PolarHBondContact N-O 3.4Å; T272-P285 VanDerWaalsContact N-O 3.07Å; T272-P285 WeakPolarHBondContact O-CD 3.28Å; T272-P285 WeakPolarHBondContact O-CG 3.35Å; P283-P285 WeakPolarHBondContact O-CD 3.47Å; P285-A337 HydrophobicContact CB-CB 4.18Å; P285-A337 HydrophobicContact CG-CB 4.32Å; P285-L339 HydrophobicContact CG-CD2 3.74Å | ||
| 286 | V | 77.7 | Confident | 72.5 | Confident | 46 Ų | 46 | 51 Ų | 51 | 28% | 0.279 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 116.5 | 177.4 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | R269 K271 E284 Y288 | R269-V286 HydrophobicContact CB-CG1 3.85Å; R269-V286 HydrophobicContact CG-CG1 4.02Å; K271-V286 HydrophobicContact CG-CG2 4.32Å; E284-V286 PolarHBondContact O-N 2.89Å; E284-V286 VanDerWaalsContact O-N 3.13Å; V286-Y288 HydrophobicContact CG1-CE2 4.42Å |
| 287 | I | 82.7 | Confident | 71.2 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 101.9 | -174.4 | -49.8 | 179.9 | 0 | 0 | 0 | 109 | I224 R269 V270 T272 A333 N335 A337 | I224-I287 HydrophobicContact CD1-CD1 3.31Å; I224-I287 HydrophobicContact CD1-CG2 4.26Å; R269-I287 CarbonylContact C-O 3.57Å; R269-I287 VanDerWaalsContact CA-O 3.23Å; R269-I287 WeakPolarHBondContact CA-O 3.37Å; V270-I287 HydrophobicContact CB-CB 4.38Å; V270-I287 PolarHBondContact N-O 2.71Å; V270-I287 WeakPolarHBondContact O-CA 3.04Å; V270-I287 VanDerWaalsContact O-CB 3.29Å; V270-I287 WeakPolarHBondContact O-CB 3.2Å; V270-I287 WeakPolarHBondContact O-CG1 3.22Å; V270-I287 PolarHBondContact O-N 2.72Å; T272-I287 HydrophobicContact CG2-CD1 3.67Å; I287-A333 HydrophobicContact CG2-CB 3.46Å; I287-A333 VanDerWaalsContact CG2-CB 3.46Å; I287-N335 WeakPolarHBondContact CG2-O 3.46Å; I287-A337 HydrophobicContact CD1-CB 3.57Å; I287-A337 HydrophobicContact CG1-CB 4.19Å |
| 288 | Y | 86.8 | Confident | 70.1 | Confident | 91 Ų | 91 | 60 Ų | 60 | 36% | 0.357 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 134.2 | 178.9 | -61.4 | -86 | 0 | 0 | 0 | 111.7 | E267 V286 A333 R334 | E267-Y288 VanDerWaalsContact CD-CE1 3.5Å; E267-Y288 HydrophobicContact CG-CD1 4.06Å; E267-Y288 HydrophobicContact CG-CE1 4.12Å; E267-Y288 WeakPolarHBondContact OE1-CE1 3.4Å; V286-Y288 HydrophobicContact CG1-CE2 4.42Å; Y288-A333 WeakPolarHBondContact O-CA 3.32Å; Y288-R334 PolarHBondContact O-N 2.83Å |
| 289 | L | 87.8 | Confident | 69 | Low | 6 Ų | 6 | 63.4 Ų | 63.4 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 126.3 | 179.9 | -65.8 | 175.7 | 0 | 0 | 0 | 111.6 | I226 R268 V270 L331 I332 A333 L353 | I226-L289 HydrophobicContact CD1-CD1 3.78Å; R268-L289 HydrophobicContact CB-CB 3.88Å; R268-L289 PolarHBondContact O-N 2.68Å; V270-L289 HydrophobicContact CG2-CD1 3.75Å; V270-L289 HydrophobicContact CG2-CD2 4.04Å; V270-L289 HydrophobicContact CG2-CG 4.07Å; L289-L331 HydrophobicContact CB-CB 4.21Å; L289-L331 HydrophobicContact CD1-CB 4.04Å; L289-L331 HydrophobicContact CD1-CD1 3.77Å; L289-L331 HydrophobicContact CD2-CB 4.36Å; L289-L331 HydrophobicContact CG-CB 4.46Å; L289-I332 CarbonylContact C-O 3.58Å; L289-I332 WeakPolarHBondContact CA-O 3.5Å; L289-A333 HydrophobicContact CD2-CB 4.27Å; L289-L353 HydrophobicContact CD1-CD1 3.75Å |
| 290 | D | 84.9 | Confident | 67.7 | Low | 65 Ų | 65 | 64.1 Ų | 64.1 | 35% | 0.348 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 148.3 | 166.1 | -77.9 | -45.6 | 0 | 0 | 0 | 111.5 | L331 I332 R334 | D290-L331 CarbonylContact O-C 3.54Å; D290-L331 VanDerWaalsContact O-CA 3.29Å; D290-L331 WeakPolarHBondContact O-CA 3.4Å; D290-I332 PolarHBondContact N-O 2.86Å; D290-I332 PolarHBondContact O-N 3.16Å; D290-R334 VanDerWaalsContact CG-NE 3.34Å; D290-R334 IonicContact OD1-CZ 2.65Å; D290-R334 IonicContact OD1-NE 2.66Å; D290-R334 PolarHBondContact OD1-NE 3.07Å; D290-R334 IonicContact OD1-NH2 3.3Å; D290-R334 PolarHBondContact OD1-NH2 2.9Å; D290-R334 VanDerWaalsContact OD2-CG 3.29Å; D290-R334 WeakPolarHBondContact OD2-CG 3.43Å; D290-R334 IonicContact OD2-CZ 3.79Å; D290-R334 IonicContact OD2-NE 3.41Å; D290-R334 PolarHBondContact OD2-NE 2.91Å; D290-R334 IonicContact OD2-NH2 2.94Å; D290-R334 PolarHBondContact OD2-NH2 3.48Å |
| 291 | K | 83.6 | Confident | 66 | Low | 67 Ų | 67 | 67.5 Ų | 67.5 | 29% | 0.291 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 121.6 | 175.3 | -174.8 | 178.1 | 177.4 | -177.6 | 0 | 109.4 | E329 Y330 L331 | K291-E329 WeakPolarHBondContact CE-OE1 3.4Å; K291-E329 WeakPolarHBondContact CE-OE2 3.3Å; K291-E329 IonicContact NZ-OE1 3.97Å; K291-E329 PolarHBondContact NZ-OE1 2.79Å; K291-E329 IonicContact NZ-OE2 3.94Å; K291-E329 PolarHBondContact NZ-OE2 3.46Å; K291-Y330 WeakPolarHBondContact CA-O 3.48Å; K291-L331 HydrophobicContact CB-CD2 3.95Å; K291-L331 HydrophobicContact CG-CD2 4.23Å |
| 292 | V | 80.9 | Confident | 64.3 | Low | 29 Ų | 29 | 70.3 Ų | 70.3 | 18% | 0.176 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 143 | -173.3 | -179.8 | 0 | 0 | 0 | 0 | 110 | E296 Y330 I332 | V292-E296 HydrophobicContact CG1-CB 4.2Å; V292-Y330 PolarHBondContact N-O 2.83Å; V292-Y330 PolarHBondContact O-N 2.86Å; V292-I332 HydrophobicContact CB-CD1 3.9Å; V292-I332 HydrophobicContact CB-CG1 4.42Å; V292-I332 HydrophobicContact CG1-CD1 4.17Å; V292-I332 HydrophobicContact CG2-CD1 3.95Å; V292-I332 HydrophobicContact CG2-CG1 4.32Å |
| 293 | I | 74 | Confident | 62.6 | Low | 64 Ų | 64 | 79.1 Ų | 79.1 | 33% | 0.328 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 142 | 178.8 | -57.6 | 177.4 | 0 | 0 | 0 | 109.5 | S295 E296 S327 | I293-S295 PolarHBondContact O-N 3.11Å; I293-E296 PolarHBondContact O-N 2.81Å; I293-S327 WeakPolarHBondContact CG2-OG 3.36Å |
| 294 | E | 65 | Low | 61.2 | Low | 59 Ų | 59 | 85.1 Ų | 85.1 | 28% | 0.276 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -48.5 | -36.6 | -173.8 | -158 | 163.4 | -152.6 | 0 | 0 | 114 | E296 R297 K328 Y330 | E294-E296 VanDerWaalsContact C-N 3.28Å; E294-E296 PolarHBondContact O-N 3.31Å; E294-R297 WeakPolarHBondContact O-CB 3.21Å; E294-R297 PolarHBondContact O-N 2.94Å; E294-K328 HydrophobicContact CB-CB 4.39Å; E294-K328 PolarHBondContact N-O 2.78Å; E294-K328 IonicContact OE1-NZ 2.83Å; E294-K328 PolarHBondContact OE1-NZ 3.26Å; E294-K328 VanDerWaalsContact OE2-CB 3.29Å; E294-K328 WeakPolarHBondContact OE2-CB 3.41Å; E294-K328 VanDerWaalsContact OE2-CG 3.26Å; E294-K328 WeakPolarHBondContact OE2-CG 3.23Å; E294-K328 PolarHBondContact OE2-N 3.2Å; E294-K328 IonicContact OE2-NZ 2.95Å; E294-Y330 HydrophobicContact CB-CE2 3.93Å; E294-Y330 HydrophobicContact CG-CE2 3.85Å; E294-Y330 PolarHBondContact OE1-OH 3.41Å |
| 295 | S | 57.8 | Low | 59.6 | Low | 78 Ų | 78 | 86.3 Ų | 86.3 | 55% | 0.545 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.9 | -20.7 | 178.5 | 48.1 | 0 | 0 | 0 | 0 | 115.3 | I293 | I293-S295 PolarHBondContact O-N 3.11Å |
| 296 | E | 57.1 | Low | 57.7 | Low | 113 Ų | 113 | 89.6 Ų | 89.6 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -85.8 | -21.2 | 177.3 | -60.3 | -176.5 | 134 | 0 | 0 | 112.3 | V292 I293 E294 S300 | V292-E296 HydrophobicContact CG1-CB 4.2Å; I293-E296 PolarHBondContact O-N 2.81Å; E294-E296 VanDerWaalsContact C-N 3.28Å; E294-E296 PolarHBondContact O-N 3.31Å; E296-S300 PolarHBondContact O-OG 2.93Å |
| 297 | R | 47.7 | Very low | 55.5 | Low | 97 Ų | 97 | 92.6 Ų | 92.6 | 37% | 0.366 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.6 | -38.7 | -178.8 | -110 | -177.5 | 172 | -173.3 | -2.2 | 112.9 | S225 E294 S299 S300 | S225-R297 PolarHBondContact OG-NH2 3.01Å; E294-R297 WeakPolarHBondContact O-CB 3.21Å; E294-R297 PolarHBondContact O-N 2.94Å; R297-S299 VanDerWaalsContact C-N 3.26Å; R297-S299 PolarHBondContact O-N 3.27Å; R297-S300 PolarHBondContact O-OG 3.28Å |
| 298 | E | 46.9 | Very low | 52.9 | Low | 174 Ų | 174 | 98.1 Ų | 98.1 | 81% | 0.813 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -22.9 | 179 | -60.9 | -167.2 | 150.2 | 0 | 0 | 112.8 | ||
| 299 | S | 46.6 | Very low | 50.3 | Low | 108 Ų | 108 | 101.4 Ų | 101.4 | 76% | 0.755 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -7.1 | -178.4 | -62.4 | 0 | 0 | 0 | 0 | 114.6 | R297 | R297-S299 VanDerWaalsContact C-N 3.26Å; R297-S299 PolarHBondContact O-N 3.27Å |
| 300 | S | 40.6 | Very low | 47.5 | Very low | 51 Ų | 51 | 106.6 Ų | 106.6 | 36% | 0.357 | 61% | 0.607 | S | S | . | * | trans | -118.7 | 5.1 | -162.9 | 45.4 | 0 | 0 | 0 | 0 | 115.8 | E296 R297 G302 R303 | E296-S300 PolarHBondContact O-OG 2.93Å; R297-S300 PolarHBondContact O-OG 3.28Å; S300-G302 PolarHBondContact O-N 3.29Å; S300-R303 PolarHBondContact O-N 3.48Å | ||
| 301 | S | 37.8 | Very low | 44.8 | Very low | 120 Ų | 120 | 107.1 Ų | 107.1 | 84% | 0.839 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 4.9 | -176.4 | 59.1 | 0 | 0 | 0 | 0 | 117 | ||
| 302 | G | 34.2 | Very low | 42.2 | Very low | 72 Ų | 72 | 113.8 Ų | 113.8 | 74% | 0.742 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.1 | 5.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | S300 | S300-G302 PolarHBondContact O-N 3.29Š|
| 303 | R | 31.3 | Very low | 39.7 | Very low | 220 Ų | 220 | 118.5 Ų | 118.5 | 83% | 0.83 | 69% | 0.685 | S | S | * | * | trans | -145.2 | 127.1 | 176.5 | -71.3 | -175.5 | 176.1 | 158.4 | -0.1 | 110.8 | S300 S305 | S300-R303 PolarHBondContact O-N 3.48Å; R303-S305 PolarHBondContact O-N 3.42Å | ||
| 304 | K | 29.3 | Very low | 37.6 | Very low | 207 Ų | 207 | 121.7 Ų | 121.7 | 90% | 0.9 | 71% | 0.708 | S | S | * | * | trans | -65.7 | 119.2 | 165.4 | -71 | -175.1 | 175.6 | -176.4 | 0 | 108.6 | S306 | K304-S306 PolarHBondContact O-N 3.39Š| ||
| 305 | S | 30.8 | Very low | 35.8 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | -70.1 | 114 | 177.7 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | R303 A307 | R303-S305 PolarHBondContact O-N 3.42Å; S305-A307 PolarHBondContact O-N 2.71Å; S305-A307 VanDerWaalsContact O-N 3.09Å | ||
| 306 | S | 27.6 | Very low | 34.6 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -63.7 | 109.8 | 174.1 | -55.2 | 0 | 0 | 0 | 0 | 110.4 | K304 T308 | K304-S306 PolarHBondContact O-N 3.39Å; S306-T308 PolarHBondContact O-N 2.92Å; S306-T308 PolarHBondContact O-OG1 2.81Å | ||
| 307 | A | 31.3 | Very low | 33.2 | Very low | 109 Ų | 109 | 133 Ų | 133 | 90% | 0.901 | 76% | 0.756 | S | S | * | * | trans | -63.7 | 98 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S305 | S305-A307 PolarHBondContact O-N 2.71Å; S305-A307 VanDerWaalsContact O-N 3.09Å | ||
| 308 | T | 29.8 | Very low | 32.2 | Very low | 118 Ų | 118 | 134 Ų | 134 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | -103.2 | 117.6 | -173.6 | -53 | 0 | 0 | 0 | 0 | 111.2 | S306 | S306-T308 PolarHBondContact O-N 2.92Å; S306-T308 PolarHBondContact O-OG1 2.81Å | ||
| 309 | L | 32 | Very low | 31.4 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | 66.7 | 133.9 | 168.3 | -108 | 73.9 | 0 | 0 | 0 | 120.1 | ||||
| 310 | V | 28.2 | Very low | 30.6 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -61.6 | 141.3 | 159.7 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 311 | G | 28.2 | Very low | 30.1 | Very low | 75 Ų | 75 | 137.3 Ų | 137.3 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | 65.4 | 72.8 | 144.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 312 | K | 29.7 | Very low | 29.9 | Very low | 207 Ų | 207 | 137.3 Ų | 137.3 | 90% | 0.9 | 80% | 0.802 | S | S | * | * | trans | -111.7 | 107 | 163.6 | -150.7 | 170.2 | -170.2 | 175.7 | 0 | 110.6 | V314 | K312-V314 PolarHBondContact O-N 2.6Š| ||
| 313 | T | 28.8 | Very low | 29.7 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -67.1 | 118 | -176.3 | 49.6 | 0 | 0 | 0 | 0 | 112.4 | R315 | T313-R315 PolarHBondContact O-N 2.54Š| ||
| 314 | V | 30.1 | Very low | 29.8 | Very low | 131 Ų | 131 | 136 Ų | 136 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -79.2 | 108.7 | 162.9 | 179 | 0 | 0 | 0 | 0 | 108.3 | K312 I316 | K312-V314 PolarHBondContact O-N 2.6Å; V314-I316 HydrophobicContact CG1-CG1 4.27Å; V314-I316 PolarHBondContact O-N 2.8Å | ||
| 315 | R | 26.3 | Very low | 30.3 | Very low | 226 Ų | 226 | 131.6 Ų | 131.6 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -77.2 | 107.2 | 167.6 | -77.8 | -177.5 | 173.6 | 173.5 | -2.2 | 108.8 | T313 S317 | T313-R315 PolarHBondContact O-N 2.54Å; R315-S317 PolarHBondContact O-N 2.96Å; R315-S317 VanDerWaalsContact O-N 3.11Å | ||
| 316 | I | 32.8 | Very low | 31.2 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | trans | -78.4 | 91.1 | 165.4 | -57.9 | 179 | 0 | 0 | 0 | 107.9 | V314 | V314-I316 HydrophobicContact CG1-CG1 4.27Å; V314-I316 PolarHBondContact O-N 2.8Å | ||
| 317 | S | 28.4 | Very low | 32.6 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -78.5 | 123.2 | 165 | 47.7 | 0 | 0 | 0 | 0 | 109.3 | R315 S319 | R315-S317 PolarHBondContact O-N 2.96Å; R315-S317 VanDerWaalsContact O-N 3.11Å; S317-S319 PolarHBondContact O-N 3.34Å | ||
| 318 | S | 26.7 | Very low | 34.3 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | -78.5 | 106.3 | -172.8 | 54.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 319 | S | 28.4 | Very low | 36.3 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | trans | -159.5 | 120.7 | 165.9 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | S317 | S317-S319 PolarHBondContact O-N 3.34Š| ||
| 320 | N | 31.5 | Very low | 38.7 | Very low | 155 Ų | 155 | 119.2 Ų | 119.2 | 83% | 0.829 | 70% | 0.695 | S | S | * | * | trans | 54.4 | 87.1 | 150 | -59.2 | 1.3 | 0 | 0 | 0 | 120.4 | ||||
| 321 | V | 30.1 | Very low | 41.4 | Very low | 149 Ų | 149 | 113.9 Ų | 113.9 | 90% | 0.903 | 66% | 0.662 | S | S | * | * | 23.6 | 115.4 | 126.7 | -173.5 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 322 | S | 32.4 | Very low | 44.2 | Very low | 120 Ų | 120 | 112.3 Ų | 112.3 | 84% | 0.839 | 64% | 0.636 | S | S | * | * | trans | -155.2 | 165.2 | 133.7 | 27.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 323 | S | 30.7 | Very low | 46.8 | Very low | 95 Ų | 95 | 103.6 Ų | 103.6 | 66% | 0.664 | 60% | 0.602 | S | S | * | * | trans | -88 | 175.3 | -157.2 | 50.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 324 | E | 32.5 | Very low | 49.1 | Very low | 170 Ų | 170 | 104.7 Ų | 104.7 | 79% | 0.794 | 59% | 0.592 | S | S | * | * | trans | 74.4 | 77.3 | 156.1 | -71.6 | 148.3 | -113.7 | 0 | 0 | 119.8 | ||||
| 325 | S | 40.8 | Very low | 51.3 | Low | 114 Ų | 114 | 103.1 Ų | 103.1 | 80% | 0.797 | 58% | 0.579 | S | S | * | * | 179 | 127.1 | 110.3 | 39.7 | 0 | 0 | 0 | 0 | 112.4 | S327 | S325-S327 PolarHBondContact O-N 3.16Š| |||
| 326 | S | 48.1 | Very low | 53.8 | Low | 111 Ų | 111 | 96.4 Ų | 96.4 | 78% | 0.776 | 56% | 0.56 | S | S | * | * | trans | -88.8 | 75.6 | -177.6 | 61.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 327 | S | 58.7 | Low | 56.1 | Low | 54 Ų | 54 | 89.1 Ų | 89.1 | 38% | 0.378 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 132.4 | 171.6 | 49.7 | 0 | 0 | 0 | 0 | 110.3 | I293 S325 | I293-S327 WeakPolarHBondContact CG2-OG 3.36Å; S325-S327 PolarHBondContact O-N 3.16Å |
| 328 | K | 66 | Low | 58.7 | Low | 113 Ų | 113 | 88.1 Ų | 88.1 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 144.2 | -179.7 | -62 | -174.9 | -152.1 | 101.5 | 0 | 111.2 | E294 Y330 | E294-K328 HydrophobicContact CB-CB 4.39Å; E294-K328 PolarHBondContact N-O 2.78Å; E294-K328 IonicContact OE1-NZ 2.83Å; E294-K328 PolarHBondContact OE1-NZ 3.26Å; E294-K328 VanDerWaalsContact OE2-CB 3.29Å; E294-K328 WeakPolarHBondContact OE2-CB 3.41Å; E294-K328 VanDerWaalsContact OE2-CG 3.26Å; E294-K328 WeakPolarHBondContact OE2-CG 3.23Å; E294-K328 PolarHBondContact OE2-N 3.2Å; E294-K328 IonicContact OE2-NZ 2.95Å; K328-Y330 HydrophobicContact CB-CE2 3.81Å |
| 329 | E | 72.6 | Confident | 61.2 | Low | 31 Ų | 31 | 82.4 Ų | 82.4 | 15% | 0.145 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 136.4 | 172 | -54.4 | -170.3 | 128.6 | 0 | 0 | 109.5 | I233 A234 K291 | I233-E329 WeakPolarHBondContact CA-OE2 3.38Å; I233-E329 HydrophobicContact CB-CB 4.21Å; I233-E329 WeakPolarHBondContact CB-OE2 3.34Å; I233-E329 HydrophobicContact CD1-CB 3.97Å; I233-E329 VanDerWaalsContact CD1-O 3.28Å; I233-E329 WeakPolarHBondContact CD1-O 3.23Å; I233-E329 HydrophobicContact CG1-CB 4.13Å; I233-E329 PolarHBondContact N-OE2 3.3Å; A234-E329 PolarHBondContact N-OE2 3.23Å; K291-E329 WeakPolarHBondContact CE-OE1 3.4Å; K291-E329 WeakPolarHBondContact CE-OE2 3.3Å; K291-E329 IonicContact NZ-OE1 3.97Å; K291-E329 PolarHBondContact NZ-OE1 2.79Å; K291-E329 IonicContact NZ-OE2 3.94Å; K291-E329 PolarHBondContact NZ-OE2 3.46Å |
| 330 | Y | 80.8 | Confident | 63.6 | Low | 32 Ų | 32 | 80.7 Ų | 80.7 | 13% | 0.125 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 147.4 | 177.1 | -67 | -97.9 | 0 | 0 | 0 | 109.6 | T227 K291 V292 E294 K328 | T227-Y330 HydrophobicContact CG2-CD1 3.56Å; T227-Y330 HydrophobicContact CG2-CE1 3.44Å; T227-Y330 VanDerWaalsContact CG2-CE1 3.44Å; K291-Y330 WeakPolarHBondContact CA-O 3.48Å; V292-Y330 PolarHBondContact N-O 2.83Å; V292-Y330 PolarHBondContact O-N 2.86Å; E294-Y330 HydrophobicContact CB-CE2 3.93Å; E294-Y330 HydrophobicContact CG-CE2 3.85Å; E294-Y330 PolarHBondContact OE1-OH 3.41Å; K328-Y330 HydrophobicContact CB-CE2 3.81Å |
| 331 | L | 85.1 | Confident | 65.6 | Low | 3 Ų | 3 | 73.3 Ų | 73.3 | 2% | 0.016 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.6 | 155.6 | -57.7 | -178.2 | 0 | 0 | 0 | 109 | S225 I226 I233 L289 D290 K291 | S225-L331 CarbonylContact C-O 3.6Å; S225-L331 WeakPolarHBondContact CA-O 3.37Å; S225-L331 VanDerWaalsContact CB-O 3.24Å; S225-L331 WeakPolarHBondContact CB-O 3.45Å; I226-L331 HydrophobicContact CB-CB 4.19Å; I226-L331 PolarHBondContact N-O 2.76Å; I226-L331 PolarHBondContact O-N 3.03Å; I233-L331 HydrophobicContact CD1-CD2 4.46Å; I233-L331 HydrophobicContact CD1-CG 4.13Å; I233-L331 HydrophobicContact CG2-CD2 4.25Å; L289-L331 HydrophobicContact CB-CB 4.21Å; L289-L331 HydrophobicContact CD1-CB 4.04Å; L289-L331 HydrophobicContact CD1-CD1 3.77Å; L289-L331 HydrophobicContact CD2-CB 4.36Å; L289-L331 HydrophobicContact CG-CB 4.46Å; D290-L331 CarbonylContact O-C 3.54Å; D290-L331 VanDerWaalsContact O-CA 3.29Å; D290-L331 WeakPolarHBondContact O-CA 3.4Å; K291-L331 HydrophobicContact CB-CD2 3.95Å; K291-L331 HydrophobicContact CG-CD2 4.23Å |
| 332 | I | 87 | Confident | 67.5 | Low | 42 Ų | 42 | 66.2 Ų | 66.2 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 134.4 | -178.7 | -52.8 | -178.3 | 0 | 0 | 0 | 109 | L289 D290 V292 | L289-I332 CarbonylContact C-O 3.58Å; L289-I332 WeakPolarHBondContact CA-O 3.5Å; D290-I332 PolarHBondContact N-O 2.86Å; D290-I332 PolarHBondContact O-N 3.16Å; V292-I332 HydrophobicContact CB-CD1 3.9Å; V292-I332 HydrophobicContact CB-CG1 4.42Å; V292-I332 HydrophobicContact CG1-CD1 4.17Å; V292-I332 HydrophobicContact CG2-CD1 3.95Å; V292-I332 HydrophobicContact CG2-CG1 4.32Å |
| 333 | A | 84.6 | Confident | 69.4 | Low | 23 Ų | 23 | 64.3 Ų | 64.3 | 19% | 0.19 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 141.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I224 I287 Y288 L289 | I224-A333 HydrophobicContact CB-CB 3.75Å; I224-A333 HydrophobicContact CG2-CB 4.29Å; I224-A333 WeakPolarHBondContact O-CB 3.39Å; I224-A333 PolarHBondContact O-N 3.2Å; I287-A333 HydrophobicContact CG2-CB 3.46Å; I287-A333 VanDerWaalsContact CG2-CB 3.46Å; Y288-A333 WeakPolarHBondContact O-CA 3.32Å; L289-A333 HydrophobicContact CD2-CB 4.27Å |
| 334 | R | 77.3 | Confident | 71.4 | Confident | 152 Ų | 152 | 61.5 Ų | 61.5 | 57% | 0.574 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -74.7 | -32.9 | 172.3 | -67.5 | -175 | 178.1 | 165.8 | 2.3 | 113.6 | Y288 D290 | Y288-R334 PolarHBondContact O-N 2.83Å; D290-R334 VanDerWaalsContact CG-NE 3.34Å; D290-R334 IonicContact OD1-CZ 2.65Å; D290-R334 IonicContact OD1-NE 2.66Å; D290-R334 PolarHBondContact OD1-NE 3.07Å; D290-R334 IonicContact OD1-NH2 3.3Å; D290-R334 PolarHBondContact OD1-NH2 2.9Å; D290-R334 VanDerWaalsContact OD2-CG 3.29Å; D290-R334 WeakPolarHBondContact OD2-CG 3.43Å; D290-R334 IonicContact OD2-CZ 3.79Å; D290-R334 IonicContact OD2-NE 3.41Å; D290-R334 PolarHBondContact OD2-NE 2.91Å; D290-R334 IonicContact OD2-NH2 2.94Å; D290-R334 PolarHBondContact OD2-NH2 3.48Å |
| 335 | N | 76.3 | Confident | 73 | Confident | 98 Ų | 98 | 56 Ų | 56 | 52% | 0.524 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -134.6 | 149.9 | -169.9 | -62.6 | -22.4 | 0 | 0 | 0 | 110.9 | I287 | I287-N335 WeakPolarHBondContact CG2-O 3.46Š|
| 336 | D | 78.9 | Confident | 74.5 | Confident | 85 Ų | 85 | 50.9 Ų | 50.9 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | trans | -71 | 163.3 | 162.2 | -67.6 | -17.7 | 0 | 0 | 0 | 110.8 | V221 K222 | V221-D336 WeakPolarHBondContact O-CA 3.46Å; K222-D336 WeakPolarHBondContact CA-OD1 3.41Å; K222-D336 WeakPolarHBondContact CB-OD1 3.3Å; K222-D336 HydrophobicContact CG-CB 4.31Å; K222-D336 IonicContact NZ-OD2 3.78Å; K222-D336 PolarHBondContact NZ-OD2 3.44Å | ||
| 337 | A | 80.5 | Confident | 75.8 | Confident | 7 Ų | 7 | 45.6 Ų | 45.6 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 153.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F220 V221 P285 I287 | F220-A337 WeakPolarHBondContact CA-O 3.37Å; V221-A337 PolarHBondContact N-O 3.01Å; V221-A337 PolarHBondContact O-N 2.8Å; P285-A337 HydrophobicContact CB-CB 4.18Å; P285-A337 HydrophobicContact CG-CB 4.32Å; I287-A337 HydrophobicContact CD1-CB 3.57Å; I287-A337 HydrophobicContact CG1-CB 4.19Å |
| 338 | E | 83.1 | Confident | 76.8 | Confident | 79 Ų | 79 | 43.4 Ų | 43.4 | 37% | 0.369 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.6 | 176.2 | -175.3 | -177.8 | 156.1 | 0 | 0 | 109.4 | K218 I219 F220 | K218-E338 VanDerWaalsContact CD-OE1 3.3Å; K218-E338 WeakPolarHBondContact CD-OE1 3.42Å; K218-E338 WeakPolarHBondContact CE-OE1 3.5Å; K218-E338 IonicContact NZ-OE1 2.82Å; K218-E338 PolarHBondContact NZ-OE1 3.17Å; I219-E338 WeakPolarHBondContact O-CA 3.37Å; F220-E338 HydrophobicContact CD1-CB 4.07Å; F220-E338 HydrophobicContact CD1-CG 3.96Å; F220-E338 HydrophobicContact CE1-CB 4.12Å; F220-E338 HydrophobicContact CE1-CG 3.66Å; F220-E338 HydrophobicContact CZ-CG 4.4Å |
| 339 | L | 79.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 143.6 | 178.4 | -63.8 | 174.8 | 0 | 0 | 0 | 110.2 | K218 I219 V221 Q282 P285 V341 V349 | K218-L339 WeakPolarHBondContact CA-O 3.08Å; I219-L339 PolarHBondContact N-O 2.84Å; I219-L339 PolarHBondContact O-N 2.89Å; V221-L339 HydrophobicContact CG2-CD1 4.41Å; Q282-L339 VanDerWaalsContact OE1-CA 3.32Å; P285-L339 HydrophobicContact CG-CD2 3.74Å; L339-V341 HydrophobicContact CB-CG2 4.04Å; L339-V349 HydrophobicContact CD1-CG1 3.77Å; L339-V349 HydrophobicContact CD1-CG2 4.27Å |
| 340 | L | 78.8 | Confident | 78 | Confident | 62 Ų | 62 | 36.6 Ų | 36.6 | 33% | 0.325 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 111.7 | 175 | -84.8 | 164.7 | 0 | 0 | 0 | 107.9 | F216 K218 Q282 | F216-L340 HydrophobicContact CB-CD2 4.42Å; F216-L340 HydrophobicContact CD1-CB 4.44Å; K218-L340 HydrophobicContact CG-CD2 3.61Å; K218-L340 HydrophobicContact CG-CG 4.44Å; Q282-L340 PolarHBondContact OE1-O 2.89Å |
| 341 | V | 73.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 118.8 | -165.4 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | F216 V217 I219 L274 L339 L379 L386 | F216-V341 CarbonylContact C-O 3.47Å; F216-V341 WeakPolarHBondContact CA-O 3.47Å; V217-V341 PolarHBondContact N-O 3.15Å; V217-V341 PolarHBondContact O-N 2.72Å; I219-V341 HydrophobicContact CB-CG2 4.39Å; I219-V341 HydrophobicContact CD1-CB 3.94Å; I219-V341 HydrophobicContact CD1-CG1 4.16Å; I219-V341 HydrophobicContact CD1-CG2 3.79Å; I219-V341 HydrophobicContact CG1-CB 4.31Å; I219-V341 HydrophobicContact CG1-CG2 4.07Å; L274-V341 HydrophobicContact CD1-CB 4.49Å; L274-V341 HydrophobicContact CD1-CG1 3.91Å; L274-V341 HydrophobicContact CD1-CG2 3.95Å; L274-V341 HydrophobicContact CD2-CG1 4.25Å; L274-V341 HydrophobicContact CD2-CG2 4.48Å; L339-V341 HydrophobicContact CB-CG2 4.04Å; V341-L379 HydrophobicContact CG1-CD1 3.42Å; V341-L379 VanDerWaalsContact CG1-CD1 3.42Å; V341-L386 HydrophobicContact CG1-CD2 3.98Å |
| 342 | P | 71.6 | Confident | 78 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 144.4 | 174.4 | 29.1 | -32.8 | 0 | 0 | 0 | 109.3 | S215 F216 L274 N344 | S215-P342 CarbonylContact O-C 3.6Å; F216-P342 HydrophobicContact CD1-CB 4.1Å; F216-P342 HydrophobicContact CE1-CB 3.97Å; F216-P342 HydrophobicContact CE1-CG 4.18Å; F216-P342 HydrophobicContact CZ-CB 4.39Å; L274-P342 HydrophobicContact CD2-CG 4.28Å; P342-N344 PolarHBondContact O-N 3.06Å |
| 343 | Q | 71.5 | Confident | 77.9 | Confident | 80 Ų | 80 | 33.2 Ų | 33.2 | 37% | 0.374 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -71.9 | 62.7 | -179.8 | -74.2 | 177.6 | -43.5 | 0 | 0 | 111.8 | S215 V217 L386 | S215-Q343 WeakPolarHBondContact O-CB 3.45Å; S215-Q343 WeakPolarHBondContact O-CG 3.33Å; S215-Q343 PolarHBondContact O-N 2.84Å; S215-Q343 PolarHBondContact OG-OE1 3.3Å; V217-Q343 HydrophobicContact CG2-CG 3.59Å; Q343-L386 PolarHBondContact NE2-O 3.44Å |
| 344 | N | 71.8 | Confident | 77.8 | Confident | 36 Ų | 36 | 32.4 Ų | 32.4 | 19% | 0.193 | 16% | 0.163 | C | C | . | . | trans | -132.4 | 117.7 | 177.5 | -168.7 | -53.4 | 0 | 0 | 0 | 109.1 | G201 P342 G346 C347 | G201-N344 PolarHBondContact N-ND2 3.19Å; P342-N344 PolarHBondContact O-N 3.06Å; N344-G346 PolarHBondContact O-N 2.8Å; N344-G346 VanDerWaalsContact O-N 3.09Å; N344-G346 PolarHBondContact OD1-N 3.33Å; N344-C347 PolarHBondContact O-N 2.85Å | ||
| 345 | P | 67.1 | Low | 78.1 | Confident | 53 Ų | 53 | 25.3 Ų | 25.3 | 34% | 0.344 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -10.2 | -175.9 | 28.9 | -35.8 | 0 | 0 | 0 | 113.4 | C347 Q380 | P345-C347 PolarHBondContact O-N 3.09Å; P345-Q380 HydrophobicContact CB-CB 4.41Å; P345-Q380 WeakPolarHBondContact O-CB 3.46Å; P345-Q380 PolarHBondContact O-N 2.99Å |
| 346 | G | 71.4 | Confident | 78.4 | Confident | 7 Ų | 7 | 21 Ų | 21 | 7% | 0.072 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -14.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R277 N344 | R277-G346 WeakPolarHBondContact CD-O 3.44Å; R277-G346 VanDerWaalsContact CG-O 3.32Å; R277-G346 WeakPolarHBondContact CG-O 3.28Å; R277-G346 PolarHBondContact NE-O 3.39Å; N344-G346 PolarHBondContact O-N 2.8Å; N344-G346 VanDerWaalsContact O-N 3.09Å; N344-G346 PolarHBondContact OD1-N 3.33Å |
| 347 | C | 76.9 | Confident | 78.7 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.007 | 9% | 0.092 | C | C | . | . | trans | -82.2 | 157.1 | 178.9 | -63.9 | 0 | 0 | 0 | 0 | 113.1 | L274 N344 P345 L379 | L274-C347 HydrophobicContact CD1-CB 3.92Å; L274-C347 HydrophobicContact CD2-CB 4.12Å; L274-C347 HydrophobicContact CG-CB 4.13Å; N344-C347 PolarHBondContact O-N 2.85Å; P345-C347 PolarHBondContact O-N 3.09Å; C347-L379 HydrophobicContact CB-CD1 3.89Å; C347-L379 WeakPolarHBondContact O-CB 3.43Å; C347-L379 PolarHBondContact O-N 3.37Å; C347-L379 VanDerWaalsContact O-N 3.08Å | ||
| 348 | A | 78.2 | Confident | 78.9 | Confident | 8 Ų | 8 | 16.9 Ų | 16.9 | 7% | 0.066 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 144.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | H275 I376 Y377 | H275-A348 PolarHBondContact N-O 3.05Å; H275-A348 PolarHBondContact O-N 3.03Å; A348-I376 HydrophobicContact CB-CG2 3.96Å; A348-Y377 CarbonylContact C-O 3.58Å; A348-Y377 WeakPolarHBondContact CA-O 3.36Å |
| 349 | V | 82.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 127.7 | 170.4 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | L274 L339 F351 I376 Y377 L379 | L274-V349 HydrophobicContact CD1-CG2 4.3Å; L339-V349 HydrophobicContact CD1-CG1 3.77Å; L339-V349 HydrophobicContact CD1-CG2 4.27Å; V349-F351 HydrophobicContact CG1-CD2 4.42Å; V349-F351 HydrophobicContact CG1-CE2 3.83Å; V349-F351 HydrophobicContact CG1-CZ 4.16Å; V349-I376 WeakPolarHBondContact O-CA 3.23Å; V349-Y377 PolarHBondContact N-O 3.02Å; V349-Y377 PolarHBondContact O-N 3.37Å; V349-L379 HydrophobicContact CG2-CD2 4.21Å; V349-L379 HydrophobicContact CG2-CG 4.47Å |
| 350 | V | 81.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 136.1 | 179.8 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | T272 F273 H275 V352 I376 F453 | T272-V350 VanDerWaalsContact CA-O 3.27Å; T272-V350 WeakPolarHBondContact CA-O 3.24Å; F273-V350 HydrophobicContact CD2-CB 3.87Å; F273-V350 HydrophobicContact CD2-CG2 4.16Å; F273-V350 HydrophobicContact CE1-CB 4.45Å; F273-V350 HydrophobicContact CE1-CG1 4.32Å; F273-V350 HydrophobicContact CE2-CB 3.42Å; F273-V350 VanDerWaalsContact CE2-CB 3.42Å; F273-V350 HydrophobicContact CE2-CG1 3.68Å; F273-V350 HydrophobicContact CE2-CG2 3.71Å; F273-V350 HydrophobicContact CZ-CB 3.75Å; F273-V350 HydrophobicContact CZ-CG1 3.53Å; F273-V350 HydrophobicContact CZ-CG2 4.44Å; F273-V350 PolarHBondContact N-O 3.49Å; F273-V350 VanDerWaalsContact N-O 3.09Å; F273-V350 PolarHBondContact O-N 2.84Å; H275-V350 HydrophobicContact CB-CG2 3.52Å; V350-V352 HydrophobicContact CG1-CG2 3.84Å; V350-I376 HydrophobicContact CB-CD1 4.48Å; V350-I376 HydrophobicContact CB-CG1 4.12Å; V350-I376 HydrophobicContact CG1-CD1 3.95Å; V350-I376 HydrophobicContact CG1-CG1 3.77Å; V350-I376 HydrophobicContact CG2-CD1 3.98Å; V350-I376 HydrophobicContact CG2-CG1 3.94Å; V350-F453 HydrophobicContact CG1-CE2 3.84Å; V350-F453 HydrophobicContact CG1-CZ 4.22Å |
| 351 | F | 84.7 | Confident | 78 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 126 | 170.9 | -60.4 | -102.6 | 0 | 0 | 0 | 107.9 | V221 V270 K271 T272 V349 W374 A375 L398 L465 I469 | V221-F351 HydrophobicContact CG1-CE1 3.93Å; V221-F351 HydrophobicContact CG1-CZ 4.1Å; V270-F351 HydrophobicContact CG1-CB 3.98Å; V270-F351 HydrophobicContact CG1-CD1 4.09Å; K271-F351 CarbonylContact O-C 3.44Å; K271-F351 WeakPolarHBondContact O-CA 3.39Å; T272-F351 HydrophobicContact CG2-CD1 3.4Å; T272-F351 HydrophobicContact CG2-CE1 3.75Å; T272-F351 HydrophobicContact CG2-CG 4.13Å; V349-F351 HydrophobicContact CG1-CD2 4.42Å; V349-F351 HydrophobicContact CG1-CE2 3.83Å; V349-F351 HydrophobicContact CG1-CZ 4.16Å; F351-W374 CarbonylContact O-C 3.57Å; F351-W374 WeakPolarHBondContact O-CA 3.11Å; F351-W374 WeakPolarHBondContact O-CB 3.47Å; F351-A375 HydrophobicContact CB-CB 4.35Å; F351-A375 PolarHBondContact N-O 3.05Å; F351-A375 PolarHBondContact O-N 3.27Å; F351-L398 HydrophobicContact CD2-CD1 4.07Å; F351-L398 HydrophobicContact CE2-CD1 3.94Å; F351-L465 HydrophobicContact CB-CD1 3.99Å; F351-L465 HydrophobicContact CD1-CD1 3.66Å; F351-L465 HydrophobicContact CD1-CD2 3.86Å; F351-L465 HydrophobicContact CD1-CG 4.46Å; F351-L465 HydrophobicContact CE1-CD1 4.43Å; F351-L465 HydrophobicContact CE1-CD2 3.9Å; F351-L465 HydrophobicContact CG-CD1 4.03Å; F351-L465 HydrophobicContact CG-CD2 4.27Å; F351-L465 HydrophobicContact CZ-CD2 4.34Å; F351-I469 HydrophobicContact CZ-CD1 4.29Å |
| 352 | V | 81.9 | Confident | 77.4 | Confident | 5 Ų | 5 | 24.3 Ų | 24.3 | 3% | 0.03 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 116.8 | 177.3 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | V270 K271 F273 V350 E354 T371 W374 F453 | V270-V352 CarbonylContact C-O 3.54Å; V270-V352 WeakPolarHBondContact CA-O 3.28Å; K271-V352 HydrophobicContact CB-CB 4.32Å; K271-V352 PolarHBondContact N-O 3.41Å; K271-V352 PolarHBondContact O-N 2.9Å; F273-V352 HydrophobicContact CE1-CB 4.47Å; F273-V352 HydrophobicContact CE1-CG2 3.63Å; F273-V352 HydrophobicContact CZ-CG2 3.67Å; V350-V352 HydrophobicContact CG1-CG2 3.84Å; V352-E354 PolarHBondContact O-N 3.24Å; V352-T371 HydrophobicContact CG1-CG2 3.51Å; V352-W374 HydrophobicContact CG2-CB 4.21Å; V352-F453 HydrophobicContact CG2-CD1 4.39Å; V352-F453 HydrophobicContact CG2-CE1 4.38Å |
| 353 | L | 84.5 | Confident | 76.7 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 113.2 | 174.7 | 178 | 60.4 | 0 | 0 | 0 | 109.4 | I226 L289 Y355 V372 R373 L400 L463 | I226-L353 HydrophobicContact CD1-CD1 3.82Å; I226-L353 HydrophobicContact CD1-CD2 4.17Å; I226-L353 HydrophobicContact CD1-CG 4.47Å; L289-L353 HydrophobicContact CD1-CD1 3.75Å; L353-Y355 HydrophobicContact CD1-CD2 4.44Å; L353-Y355 HydrophobicContact CD1-CE2 4.01Å; L353-Y355 HydrophobicContact CD2-CE2 4.11Å; L353-Y355 HydrophobicContact CG-CD2 4.32Å; L353-Y355 HydrophobicContact CG-CE2 4Å; L353-V372 PolarHBondContact O-N 2.66Å; L353-R373 HydrophobicContact CB-CB 4.4Å; L353-R373 PolarHBondContact N-O 2.97Å; L353-L400 HydrophobicContact CD2-CD1 4.25Å; L353-L463 HydrophobicContact CD2-CD1 3.74Å |
| 354 | E | 83.2 | Confident | 76.1 | Confident | 7 Ų | 7 | 30.9 Ų | 30.9 | 3% | 0.033 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135.5 | -178.9 | -169.7 | -168.2 | 165.5 | 0 | 0 | 110.2 | R269 K271 V352 H369 C370 | R269-E354 HydrophobicContact CG-CB 3.96Å; R269-E354 IonicContact CZ-OE1 2.71Å; R269-E354 IonicContact CZ-OE2 2.75Å; R269-E354 VanDerWaalsContact CZ-OE2 3.3Å; R269-E354 PolarHBondContact N-O 2.65Å; R269-E354 IonicContact NE-OE1 3.17Å; R269-E354 IonicContact NE-OE2 2.97Å; R269-E354 PolarHBondContact NE-OE2 2.94Å; R269-E354 IonicContact NH2-OE1 3.67Å; R269-E354 PolarHBondContact NH2-OE1 3.23Å; R269-E354 IonicContact NH2-OE2 2.66Å; R269-E354 PolarHBondContact NH2-OE2 2.79Å; R269-E354 PolarHBondContact O-N 3.13Å; K271-E354 WeakPolarHBondContact CD-OE2 3.45Å; K271-E354 WeakPolarHBondContact CE-OE2 3.26Å; K271-E354 IonicContact NZ-OE2 3.29Å; V352-E354 PolarHBondContact O-N 3.24Å; E354-H369 IonicContact OE1-CE1 2.63Å; E354-H369 IonicContact OE1-CG 3.21Å; E354-H369 IonicContact OE1-ND1 3.71Å; E354-H369 PolarHBondContact OE1-ND1 2.87Å; E354-C370 WeakPolarHBondContact CA-O 3.41Å |
| 355 | Y | 83.3 | Confident | 75.6 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.8 | 172.1 | -85.2 | -104.3 | 0 | 0 | 0 | 108.5 | F236 E237 L240 V265 R268 L353 C370 V372 | F236-Y355 HydrophobicContact CE1-CE2 4.2Å; E237-Y355 HydrophobicContact CG-CE1 3.6Å; E237-Y355 WeakPolarHBondContact OE1-CE1 3.33Å; E237-Y355 PolarHBondContact OE1-OH 2.73Å; L240-Y355 HydrophobicContact CD2-CD1 4.17Å; L240-Y355 HydrophobicContact CD2-CD2 4.3Å; L240-Y355 HydrophobicContact CD2-CG 3.85Å; V265-Y355 HydrophobicContact CB-CD1 4.34Å; V265-Y355 HydrophobicContact CG1-CD1 3.61Å; V265-Y355 HydrophobicContact CG1-CE1 3.91Å; V265-Y355 HydrophobicContact CG2-CD1 3.74Å; V265-Y355 HydrophobicContact CG2-CE1 4.01Å; R268-Y355 HydrophobicContact CG-CD1 4.11Å; R268-Y355 HydrophobicContact CG-CE1 3.67Å; L353-Y355 HydrophobicContact CD1-CD2 4.44Å; L353-Y355 HydrophobicContact CD1-CE2 4.01Å; L353-Y355 HydrophobicContact CD2-CE2 4.11Å; L353-Y355 HydrophobicContact CG-CD2 4.32Å; L353-Y355 HydrophobicContact CG-CE2 4Å; Y355-C370 PolarHBondContact N-O 3.11Å; Y355-C370 WeakPolarHBondContact O-CB 3.29Å; Y355-C370 PolarHBondContact O-N 3.31Å; Y355-V372 HydrophobicContact CD2-CB 4.47Å; Y355-V372 HydrophobicContact CD2-CG2 3.57Å; Y355-V372 HydrophobicContact CE2-CG2 4.35Å; Y355-V372 HydrophobicContact CG-CG2 4.22Å |
| 356 | I | 83.7 | Confident | 75.8 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 5% | 0.046 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 121.9 | 164.2 | -47.9 | -176 | 0 | 0 | 0 | 107.5 | Y266 E267 T367 F368 | Y266-I356 WeakPolarHBondContact CB-O 3.27Å; Y266-I356 PolarHBondContact N-O 2.83Å; E267-I356 HydrophobicContact CB-CB 3.95Å; E267-I356 HydrophobicContact CB-CD1 3.86Å; E267-I356 HydrophobicContact CB-CG1 3.92Å; E267-I356 HydrophobicContact CG-CD1 4.18Å; E267-I356 HydrophobicContact CG-CG1 4.45Å; E267-I356 PolarHBondContact N-O 2.75Å; E267-I356 PolarHBondContact O-N 2.83Å; E267-I356 WeakPolarHBondContact OE1-CD1 2.89Å; I356-T367 HydrophobicContact CG2-CG2 3.9Å; I356-F368 WeakPolarHBondContact CA-O 3.46Å |
| 357 | L | 85.3 | Confident | 76 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 139.9 | 171.5 | -50.2 | -176.1 | 0 | 0 | 0 | 109.5 | L240 V244 L263 Q264 V265 T367 F368 | L240-L357 HydrophobicContact CD2-CD2 4.39Å; L240-L357 HydrophobicContact CG-CD1 4.41Å; V244-L357 HydrophobicContact CB-CD1 3.97Å; V244-L357 HydrophobicContact CG1-CD1 4.18Å; V244-L357 HydrophobicContact CG2-CD1 4.06Å; L263-L357 HydrophobicContact CB-CB 4.28Å; L263-L357 HydrophobicContact CB-CD1 4.46Å; L263-L357 HydrophobicContact CD1-CB 4.16Å; L263-L357 HydrophobicContact CD1-CD1 3.79Å; Q264-L357 CarbonylContact O-C 3.58Å; Q264-L357 VanDerWaalsContact O-CA 3.31Å; Q264-L357 WeakPolarHBondContact O-CA 3.05Å; V265-L357 HydrophobicContact CB-CD2 4.46Å; V265-L357 HydrophobicContact CG2-CD2 3.86Å; L357-T367 CarbonylContact O-C 3.46Å; L357-T367 WeakPolarHBondContact O-CA 3.13Å; L357-F368 HydrophobicContact CB-CB 4.37Å; L357-F368 PolarHBondContact N-O 3.1Å; L357-F368 PolarHBondContact O-N 3.43Å |
| 358 | S | 84 | Confident | 75.8 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.028 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 144.3 | 173.9 | 60.9 | 0 | 0 | 0 | 0 | 111.1 | L263 Q264 I360 | L263-S358 WeakPolarHBondContact CA-O 3.43Å; Q264-S358 VanDerWaalsContact CG-OG 3.24Å; Q264-S358 WeakPolarHBondContact CG-OG 3.1Å; Q264-S358 PolarHBondContact N-O 3.5Å; Q264-S358 PolarHBondContact NE2-OG 3.25Å; Q264-S358 PolarHBondContact O-N 2.82Å; S358-I360 PolarHBondContact O-N 2.87Å |
| 359 | E | 82.6 | Confident | 75.7 | Confident | 44 Ų | 44 | 46.2 Ų | 46.2 | 21% | 0.206 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 124.4 | 170.7 | -174.2 | 173.8 | -141.1 | 0 | 0 | 111.5 | V261 S362 K366 | V261-E359 HydrophobicContact CG1-CG 4.12Å; E359-S362 WeakPolarHBondContact OE2-CB 3.41Å; E359-S362 PolarHBondContact OE2-OG 2.89Å; E359-K366 PolarHBondContact N-O 2.85Å |
| 360 | I | 73.8 | Confident | 75.1 | Confident | 61 Ų | 61 | 46.9 Ų | 46.9 | 31% | 0.313 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 134.4 | 178.4 | -55.1 | 174.5 | 0 | 0 | 0 | 109.5 | R262 Q264 S358 S362 | R262-I360 HydrophobicContact CB-CD1 4.08Å; R262-I360 WeakPolarHBondContact O-CG1 3.41Å; R262-I360 PolarHBondContact O-N 2.69Å; Q264-I360 HydrophobicContact CB-CD1 3.9Å; Q264-I360 HydrophobicContact CB-CG1 3.79Å; Q264-I360 HydrophobicContact CG-CD1 4.43Å; Q264-I360 HydrophobicContact CG-CG1 3.78Å; S358-I360 PolarHBondContact O-N 2.87Å; I360-S362 VanDerWaalsContact C-N 3.27Å; I360-S362 PolarHBondContact O-N 2.82Å |
| 361 | N | 65.6 | Low | 74.4 | Confident | 162 Ų | 162 | 49.7 Ų | 49.7 | 87% | 0.866 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 10.6 | 179.1 | -54 | -31.8 | 0 | 0 | 0 | 116.7 | ||
| 362 | S | 60.2 | Low | 73.5 | Confident | 30 Ų | 30 | 50 Ų | 50 | 21% | 0.21 | 28% | 0.275 | C | S | . | . | trans | -82 | 133.3 | 172.4 | -173 | 0 | 0 | 0 | 0 | 111.3 | E359 I360 T364 | E359-S362 WeakPolarHBondContact OE2-CB 3.41Å; E359-S362 PolarHBondContact OE2-OG 2.89Å; I360-S362 VanDerWaalsContact C-N 3.27Å; I360-S362 PolarHBondContact O-N 2.82Å; S362-T364 VanDerWaalsContact C-N 3.25Å; S362-T364 PolarHBondContact O-N 2.97Å | ||
| 363 | P | 56.5 | Low | 73.2 | Confident | 122 Ų | 122 | 50.5 Ų | 50.5 | 79% | 0.792 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -71 | -22.1 | 179.8 | 29.3 | -34.9 | 0 | 0 | 0 | 112.8 | ||
| 364 | T | 58.7 | Low | 72.9 | Confident | 96 Ų | 96 | 51.7 Ų | 51.7 | 59% | 0.589 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -126.9 | 73.4 | 173.6 | 41.4 | 0 | 0 | 0 | 0 | 108.4 | S362 K366 | S362-T364 VanDerWaalsContact C-N 3.25Å; S362-T364 PolarHBondContact O-N 2.97Å; T364-K366 PolarHBondContact O-N 2.87Å; T364-K366 VanDerWaalsContact O-N 3.08Å |
| 365 | P | 61.9 | Low | 72.7 | Confident | 64 Ų | 64 | 51.4 Ų | 51.4 | 42% | 0.416 | 28% | 0.279 | S | S | . | . | trans | -63.2 | 114.6 | -166.2 | 25.5 | -34.8 | 0 | 0 | 0 | 111.5 | T367 | P365-T367 PolarHBondContact O-N 2.99Š| ||
| 366 | K | 71 | Confident | 72.5 | Confident | 138 Ų | 138 | 52.6 Ų | 52.6 | 60% | 0.6 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 130 | 173.7 | -67.1 | 174.5 | -175.8 | 168.5 | 0 | 109.4 | E359 T364 F368 | E359-K366 PolarHBondContact N-O 2.85Å; T364-K366 PolarHBondContact O-N 2.87Å; T364-K366 VanDerWaalsContact O-N 3.08Å; K366-F368 HydrophobicContact CB-CE2 3.85Å; K366-F368 HydrophobicContact CB-CZ 3.92Å; K366-F368 WeakPolarHBondContact O-CE2 3.49Å |
| 367 | T | 75.9 | Confident | 72.5 | Confident | 67 Ų | 67 | 52.7 Ų | 52.7 | 41% | 0.411 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 119.2 | 178.5 | 47.4 | 0 | 0 | 0 | 0 | 110.5 | I356 L357 P365 | I356-T367 HydrophobicContact CG2-CG2 3.9Å; L357-T367 CarbonylContact O-C 3.46Å; L357-T367 WeakPolarHBondContact O-CA 3.13Å; P365-T367 PolarHBondContact O-N 2.99Å |
| 368 | F | 73.4 | Confident | 72.2 | Confident | 52 Ų | 52 | 54.6 Ų | 54.6 | 23% | 0.228 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.9 | 179.3 | -56.9 | -90.6 | 0 | 0 | 0 | 109.6 | L248 L263 I356 L357 K366 | L248-F368 HydrophobicContact CD1-CD1 4.14Å; L248-F368 HydrophobicContact CD1-CE1 3.72Å; L248-F368 HydrophobicContact CD1-CE2 4.18Å; L248-F368 HydrophobicContact CD1-CZ 3.73Å; L248-F368 HydrophobicContact CD2-CD1 4.31Å; L248-F368 HydrophobicContact CD2-CE1 3.74Å; L248-F368 HydrophobicContact CD2-CZ 4.39Å; L248-F368 HydrophobicContact CG-CE1 4.39Å; L263-F368 HydrophobicContact CD1-CD2 4.46Å; L263-F368 HydrophobicContact CD2-CD2 3.69Å; L263-F368 HydrophobicContact CD2-CE2 3.66Å; I356-F368 WeakPolarHBondContact CA-O 3.46Å; L357-F368 HydrophobicContact CB-CB 4.37Å; L357-F368 PolarHBondContact N-O 3.1Å; L357-F368 PolarHBondContact O-N 3.43Å; K366-F368 HydrophobicContact CB-CE2 3.85Å; K366-F368 HydrophobicContact CB-CZ 3.92Å; K366-F368 WeakPolarHBondContact O-CE2 3.49Å |
| 369 | H | 76.3 | Confident | 71.8 | Confident | 106 Ų | 106 | 54.4 Ų | 54.4 | 49% | 0.491 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 102.6 | -174.8 | -73.2 | -90.3 | 0 | 0 | 0 | 110.9 | E354 | E354-H369 IonicContact OE1-CE1 2.63Å; E354-H369 IonicContact OE1-CG 3.21Å; E354-H369 IonicContact OE1-ND1 3.71Å; E354-H369 PolarHBondContact OE1-ND1 2.87Å |
| 370 | C | 69.3 | Low | 71.4 | Confident | 14 Ų | 14 | 57.2 Ų | 57.2 | 10% | 0.095 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 102.7 | -177 | -62.6 | 0 | 0 | 0 | 0 | 110.4 | E354 Y355 V372 | E354-C370 WeakPolarHBondContact CA-O 3.41Å; Y355-C370 PolarHBondContact N-O 3.11Å; Y355-C370 WeakPolarHBondContact O-CB 3.29Å; Y355-C370 PolarHBondContact O-N 3.31Å; C370-V372 WeakPolarHBondContact O-CG2 3.29Å; C370-V372 PolarHBondContact O-N 3.38Å |
| 371 | T | 66 | Low | 71.2 | Confident | 60 Ų | 60 | 59.2 Ų | 59.2 | 37% | 0.368 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 118.3 | 165.8 | -66.9 | 0 | 0 | 0 | 0 | 108.9 | V352 | V352-T371 HydrophobicContact CG1-CG2 3.51Å |
| 372 | V | 67.5 | Low | 71.4 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -44.2 | -169.3 | -174.4 | 0 | 0 | 0 | 0 | 112.4 | F236 L240 L353 Y355 C370 | F236-V372 HydrophobicContact CE1-CG1 3.9Å; F236-V372 HydrophobicContact CE2-CG1 4.24Å; F236-V372 HydrophobicContact CZ-CG1 3.34Å; F236-V372 HydrophobicContact CZ-CG2 4.5Å; L240-V372 HydrophobicContact CD1-CG2 4.49Å; L240-V372 HydrophobicContact CD2-CG2 3.86Å; L353-V372 PolarHBondContact O-N 2.66Å; Y355-V372 HydrophobicContact CD2-CB 4.47Å; Y355-V372 HydrophobicContact CD2-CG2 3.57Å; Y355-V372 HydrophobicContact CE2-CG2 4.35Å; Y355-V372 HydrophobicContact CG-CG2 4.22Å; C370-V372 WeakPolarHBondContact O-CG2 3.29Å; C370-V372 PolarHBondContact O-N 3.38Å |
| 373 | R | 75.5 | Confident | 71.6 | Confident | 14 Ų | 14 | 57 Ų | 57 | 5% | 0.053 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 163.3 | -177.7 | -65.1 | -61.7 | -179.9 | -117.3 | 16.3 | 111.1 | L353 L400 Q401 G402 V457 S459 L463 | L353-R373 HydrophobicContact CB-CB 4.4Å; L353-R373 PolarHBondContact N-O 2.97Å; R373-L400 HydrophobicContact CB-CB 3.76Å; R373-L400 HydrophobicContact CB-CD2 4.23Å; R373-L400 WeakPolarHBondContact CD-O 3.4Å; R373-L400 HydrophobicContact CG-CB 4.13Å; R373-Q401 WeakPolarHBondContact CA-O 3.49Å; R373-Q401 VanDerWaalsContact CD-C 3.41Å; R373-Q401 WeakPolarHBondContact CD-O 3.33Å; R373-G402 VanDerWaalsContact CD-CA 3.48Å; R373-V457 PolarHBondContact NH1-O 2.86Å; R373-S459 PolarHBondContact NH2-O 3.12Å; R373-L463 HydrophobicContact CG-CD1 4.45Å |
| 374 | W | 77.5 | Confident | 72 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 155.1 | 168.7 | 51.6 | -95.9 | 0 | 0 | 0 | 111.1 | F351 V352 I376 L400 Q401 F453 | F351-W374 CarbonylContact O-C 3.57Å; F351-W374 WeakPolarHBondContact O-CA 3.11Å; F351-W374 WeakPolarHBondContact O-CB 3.47Å; V352-W374 HydrophobicContact CG2-CB 4.21Å; W374-I376 HydrophobicContact CE3-CD1 3.67Å; W374-I376 HydrophobicContact CE3-CG1 3.85Å; W374-I376 HydrophobicContact CZ3-CD1 3.91Å; W374-I376 HydrophobicContact CZ3-CG1 4.24Å; W374-L400 CarbonylContact O-C 3.55Å; W374-Q401 HydrophobicContact CD2-CB 4.48Å; W374-Q401 HydrophobicContact CE3-CB 4.3Å; W374-Q401 HydrophobicContact CH2-CB 3.95Å; W374-Q401 HydrophobicContact CH2-CG 4.47Å; W374-Q401 VanDerWaalsContact CH2-OE1 3.27Å; W374-Q401 HydrophobicContact CZ2-CB 4.13Å; W374-Q401 HydrophobicContact CZ3-CB 4.05Å; W374-Q401 HydrophobicContact CZ3-CG 4.34Å; W374-Q401 PolarHBondContact N-O 3.17Å; W374-Q401 PolarHBondContact O-N 2.97Å; W374-F453 VanDerWaalsContact CD1-CB 3.46Å; W374-F453 HydrophobicContact CG-CB 4.16Å; W374-F453 HydrophobicContact CG-CD2 4.33Å |
| 375 | A | 79.6 | Confident | 72.5 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 144.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | F351 L398 L400 | F351-A375 HydrophobicContact CB-CB 4.35Å; F351-A375 PolarHBondContact N-O 3.05Å; F351-A375 PolarHBondContact O-N 3.27Å; A375-L398 HydrophobicContact CB-CB 3.81Å; A375-L398 HydrophobicContact CB-CD1 4.16Å; A375-L400 HydrophobicContact CB-CD2 3.7Å; A375-L400 HydrophobicContact CB-CG 4.28Å |
| 376 | I | 78.7 | Confident | 72.7 | Confident | 28 Ų | 28 | 45.6 Ų | 45.6 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 138.2 | -171.3 | -73.4 | 177.4 | 0 | 0 | 0 | 110.1 | A348 V349 V350 W374 D448 G449 | A348-I376 HydrophobicContact CB-CG2 3.96Å; V349-I376 WeakPolarHBondContact O-CA 3.23Å; V350-I376 HydrophobicContact CB-CD1 4.48Å; V350-I376 HydrophobicContact CB-CG1 4.12Å; V350-I376 HydrophobicContact CG1-CD1 3.95Å; V350-I376 HydrophobicContact CG1-CG1 3.77Å; V350-I376 HydrophobicContact CG2-CD1 3.98Å; V350-I376 HydrophobicContact CG2-CG1 3.94Å; W374-I376 HydrophobicContact CE3-CD1 3.67Å; W374-I376 HydrophobicContact CE3-CG1 3.85Å; W374-I376 HydrophobicContact CZ3-CD1 3.91Å; W374-I376 HydrophobicContact CZ3-CG1 4.24Å; I376-D448 WeakPolarHBondContact CD1-O 3.5Å; I376-G449 VanDerWaalsContact CD1-CA 3.47Å |
| 377 | Y | 82.6 | Confident | 72.4 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 4% | 0.043 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 100.8 | -178.4 | -179.6 | -117.1 | 0 | 0 | 0 | 109.7 | A348 V349 L379 N382 I385 L396 I469 | A348-Y377 CarbonylContact C-O 3.58Å; A348-Y377 WeakPolarHBondContact CA-O 3.36Å; V349-Y377 PolarHBondContact N-O 3.02Å; V349-Y377 PolarHBondContact O-N 3.37Å; Y377-L379 HydrophobicContact CE1-CD2 4.46Å; Y377-L379 PolarHBondContact O-N 3.38Å; Y377-N382 WeakPolarHBondContact OH-CB 3.35Å; Y377-N382 PolarHBondContact OH-ND2 2.7Å; Y377-N382 VanDerWaalsContact OH-ND2 3.14Å; Y377-I385 HydrophobicContact CE1-CD1 4.34Å; Y377-I385 WeakPolarHBondContact OH-CD1 3.39Å; Y377-L396 HydrophobicContact CD1-CD1 3.81Å; Y377-L396 HydrophobicContact CD2-CD1 3.65Å; Y377-L396 HydrophobicContact CD2-CD2 3.82Å; Y377-L396 HydrophobicContact CD2-CG 4.41Å; Y377-L396 HydrophobicContact CE1-CD1 4.01Å; Y377-L396 HydrophobicContact CE1-CD2 4.48Å; Y377-L396 HydrophobicContact CE2-CD1 3.88Å; Y377-L396 HydrophobicContact CE2-CD2 3.33Å; Y377-L396 HydrophobicContact CE2-CG 4.27Å; Y377-L396 HydrophobicContact CG-CD1 3.59Å; Y377-I469 HydrophobicContact CD1-CD1 3.88Å; Y377-I469 HydrophobicContact CE1-CD1 4.09Å |
| 378 | P | 80.1 | Confident | 71.4 | Confident | 39 Ų | 39 | 45.7 Ų | 45.7 | 25% | 0.253 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 126.6 | 173.4 | -18.6 | 31.5 | 0 | 0 | 0 | 110.8 | Q380 D381 | P378-Q380 PolarHBondContact O-N 2.86Å; P378-D381 WeakPolarHBondContact CD-OD2 3.22Å; P378-D381 WeakPolarHBondContact O-CB 3.46Å; P378-D381 PolarHBondContact O-N 2.87Å; P378-D381 VanDerWaalsContact O-N 3.13Å |
| 379 | L | 75.5 | Confident | 70.4 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -69.9 | -18.6 | 177.3 | -67.1 | 160.9 | 0 | 0 | 0 | 112.1 | I219 L274 V341 C347 V349 Y377 D381 N382 I383 L386 | I219-L379 HydrophobicContact CD1-CD2 4.08Å; L274-L379 HydrophobicContact CD1-CD1 3.81Å; V341-L379 HydrophobicContact CG1-CD1 3.42Å; V341-L379 VanDerWaalsContact CG1-CD1 3.42Å; C347-L379 HydrophobicContact CB-CD1 3.89Å; C347-L379 WeakPolarHBondContact O-CB 3.43Å; C347-L379 PolarHBondContact O-N 3.37Å; C347-L379 VanDerWaalsContact O-N 3.08Å; V349-L379 HydrophobicContact CG2-CD2 4.21Å; V349-L379 HydrophobicContact CG2-CG 4.47Å; Y377-L379 HydrophobicContact CE1-CD2 4.46Å; Y377-L379 PolarHBondContact O-N 3.38Å; L379-D381 PolarHBondContact O-N 2.89Å; L379-N382 CarbonylContact O-C 3.51Å; L379-N382 PolarHBondContact O-N 3.17Å; L379-I383 PolarHBondContact O-N 3.43Å; L379-L386 HydrophobicContact CB-CD1 4.37Å |
| 380 | Q | 73.7 | Confident | 69.1 | Low | 103 Ų | 103 | 43.8 Ų | 43.8 | 48% | 0.481 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -56.3 | -27.7 | 169.7 | -166.2 | 165.8 | -12.8 | 0 | 0 | 113.1 | P345 P378 N382 | P345-Q380 HydrophobicContact CB-CB 4.41Å; P345-Q380 WeakPolarHBondContact O-CB 3.46Å; P345-Q380 PolarHBondContact O-N 2.99Å; P378-Q380 PolarHBondContact O-N 2.86Å; Q380-N382 VanDerWaalsContact C-N 3.31Å; Q380-N382 PolarHBondContact O-N 3.26Å |
| 381 | D | 70.2 | Confident | 68.4 | Low | 103 Ų | 103 | 48.9 Ų | 48.9 | 55% | 0.551 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -77.6 | -16.9 | -176.8 | -60.3 | -13.9 | 0 | 0 | 0 | 112.7 | P378 L379 | P378-D381 WeakPolarHBondContact CD-OD2 3.22Å; P378-D381 WeakPolarHBondContact O-CB 3.46Å; P378-D381 PolarHBondContact O-N 2.87Å; P378-D381 VanDerWaalsContact O-N 3.13Å; L379-D381 PolarHBondContact O-N 2.89Å |
| 382 | N | 68.8 | Low | 68.4 | Low | 66 Ų | 66 | 48.9 Ų | 48.9 | 35% | 0.353 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -146.2 | 63.3 | 178.6 | -89.1 | -76.1 | 0 | 0 | 0 | 111.8 | Y377 L379 Q380 G384 I385 | Y377-N382 WeakPolarHBondContact OH-CB 3.35Å; Y377-N382 PolarHBondContact OH-ND2 2.7Å; Y377-N382 VanDerWaalsContact OH-ND2 3.14Å; L379-N382 CarbonylContact O-C 3.51Å; L379-N382 PolarHBondContact O-N 3.17Å; Q380-N382 VanDerWaalsContact C-N 3.31Å; Q380-N382 PolarHBondContact O-N 3.26Å; N382-G384 PolarHBondContact O-N 3.46Å; N382-I385 HydrophobicContact CB-CD1 3.76Å; N382-I385 HydrophobicContact CB-CG1 4.1Å; N382-I385 WeakPolarHBondContact O-CB 3.47Å; N382-I385 PolarHBondContact O-N 3.36Å |
| 383 | I | 65.6 | Low | 68.7 | Low | 80 Ų | 80 | 52.1 Ų | 52.1 | 41% | 0.41 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -28.4 | 177.4 | -56.7 | 175.1 | 0 | 0 | 0 | 112.4 | L379 I385 L386 N387 | L379-I383 PolarHBondContact O-N 3.43Å; I383-I385 PolarHBondContact O-N 3Å; I383-I385 VanDerWaalsContact O-N 3.14Å; I383-L386 PolarHBondContact O-N 3.34Å; I383-N387 PolarHBondContact O-N 2.97Å |
| 384 | G | 65 | Low | 69 | Low | 35 Ų | 35 | 53.1 Ų | 53.1 | 36% | 0.361 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.6 | -17 | 175 | 0 | 0 | 0 | 0 | 0 | 115.8 | N382 N392 | N382-G384 PolarHBondContact O-N 3.46Å; G384-N392 PolarHBondContact O-ND2 3Å |
| 385 | I | 68.8 | Low | 69.3 | Low | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.015 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -75.2 | -35.1 | 172 | -62 | 173.7 | 0 | 0 | 0 | 110.8 | I219 Y377 N382 I383 V394 I469 A471 | I219-I385 HydrophobicContact CD1-CG2 4.02Å; Y377-I385 HydrophobicContact CE1-CD1 4.34Å; Y377-I385 WeakPolarHBondContact OH-CD1 3.39Å; N382-I385 HydrophobicContact CB-CD1 3.76Å; N382-I385 HydrophobicContact CB-CG1 4.1Å; N382-I385 WeakPolarHBondContact O-CB 3.47Å; N382-I385 PolarHBondContact O-N 3.36Å; I383-I385 PolarHBondContact O-N 3Å; I383-I385 VanDerWaalsContact O-N 3.14Å; I385-V394 HydrophobicContact CD1-CB 4.34Å; I385-V394 HydrophobicContact CD1-CG2 3.87Å; I385-V394 HydrophobicContact CG1-CG2 4.27Å; I385-I469 HydrophobicContact CD1-CG2 4.35Å; I385-A471 HydrophobicContact CG2-CB 3.75Å; I385-A471 VanDerWaalsContact O-CB 3.29Å; I385-A471 WeakPolarHBondContact O-CB 3.4Å |
| 386 | L | 65.4 | Low | 69.5 | Low | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -77.4 | -27.7 | -179.2 | -63.9 | 176.7 | 0 | 0 | 0 | 112.9 | I219 V341 Q343 L379 I383 | I219-L386 HydrophobicContact CD1-CD2 4.41Å; V341-L386 HydrophobicContact CG1-CD2 3.98Å; Q343-L386 PolarHBondContact NE2-O 3.44Å; L379-L386 HydrophobicContact CB-CD1 4.37Å; I383-L386 PolarHBondContact O-N 3.34Å |
| 387 | N | 64.6 | Low | 69.8 | Low | 107 Ų | 107 | 62.4 Ų | 62.4 | 57% | 0.572 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -99.3 | -23.5 | -168.2 | -66.9 | 2.9 | 0 | 0 | 0 | 114.8 | I383 | I383-N387 PolarHBondContact O-N 2.97Å |
| 388 | N | 54.9 | Low | 69.8 | Low | 99 Ų | 99 | 63 Ų | 63 | 53% | 0.529 | 37% | 0.371 | S | S | . | . | trans | -122.4 | 105.5 | -175.3 | -79.4 | -8.6 | 0 | 0 | 0 | 111.9 | G390 | N388-G390 PolarHBondContact O-N 2.86Š| ||
| 389 | A | 52 | Low | 69.8 | Low | 73 Ų | 73 | 65.1 Ų | 65.1 | 60% | 0.603 | 38% | 0.384 | S | S | * | . | trans | -73.8 | 23.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | G472 | A389-G472 WeakPolarHBondContact O-CA 3.47Š| ||
| 390 | G | 49.4 | Very low | 69.8 | Low | 45 Ų | 45 | 65.4 Ų | 65.4 | 46% | 0.464 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -140.9 | 114.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N388 N392 | N388-G390 PolarHBondContact O-N 2.86Å; G390-N392 PolarHBondContact O-N 3.08Å |
| 391 | N | 55.6 | Low | 69.5 | Low | 122 Ų | 122 | 65.1 Ų | 65.1 | 65% | 0.652 | 39% | 0.385 | S | S | * | . | S | Bend | trans | 60.5 | 4.5 | 167.9 | -67.7 | -38.9 | 0 | 0 | 0 | 118.7 | S393 K475 | N391-S393 PolarHBondContact O-N 3.45Å; N391-K475 WeakPolarHBondContact OD1-CE 3.35Å; N391-K475 PolarHBondContact OD1-NZ 3.26Å |
| 392 | N | 64.2 | Low | 68.9 | Low | 60 Ų | 60 | 61.1 Ų | 61.1 | 32% | 0.321 | 37% | 0.368 | S | S | . | . | trans | -74.9 | 106.5 | 170.7 | -81.1 | -9.6 | 0 | 0 | 0 | 110.7 | G384 G390 S470 A471 | G384-N392 PolarHBondContact O-ND2 3Å; G390-N392 PolarHBondContact O-N 3.08Å; N392-S470 WeakPolarHBondContact O-CA 3.44Å; N392-A471 PolarHBondContact O-N 2.91Å | ||
| 393 | S | 75 | Confident | 68 | Low | 75 Ų | 75 | 61.3 Ų | 61.3 | 52% | 0.524 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.6 | 170.5 | 58.5 | 0 | 0 | 0 | 0 | 110.8 | N391 I469 | N391-S393 PolarHBondContact O-N 3.45Å; S393-I469 CarbonylContact C-O 3.57Å; S393-I469 VanDerWaalsContact CA-O 3.29Å; S393-I469 WeakPolarHBondContact CA-O 3.03Å |
| 394 | V | 81.8 | Confident | 66.9 | Low | 35 Ų | 35 | 63.1 Ų | 63.1 | 21% | 0.212 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.1 | -179.2 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | I385 L396 I469 | I385-V394 HydrophobicContact CD1-CB 4.34Å; I385-V394 HydrophobicContact CD1-CG2 3.87Å; I385-V394 HydrophobicContact CG1-CG2 4.27Å; V394-L396 HydrophobicContact CG1-CD2 3.71Å; V394-I469 PolarHBondContact N-O 2.94Å; V394-I469 PolarHBondContact O-N 3.49Å |
| 395 | N | 83.6 | Confident | 65.5 | Low | 126 Ų | 126 | 71.3 Ų | 71.3 | 67% | 0.674 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 121.1 | 171.3 | -64.8 | 0.5 | 0 | 0 | 0 | 108.7 | C467 T468 | N395-C467 CarbonylContact C-O 3.51Å; N395-C467 WeakPolarHBondContact CA-O 3.35Å; N395-T468 WeakPolarHBondContact OD1-CG2 3.26Å; N395-T468 PolarHBondContact OD1-OG1 2.7Å |
| 396 | L | 83.6 | Confident | 63.7 | Low | 17 Ų | 17 | 76 Ų | 76 | 9% | 0.089 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 139.2 | 177 | -57.1 | -176.1 | 0 | 0 | 0 | 110.6 | Y377 V394 L398 N466 C467 I469 | Y377-L396 HydrophobicContact CD1-CD1 3.81Å; Y377-L396 HydrophobicContact CD2-CD1 3.65Å; Y377-L396 HydrophobicContact CD2-CD2 3.82Å; Y377-L396 HydrophobicContact CD2-CG 4.41Å; Y377-L396 HydrophobicContact CE1-CD1 4.01Å; Y377-L396 HydrophobicContact CE1-CD2 4.48Å; Y377-L396 HydrophobicContact CE2-CD1 3.88Å; Y377-L396 HydrophobicContact CE2-CD2 3.33Å; Y377-L396 HydrophobicContact CE2-CG 4.27Å; Y377-L396 HydrophobicContact CG-CD1 3.59Å; V394-L396 HydrophobicContact CG1-CD2 3.71Å; L396-L398 HydrophobicContact CB-CD1 4.48Å; L396-L398 HydrophobicContact CB-CD2 4.46Å; L396-L398 HydrophobicContact CB-CG 4.14Å; L396-L398 HydrophobicContact CD1-CD1 4.25Å; L396-N466 CarbonylContact O-C 3.58Å; L396-N466 VanDerWaalsContact O-CA 3.28Å; L396-N466 WeakPolarHBondContact O-CA 3.47Å; L396-C467 PolarHBondContact N-O 3.47Å; L396-C467 PolarHBondContact O-N 3.43Å; L396-I469 HydrophobicContact CD1-CD1 3.45Å; L396-I469 VanDerWaalsContact CD1-CD1 3.45Å; L396-I469 HydrophobicContact CD1-CG1 3.76Å; L396-I469 HydrophobicContact CG-CG1 4.34Å |
| 397 | N | 85.2 | Confident | 62 | Low | 106 Ų | 106 | 81.3 Ų | 81.3 | 57% | 0.567 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 107.6 | 166.7 | 178 | -79.5 | 0 | 0 | 0 | 105.8 | T464 L465 N466 | N397-T464 VanDerWaalsContact ND2-CG2 3.35Å; N397-T464 WeakPolarHBondContact ND2-CG2 3.5Å; N397-T464 WeakPolarHBondContact OD1-CG2 3.29Å; N397-L465 WeakPolarHBondContact CA-O 3.28Å; N397-N466 PolarHBondContact ND2-OD1 3.02Å |
| 398 | L | 82.8 | Confident | 60.4 | Low | 24 Ų | 24 | 83 Ų | 83 | 13% | 0.126 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 120.2 | -172.1 | -57.2 | 176.9 | 0 | 0 | 0 | 109.8 | F351 A375 L396 L400 L465 | F351-L398 HydrophobicContact CD2-CD1 4.07Å; F351-L398 HydrophobicContact CE2-CD1 3.94Å; A375-L398 HydrophobicContact CB-CB 3.81Å; A375-L398 HydrophobicContact CB-CD1 4.16Å; L396-L398 HydrophobicContact CB-CD1 4.48Å; L396-L398 HydrophobicContact CB-CD2 4.46Å; L396-L398 HydrophobicContact CB-CG 4.14Å; L396-L398 HydrophobicContact CD1-CD1 4.25Å; L398-L400 PolarHBondContact O-N 2.85Å; L398-L465 PolarHBondContact N-O 3.14Å; L398-L465 PolarHBondContact O-N 2.87Å |
| 399 | P | 80.7 | Confident | 59.1 | Low | 83 Ų | 83 | 82.7 Ų | 82.7 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 125.2 | 170.4 | 27.2 | -32.7 | 0 | 0 | 0 | 109.4 | Q401 | P399-Q401 PolarHBondContact O-N 2.7Å; P399-Q401 VanDerWaalsContact O-N 3.15Å |
| 400 | L | 75.3 | Confident | 58.1 | Low | 8 Ų | 8 | 85.8 Ų | 85.8 | 4% | 0.042 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 101.5 | 178.4 | -81.4 | 163.7 | 0 | 0 | 0 | 108.9 | I226 L353 R373 W374 A375 L398 L463 L465 | I226-L400 HydrophobicContact CD1-CD1 3.9Å; I226-L400 HydrophobicContact CG1-CD1 4.17Å; I226-L400 HydrophobicContact CG2-CD1 3.69Å; L353-L400 HydrophobicContact CD2-CD1 4.25Å; R373-L400 HydrophobicContact CB-CB 3.76Å; R373-L400 HydrophobicContact CB-CD2 4.23Å; R373-L400 WeakPolarHBondContact CD-O 3.4Å; R373-L400 HydrophobicContact CG-CB 4.13Å; W374-L400 CarbonylContact O-C 3.55Å; A375-L400 HydrophobicContact CB-CD2 3.7Å; A375-L400 HydrophobicContact CB-CG 4.28Å; L398-L400 PolarHBondContact O-N 2.85Å; L400-L463 HydrophobicContact CB-CB 4.05Å; L400-L463 WeakPolarHBondContact CB-O 3.35Å; L400-L463 HydrophobicContact CD1-CB 3.87Å; L400-L463 PolarHBondContact N-O 2.94Å; L400-L465 HydrophobicContact CD1-CB 3.99Å; L400-L465 HydrophobicContact CD2-CB 4.33Å; L400-L465 HydrophobicContact CD2-CD1 4.47Å; L400-L465 HydrophobicContact CG-CB 3.96Å |
| 401 | Q | 68 | Low | 57.2 | Low | 96 Ų | 96 | 91.6 Ų | 91.6 | 45% | 0.449 | 52% | 0.523 | S | S | . | . | B | Isolated β-bridge | trans | -72.8 | 141.1 | -175.2 | -56.7 | -169 | 16.4 | 0 | 0 | 111.7 | R373 W374 P399 | R373-Q401 WeakPolarHBondContact CA-O 3.49Å; R373-Q401 VanDerWaalsContact CD-C 3.41Å; R373-Q401 WeakPolarHBondContact CD-O 3.33Å; W374-Q401 HydrophobicContact CD2-CB 4.48Å; W374-Q401 HydrophobicContact CE3-CB 4.3Å; W374-Q401 HydrophobicContact CH2-CB 3.95Å; W374-Q401 HydrophobicContact CH2-CG 4.47Å; W374-Q401 VanDerWaalsContact CH2-OE1 3.27Å; W374-Q401 HydrophobicContact CZ2-CB 4.13Å; W374-Q401 HydrophobicContact CZ3-CB 4.05Å; W374-Q401 HydrophobicContact CZ3-CG 4.34Å; W374-Q401 PolarHBondContact N-O 3.17Å; W374-Q401 PolarHBondContact O-N 2.97Å; P399-Q401 PolarHBondContact O-N 2.7Å; P399-Q401 VanDerWaalsContact O-N 3.15Å |
| 402 | G | 55.9 | Low | 56 | Low | 20 Ų | 20 | 91 Ų | 91 | 21% | 0.206 | 53% | 0.528 | C | S | . | . | trans | -109.9 | 170 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R373 V404 | R373-G402 VanDerWaalsContact CD-CA 3.48Å; G402-V404 PolarHBondContact O-N 3.45Å | ||
| 403 | S | 50.5 | Low | 54.3 | Low | 70 Ų | 70 | 95.4 Ų | 95.4 | 49% | 0.49 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -53.1 | 116.5 | 176.6 | -170 | 0 | 0 | 0 | 0 | 110.8 | R405 | S403-R405 PolarHBondContact O-N 3.29Š|
| 404 | V | 42 | Very low | 52.3 | Low | 118 Ų | 118 | 100 Ų | 100 | 72% | 0.715 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 129.7 | -173.8 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | G402 P406 | G402-V404 PolarHBondContact O-N 3.45Å; V404-P406 VanDerWaalsContact O-CD 3.28Å; V404-P406 WeakPolarHBondContact O-CD 3.22Å |
| 405 | R | 35.8 | Very low | 49.7 | Very low | 207 Ų | 207 | 101.2 Ų | 101.2 | 78% | 0.781 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 122.2 | 170.3 | -89.2 | -177.9 | 169.9 | 168.9 | -3.4 | 108.6 | S403 S407 | S403-R405 PolarHBondContact O-N 3.29Å; R405-S407 PolarHBondContact O-N 3.19Å; R405-S407 VanDerWaalsContact O-N 3.15Å |
| 406 | P | 31.5 | Very low | 47 | Very low | 102 Ų | 102 | 103.8 Ų | 103.8 | 66% | 0.662 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 122.1 | 153.1 | -13.9 | 28.9 | 0 | 0 | 0 | 106.1 | V404 I408 | V404-P406 VanDerWaalsContact O-CD 3.28Å; V404-P406 WeakPolarHBondContact O-CD 3.22Å; P406-I408 PolarHBondContact O-N 3.39Å |
| 407 | S | 30.4 | Very low | 44.4 | Very low | 114 Ų | 114 | 107.6 Ų | 107.6 | 80% | 0.797 | 63% | 0.629 | S | S | * | * | trans | -69.1 | 95.2 | 180 | 52.9 | 0 | 0 | 0 | 0 | 109 | R405 A409 | R405-S407 PolarHBondContact O-N 3.19Å; R405-S407 VanDerWaalsContact O-N 3.15Å; S407-A409 PolarHBondContact O-N 3.04Å | ||
| 408 | I | 29.8 | Very low | 41.8 | Very low | 143 Ų | 143 | 108.2 Ų | 108.2 | 73% | 0.733 | 64% | 0.641 | S | S | * | * | trans | -60.1 | 111.9 | 162.4 | -62.3 | 175.1 | 0 | 0 | 0 | 105.9 | P406 N410 | P406-I408 PolarHBondContact O-N 3.39Å; I408-N410 PolarHBondContact O-N 3.28Å | ||
| 409 | A | 29 | Very low | 39.2 | Very low | 93 Ų | 93 | 112.4 Ų | 112.4 | 77% | 0.769 | 67% | 0.673 | S | S | * | * | trans | -69.7 | 98.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | S407 | S407-A409 PolarHBondContact O-N 3.04Š| ||
| 410 | N | 30.5 | Very low | 36.9 | Very low | 137 Ų | 137 | 113.5 Ų | 113.5 | 73% | 0.733 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 130 | 162.1 | -77.1 | 4.8 | 0 | 0 | 0 | 107.5 | I408 S412 | I408-N410 PolarHBondContact O-N 3.28Å; N410-S412 PolarHBondContact O-N 2.94Å |
| 411 | D | 29.5 | Very low | 34.5 | Very low | 168 Ų | 168 | 118 Ų | 118 | 90% | 0.898 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 121.3 | 173.5 | -73.6 | -59.2 | 0 | 0 | 0 | 110.7 | ||
| 412 | S | 31.2 | Very low | 32.7 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 135.4 | 171.3 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | N410 | N410-S412 PolarHBondContact O-N 2.94Š|
| 413 | N | 29.3 | Very low | 31.3 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | -141.8 | 131.7 | 159.1 | -110.7 | -45.8 | 0 | 0 | 0 | 109.5 | ||||
| 414 | I | 31.9 | Very low | 30.1 | Very low | 173 Ų | 173 | 129 Ų | 129 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | trans | 67.6 | 126.8 | -178.3 | -42.8 | 166.4 | 0 | 0 | 0 | 113.5 | ||||
| 415 | G | 28 | Very low | 29.5 | Very low | 59 Ų | 59 | 131.3 Ų | 131.3 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | cis | 152 | 131.2 | -10.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 416 | L | 26.9 | Very low | 29 | Very low | 181 Ų | 181 | 126.8 Ų | 126.8 | 95% | 0.948 | 77% | 0.773 | S | S | * | * | trans | 67.9 | 150 | 172.8 | -56.6 | 170.4 | 0 | 0 | 0 | 115 | ||||
| 417 | S | 27.7 | Very low | 29 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | cis | -162 | 174.9 | -10.5 | 49.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 418 | S | 32.5 | Very low | 28.8 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | 71.7 | 132.7 | 166.4 | 65 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 419 | S | 26.5 | Very low | 28.6 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -120 | -175.5 | 170.5 | 64.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 420 | P | 32.7 | Very low | 28.4 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | cis | -149.2 | -178.2 | 29.1 | 44.4 | -23.4 | 0 | 0 | 0 | 118.9 | ||||
| 421 | S | 25.6 | Very low | 28.2 | Very low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | 65.4 | 138.5 | 157.8 | 66.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 422 | L | 29 | Very low | 28.2 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | cis | -120.8 | 173.5 | 28.3 | -108.2 | 86 | 0 | 0 | 0 | 116 | ||||
| 423 | S | 27.3 | Very low | 28 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -60 | 133.1 | -170.7 | 51.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 424 | I | 26.3 | Very low | 28.1 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -128.9 | 130 | 149.7 | -64.4 | 177.7 | 0 | 0 | 0 | 107.4 | T426 | I424-T426 HydrophobicContact CG2-CG2 4.41Å; I424-T426 PolarHBondContact O-N 2.94Å | ||
| 425 | N | 27.4 | Very low | 28.2 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -78.3 | 112.3 | 174.8 | -86.3 | -8.7 | 0 | 0 | 0 | 110.8 | ||||
| 426 | T | 27 | Very low | 28.9 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 68% | 0.681 | 77% | 0.772 | S | S | * | * | trans | -138.6 | 128.2 | 162.3 | 49.3 | 0 | 0 | 0 | 0 | 109.1 | I424 | I424-T426 HydrophobicContact CG2-CG2 4.41Å; I424-T426 PolarHBondContact O-N 2.94Å | ||
| 427 | N | 29.8 | Very low | 29.3 | Very low | 175 Ų | 175 | 131.8 Ų | 131.8 | 94% | 0.936 | 75% | 0.746 | S | S | * | * | trans | -88.8 | 117.5 | 172.3 | -81.9 | -10.9 | 0 | 0 | 0 | 109.4 | ||||
| 428 | K | 26.6 | Very low | 29.5 | Very low | 196 Ų | 196 | 134.4 Ų | 134.4 | 85% | 0.852 | 75% | 0.748 | S | S | * | * | trans | -98.9 | 145.8 | 161.9 | -76.8 | -176.3 | 174.2 | -179 | 0 | 109.5 | ||||
| 429 | I | 25.7 | Very low | 29.8 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 84% | 0.841 | 73% | 0.733 | S | S | * | * | trans | -129.4 | 144.1 | 159.8 | -63.2 | -179.1 | 0 | 0 | 0 | 107.1 | ||||
| 430 | Q | 25.6 | Very low | 30.4 | Very low | 182 Ų | 182 | 135.7 Ų | 135.7 | 85% | 0.85 | 72% | 0.721 | S | S | * | * | trans | -104.6 | 150.5 | 173 | -61.2 | 172 | -85.9 | 0 | 0 | 109.7 | ||||
| 431 | I | 26 | Very low | 30.5 | Very low | 171 Ų | 171 | 135 Ų | 135 | 88% | 0.877 | 71% | 0.712 | S | S | * | * | trans | -165.3 | 161.7 | 152.8 | -101.7 | 146 | 0 | 0 | 0 | 108.3 | ||||
| 432 | S | 28.3 | Very low | 31 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 62% | 0.622 | 71% | 0.71 | S | S | * | * | trans | -117.1 | 170.4 | -176.7 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 433 | D | 28.9 | Very low | 31.5 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 82% | 0.824 | 69% | 0.691 | S | S | * | * | trans | 69.4 | 57.8 | 158.3 | -51.2 | -40.2 | 0 | 0 | 0 | 119.6 | ||||
| 434 | A | 31.1 | Very low | 32.3 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 65% | 0.653 | 68% | 0.681 | S | S | * | * | trans | -160.3 | 92.5 | 147.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 435 | D | 33.4 | Very low | 33.3 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 74% | 0.738 | 65% | 0.654 | S | S | * | * | trans | -65.4 | 151.3 | -177.7 | -105.6 | -52.8 | 0 | 0 | 0 | 114.5 | Y437 K439 | D435-Y437 PolarHBondContact O-N 3.35Å; D435-Y437 VanDerWaalsContact O-N 3.16Å; D435-K439 IonicContact OD1-NZ 3.74Å; D435-K439 PolarHBondContact OD1-NZ 3.18Å | ||
| 436 | D | 42.7 | Very low | 34.5 | Very low | 82 Ų | 82 | 120.1 Ų | 120.1 | 44% | 0.439 | 61% | 0.613 | S | S | . | * | S | Bend | trans | 64.8 | -1.7 | 162.4 | -69.8 | -10.3 | 0 | 0 | 0 | 121.3 | K439 Y440 | D436-K439 WeakPolarHBondContact OD1-CD 3.42Å; D436-K439 IonicContact OD1-NZ 2.68Å; D436-K439 PolarHBondContact OD1-NZ 2.82Å; D436-Y440 WeakPolarHBondContact O-CD2 3.5Å |
| 437 | Y | 34.6 | Very low | 35.4 | Very low | 107 Ų | 107 | 117.7 Ų | 117.7 | 42% | 0.42 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -81 | -41.3 | 166.2 | -154.8 | -110.3 | 0 | 0 | 0 | 112.6 | D66 D435 Y440 L441 | D66-Y437 PolarHBondContact OD2-OH 2.91Å; D66-Y437 VanDerWaalsContact OD2-OH 3.08Å; D435-Y437 PolarHBondContact O-N 3.35Å; D435-Y437 VanDerWaalsContact O-N 3.16Å; Y437-Y440 WeakPolarHBondContact O-CB 3.45Å; Y437-Y440 PolarHBondContact O-N 3.33Å; Y437-L441 HydrophobicContact CD1-CD1 3.85Å; Y437-L441 HydrophobicContact CE1-CD1 3.63Å; Y437-L441 PolarHBondContact O-N 3.2Å |
| 438 | E | 31.7 | Very low | 36.4 | Very low | 152 Ų | 152 | 115 Ų | 115 | 71% | 0.71 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.9 | -36.8 | -178.3 | -66.9 | -170.4 | 127.2 | 0 | 0 | 113 | Y440 L441 L442 | E438-Y440 PolarHBondContact O-N 3.39Å; E438-L441 CarbonylContact O-C 3.58Å; E438-L441 PolarHBondContact O-N 2.8Å; E438-L441 VanDerWaalsContact O-N 3.09Å; E438-L442 WeakPolarHBondContact O-CB 3.11Å; E438-L442 VanDerWaalsContact O-CG 3.26Å; E438-L442 WeakPolarHBondContact O-CG 3.42Å; E438-L442 PolarHBondContact O-N 3.38Å |
| 439 | K | 40.3 | Very low | 37.4 | Very low | 120 Ų | 120 | 105.8 Ų | 105.8 | 52% | 0.522 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -57.8 | -30 | 170.3 | -76.2 | 165 | -172.6 | 146.4 | 0 | 112.8 | D435 D436 | D435-K439 IonicContact OD1-NZ 3.74Å; D435-K439 PolarHBondContact OD1-NZ 3.18Å; D436-K439 WeakPolarHBondContact OD1-CD 3.42Å; D436-K439 IonicContact OD1-NZ 2.68Å; D436-K439 PolarHBondContact OD1-NZ 2.82Å |
| 440 | Y | 37.9 | Very low | 38.6 | Very low | 137 Ų | 137 | 98.3 Ų | 98.3 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -75.6 | -32.1 | 177.3 | -100 | -102.4 | 0 | 0 | 0 | 112.6 | W5 D436 Y437 E438 | W5-Y440 PolarHBondContact O-OH 2.84Å; D436-Y440 WeakPolarHBondContact O-CD2 3.5Å; Y437-Y440 WeakPolarHBondContact O-CB 3.45Å; Y437-Y440 PolarHBondContact O-N 3.33Å; E438-Y440 PolarHBondContact O-N 3.39Å |
| 441 | L | 35.4 | Very low | 39.9 | Very low | 93 Ų | 93 | 92.1 Ų | 92.1 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -83.9 | -25.3 | 172.7 | -86.9 | 145.2 | 0 | 0 | 0 | 113.3 | Y437 E438 R443 T444 | Y437-L441 HydrophobicContact CD1-CD1 3.85Å; Y437-L441 HydrophobicContact CE1-CD1 3.63Å; Y437-L441 PolarHBondContact O-N 3.2Å; E438-L441 CarbonylContact O-C 3.58Å; E438-L441 PolarHBondContact O-N 2.8Å; E438-L441 VanDerWaalsContact O-N 3.09Å; L441-R443 PolarHBondContact O-N 2.93Å; L441-T444 HydrophobicContact CD2-CG2 3.79Å; L441-T444 WeakPolarHBondContact O-CG2 3.39Å; L441-T444 PolarHBondContact O-N 2.95Å; L441-T444 PolarHBondContact O-OG1 2.89Å |
| 442 | L | 36.5 | Very low | 41.4 | Very low | 131 Ų | 131 | 87.3 Ų | 87.3 | 69% | 0.686 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 5.3 | 173.4 | -78.2 | 164.8 | 0 | 0 | 0 | 114.4 | E438 | E438-L442 WeakPolarHBondContact O-CB 3.11Å; E438-L442 VanDerWaalsContact O-CG 3.26Å; E438-L442 WeakPolarHBondContact O-CG 3.42Å; E438-L442 PolarHBondContact O-N 3.38Å |
| 443 | R | 39.2 | Very low | 42.7 | Very low | 118 Ų | 118 | 85 Ų | 85 | 45% | 0.445 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | 35.9 | 165.8 | -67.4 | -150.2 | 166.7 | -146.2 | -3.5 | 113.5 | L441 V445 L451 T454 | L441-R443 PolarHBondContact O-N 2.93Å; R443-V445 VanDerWaalsContact C-N 3.28Å; R443-V445 PolarHBondContact O-N 2.91Å; R443-L451 HydrophobicContact CB-CD1 3.84Å; R443-L451 HydrophobicContact CG-CD1 3.66Å; R443-L451 HydrophobicContact CG-CD2 4.19Å; R443-L451 HydrophobicContact CG-CG 4.4Å; R443-L451 PolarHBondContact NH1-O 2.9Å; R443-T454 PolarHBondContact NH2-OG1 2.82Å |
| 444 | T | 43.4 | Very low | 43.6 | Very low | 87 Ų | 87 | 80.4 Ų | 80.4 | 53% | 0.534 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -67.2 | 83.4 | 175.8 | 38.7 | 0 | 0 | 0 | 0 | 113.3 | L441 C446 | L441-T444 HydrophobicContact CD2-CG2 3.79Å; L441-T444 WeakPolarHBondContact O-CG2 3.39Å; L441-T444 PolarHBondContact O-N 2.95Å; L441-T444 PolarHBondContact O-OG1 2.89Å; T444-C446 PolarHBondContact O-N 2.83Å; T444-C446 VanDerWaalsContact O-N 3.07Å |
| 445 | V | 48.5 | Very low | 44.3 | Very low | 32 Ų | 32 | 82.8 Ų | 82.8 | 19% | 0.194 | 42% | 0.42 | C | S | . | . | S | Bend | trans | 67.4 | -5.3 | 169.2 | -135 | 0 | 0 | 0 | 0 | 118.2 | R277 F278 R443 | R277-V445 CarbonylContact C-O 3.57Å; R277-V445 CarbonylContact O-C 3.55Å; F278-V445 HydrophobicContact CB-CG1 4.1Å; F278-V445 HydrophobicContact CD1-CB 3.96Å; F278-V445 HydrophobicContact CD1-CG1 3.5Å; F278-V445 HydrophobicContact CD1-CG2 4.19Å; F278-V445 HydrophobicContact CE1-CB 4.15Å; F278-V445 HydrophobicContact CE1-CG1 4.11Å; F278-V445 HydrophobicContact CE1-CG2 3.94Å; F278-V445 HydrophobicContact CG-CB 4.3Å; F278-V445 HydrophobicContact CG-CG1 3.92Å; R443-V445 VanDerWaalsContact C-N 3.28Å; R443-V445 PolarHBondContact O-N 2.91Å |
| 446 | C | 52.2 | Low | 45 | Very low | 4 Ų | 4 | 83.1 Ų | 83.1 | 3% | 0.027 | 42% | 0.422 | C | S | . | . | trans | 104.8 | 77.2 | 164.9 | -155.1 | 0 | 0 | 0 | 0 | 114.7 | R277 T444 G449 L451 C452 | R277-C446 WeakPolarHBondContact CA-O 3.45Å; T444-C446 PolarHBondContact O-N 2.83Å; T444-C446 VanDerWaalsContact O-N 3.07Å; C446-G449 WeakPolarHBondContact SG-CA 3.38Å; C446-G449 PolarHBondContact SG-O 3.17Å; C446-L451 HydrophobicContact CB-CB 4.39Å; C446-L451 WeakPolarHBondContact SG-CB 2.93Å; C446-L451 PolarHBondContact SG-N 2.97Å; C446-L451 VanDerWaalsContact SG-N 3.35Å; C446-C452 VanDerWaalsContact SG-SG 3.65Å | ||
| 447 | P | 46.4 | Very low | 45.1 | Very low | 61 Ų | 61 | 80.2 Ų | 80.2 | 40% | 0.396 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -46.9 | -175.1 | 24.9 | -33.2 | 0 | 0 | 0 | 112.5 | ||
| 448 | D | 49.4 | Very low | 45.7 | Very low | 118 Ų | 118 | 85.7 Ų | 85.7 | 63% | 0.631 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 19.7 | -174.5 | -39.3 | -51.8 | 0 | 0 | 0 | 112.2 | I376 G450 | I376-D448 WeakPolarHBondContact CD1-O 3.5Å; D448-G450 PolarHBondContact O-N 3.13Å |
| 449 | G | 48.7 | Very low | 46.5 | Very low | 3 Ų | 3 | 79.7 Ų | 79.7 | 3% | 0.031 | 40% | 0.403 | C | S | . | . | S | Bend | trans | 62.1 | -25.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | I376 C446 L451 C452 F453 | I376-G449 VanDerWaalsContact CD1-CA 3.47Å; C446-G449 WeakPolarHBondContact SG-CA 3.38Å; C446-G449 PolarHBondContact SG-O 3.17Å; G449-L451 PolarHBondContact O-N 3.33Å; G449-C452 WeakPolarHBondContact O-CB 3.49Å; G449-C452 PolarHBondContact O-N 2.86Å; G449-C452 VanDerWaalsContact O-N 3.08Å; G449-F453 WeakPolarHBondContact O-CD2 3.47Å; G449-F453 WeakPolarHBondContact O-CE2 2.92Å |
| 450 | G | 51.3 | Low | 47.1 | Very low | 7 Ų | 7 | 80 Ų | 80 | 7% | 0.072 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -59 | -21.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | D448 C452 F453 T454 | D448-G450 PolarHBondContact O-N 3.13Å; G450-C452 VanDerWaalsContact C-N 3.3Å; G450-C452 PolarHBondContact O-N 2.93Å; G450-F453 PolarHBondContact O-N 2.89Å; G450-T454 WeakPolarHBondContact O-CG2 3.4Å; G450-T454 PolarHBondContact O-N 3.24Å |
| 451 | L | 51.4 | Low | 48.2 | Very low | 51 Ų | 51 | 74.6 Ų | 74.6 | 27% | 0.267 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -74.3 | -21.4 | -179.9 | -47.6 | 174.7 | 0 | 0 | 0 | 112.9 | R443 C446 G449 F453 T454 | R443-L451 HydrophobicContact CB-CD1 3.84Å; R443-L451 HydrophobicContact CG-CD1 3.66Å; R443-L451 HydrophobicContact CG-CD2 4.19Å; R443-L451 HydrophobicContact CG-CG 4.4Å; R443-L451 PolarHBondContact NH1-O 2.9Å; C446-L451 HydrophobicContact CB-CB 4.39Å; C446-L451 WeakPolarHBondContact SG-CB 2.93Å; C446-L451 PolarHBondContact SG-N 2.97Å; C446-L451 VanDerWaalsContact SG-N 3.35Å; G449-L451 PolarHBondContact O-N 3.33Å; L451-F453 VanDerWaalsContact C-N 3.29Å; L451-T454 PolarHBondContact O-OG1 3.06Å |
| 452 | C | 58.5 | Low | 49.8 | Very low | 70 Ų | 70 | 76.1 Ų | 76.1 | 47% | 0.473 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -77.5 | -17.1 | 172 | -62.4 | 0 | 0 | 0 | 0 | 112.2 | C446 G449 G450 | C446-C452 VanDerWaalsContact SG-SG 3.65Å; G449-C452 WeakPolarHBondContact O-CB 3.49Å; G449-C452 PolarHBondContact O-N 2.86Å; G449-C452 VanDerWaalsContact O-N 3.08Å; G450-C452 VanDerWaalsContact C-N 3.3Å; G450-C452 PolarHBondContact O-N 2.93Å |
| 453 | F | 54.5 | Low | 51.7 | Low | 41 Ų | 41 | 70.4 Ų | 70.4 | 18% | 0.18 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -118 | 17.5 | -172.7 | -48.9 | -62.3 | 0 | 0 | 0 | 113 | F273 V350 V352 W374 G449 G450 L451 N455 | F273-F453 HydrophobicContact CE2-CE1 4.4Å; F273-F453 HydrophobicContact CE2-CE2 4.48Å; F273-F453 AromaticContact CE2-CZ 3.7Å; F273-F453 HydrophobicContact CE2-CZ 3.7Å; F273-F453 AromaticContact CZ-CE1 3.77Å; F273-F453 HydrophobicContact CZ-CE1 3.77Å; F273-F453 HydrophobicContact CZ-CE2 4.3Å; F273-F453 AromaticContact CZ-CZ 3.45Å; F273-F453 HydrophobicContact CZ-CZ 3.45Å; F273-F453 VanDerWaalsContact CZ-CZ 3.45Å; V350-F453 HydrophobicContact CG1-CE2 3.84Å; V350-F453 HydrophobicContact CG1-CZ 4.22Å; V352-F453 HydrophobicContact CG2-CD1 4.39Å; V352-F453 HydrophobicContact CG2-CE1 4.38Å; W374-F453 VanDerWaalsContact CD1-CB 3.46Å; W374-F453 HydrophobicContact CG-CB 4.16Å; W374-F453 HydrophobicContact CG-CD2 4.33Å; G449-F453 WeakPolarHBondContact O-CD2 3.47Å; G449-F453 WeakPolarHBondContact O-CE2 2.92Å; G450-F453 PolarHBondContact O-N 2.89Å; L451-F453 VanDerWaalsContact C-N 3.29Å; F453-N455 PolarHBondContact O-N 3.26Å |
| 454 | T | 48.9 | Very low | 53.9 | Low | 58 Ų | 58 | 65.4 Ų | 65.4 | 36% | 0.356 | 35% | 0.352 | S | S | . | . | trans | -76.9 | 84 | 174.4 | 55 | 0 | 0 | 0 | 0 | 111.8 | R443 G450 L451 | R443-T454 PolarHBondContact NH2-OG1 2.82Å; G450-T454 WeakPolarHBondContact O-CG2 3.4Å; G450-T454 PolarHBondContact O-N 3.24Å; L451-T454 PolarHBondContact O-OG1 3.06Å | ||
| 455 | N | 46.5 | Very low | 55.9 | Low | 128 Ų | 128 | 61.2 Ų | 61.2 | 68% | 0.684 | 33% | 0.326 | S | S | * | . | trans | -133.9 | 168.9 | 161.9 | -95.9 | -37.5 | 0 | 0 | 0 | 110.9 | F453 V457 | F453-N455 PolarHBondContact O-N 3.26Å; N455-V457 PolarHBondContact O-N 3.26Å | ||
| 456 | N | 46.4 | Very low | 57.8 | Low | 145 Ų | 145 | 61.7 Ų | 61.7 | 78% | 0.775 | 33% | 0.327 | S | S | * | . | trans | -85.7 | 109.7 | -155.3 | -65.3 | -38.9 | 0 | 0 | 0 | 115.3 | ||||
| 457 | V | 45.2 | Very low | 59.6 | Low | 22 Ų | 22 | 61.7 Ų | 61.7 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | trans | -140.7 | 108.6 | 141.4 | -175.4 | 0 | 0 | 0 | 0 | 109.7 | L240 R373 N455 S459 | L240-V457 HydrophobicContact CD1-CG1 3.99Å; L240-V457 HydrophobicContact CD1-CG2 4.01Å; R373-V457 PolarHBondContact NH1-O 2.86Å; N455-V457 PolarHBondContact O-N 3.26Å; V457-S459 PolarHBondContact O-N 2.83Å | ||
| 458 | R | 46.6 | Very low | 61.5 | Low | 221 Ų | 221 | 59.8 Ų | 59.8 | 83% | 0.834 | 32% | 0.315 | S | S | * | . | trans | -77.6 | 118.7 | 167.4 | -72.1 | -177.7 | 178.7 | 177.8 | 1.2 | 108.7 | ||||
| 459 | S | 49.1 | Very low | 63.2 | Low | 27 Ų | 27 | 54.2 Ų | 54.2 | 19% | 0.189 | 29% | 0.285 | C | S | . | . | trans | -147.7 | 149.4 | 170.3 | 162.2 | 0 | 0 | 0 | 0 | 107.9 | R373 V457 M461 | R373-S459 PolarHBondContact NH2-O 3.12Å; V457-S459 PolarHBondContact O-N 2.83Å; S459-M461 PolarHBondContact OG-N 3.35Å | ||
| 460 | T | 52.8 | Low | 64.7 | Low | 126 Ų | 126 | 55.2 Ų | 55.2 | 77% | 0.773 | 29% | 0.292 | S | S | * | . | trans | -98.4 | 4 | 179.6 | 49 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 461 | M | 60.7 | Low | 65.6 | Low | 23 Ų | 23 | 55.3 Ų | 55.3 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | trans | -81.1 | 133 | -178.1 | -70 | 177.1 | 65.2 | 0 | 0 | 112.6 | S228 S231 F236 S459 L463 | S228-M461 WeakPolarHBondContact OG-CE 3.24Å; S231-M461 VanDerWaalsContact OG-CE 3.32Å; S231-M461 WeakPolarHBondContact OG-CE 3.49Å; F236-M461 HydrophobicContact CB-CE 3.82Å; F236-M461 HydrophobicContact CB-SD 3.63Å; F236-M461 HydrophobicContact CD2-SD 3.85Å; F236-M461 HydrophobicContact CG-SD 4.11Å; S459-M461 PolarHBondContact OG-N 3.35Å; M461-L463 PolarHBondContact O-N 2.72Å | ||
| 462 | E | 68.8 | Low | 66.1 | Low | 126 Ų | 126 | 53.7 Ų | 53.7 | 59% | 0.589 | 29% | 0.288 | S | S | * | . | trans | -83.9 | 104.7 | 168.3 | -65.9 | 179.8 | 172.3 | 0 | 0 | 109.4 | N229 | N229-E462 PolarHBondContact ND2-OE2 2.61Š| ||
| 463 | L | 78.1 | Confident | 65.6 | Low | 10 Ų | 10 | 57.4 Ų | 57.4 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 141.2 | 166.5 | -63.8 | 176.3 | 0 | 0 | 0 | 108.3 | I226 T227 L353 R373 L400 M461 | I226-L463 HydrophobicContact CG2-CB 4.09Å; I226-L463 HydrophobicContact CG2-CD2 4.45Å; T227-L463 WeakPolarHBondContact O-CA 3.48Å; L353-L463 HydrophobicContact CD2-CD1 3.74Å; R373-L463 HydrophobicContact CG-CD1 4.45Å; L400-L463 HydrophobicContact CB-CB 4.05Å; L400-L463 WeakPolarHBondContact CB-O 3.35Å; L400-L463 HydrophobicContact CD1-CB 3.87Å; L400-L463 PolarHBondContact N-O 2.94Å; M461-L463 PolarHBondContact O-N 2.72Å |
| 464 | T | 83.6 | Confident | 64.9 | Low | 13 Ų | 13 | 60.1 Ų | 60.1 | 8% | 0.08 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 125.1 | 179.2 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | I226 T227 N397 | I226-T464 VanDerWaalsContact CA-O 3.3Å; I226-T464 WeakPolarHBondContact CA-O 3.31Å; T227-T464 PolarHBondContact N-O 2.89Å; T227-T464 PolarHBondContact O-N 3.47Å; T227-T464 PolarHBondContact OG1-O 2.81Å; N397-T464 VanDerWaalsContact ND2-CG2 3.35Å; N397-T464 WeakPolarHBondContact ND2-CG2 3.5Å; N397-T464 WeakPolarHBondContact OD1-CG2 3.29Å |
| 465 | L | 86.2 | Confident | 64.4 | Low | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 125.1 | 175.7 | -178.6 | 144.8 | 0 | 0 | 0 | 109.7 | I224 I226 V270 F351 N397 L398 L400 C467 | I224-L465 HydrophobicContact CG2-CD1 4.34Å; I226-L465 HydrophobicContact CD1-CD1 4.49Å; I226-L465 HydrophobicContact CG1-CB 4.38Å; I226-L465 HydrophobicContact CG1-CD1 4.39Å; I226-L465 HydrophobicContact CG1-CG 4.44Å; V270-L465 HydrophobicContact CG1-CD1 4.2Å; V270-L465 HydrophobicContact CG2-CD1 4.44Å; F351-L465 HydrophobicContact CB-CD1 3.99Å; F351-L465 HydrophobicContact CD1-CD1 3.66Å; F351-L465 HydrophobicContact CD1-CD2 3.86Å; F351-L465 HydrophobicContact CD1-CG 4.46Å; F351-L465 HydrophobicContact CE1-CD1 4.43Å; F351-L465 HydrophobicContact CE1-CD2 3.9Å; F351-L465 HydrophobicContact CG-CD1 4.03Å; F351-L465 HydrophobicContact CG-CD2 4.27Å; F351-L465 HydrophobicContact CZ-CD2 4.34Å; N397-L465 WeakPolarHBondContact CA-O 3.28Å; L398-L465 PolarHBondContact N-O 3.14Å; L398-L465 PolarHBondContact O-N 2.87Å; L400-L465 HydrophobicContact CD1-CB 3.99Å; L400-L465 HydrophobicContact CD2-CB 4.33Å; L400-L465 HydrophobicContact CD2-CD1 4.47Å; L400-L465 HydrophobicContact CG-CB 3.96Å; L465-C467 HydrophobicContact CD2-CB 4.1Å |
| 466 | N | 88.4 | Confident | 63.7 | Low | 41 Ų | 41 | 63.8 Ų | 63.8 | 22% | 0.219 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 135.1 | 172.4 | -53.9 | -88.9 | 0 | 0 | 0 | 108.1 | I224 S225 T227 L396 N397 | I224-N466 CarbonylContact C-O 3.54Å; I224-N466 VanDerWaalsContact CA-O 3.28Å; I224-N466 WeakPolarHBondContact CA-O 3.49Å; S225-N466 PolarHBondContact N-O 2.63Å; S225-N466 PolarHBondContact O-N 3.16Å; S225-N466 PolarHBondContact O-ND2 3.36Å; T227-N466 PolarHBondContact OG1-ND2 3.43Å; L396-N466 CarbonylContact O-C 3.58Å; L396-N466 VanDerWaalsContact O-CA 3.28Å; L396-N466 WeakPolarHBondContact O-CA 3.47Å; N397-N466 PolarHBondContact ND2-OD1 3.02Å |
| 467 | C | 89.5 | Confident | 63.1 | Low | 5 Ų | 5 | 65.7 Ų | 65.7 | 3% | 0.034 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 165.9 | 173.1 | 67.9 | 0 | 0 | 0 | 0 | 112.2 | V221 K222 I224 N395 L396 L465 | V221-C467 HydrophobicContact CG1-CB 4.08Å; K222-C467 CarbonylContact O-C 3.58Å; K222-C467 WeakPolarHBondContact O-CA 3.34Å; K222-C467 WeakPolarHBondContact O-CB 3.29Å; I224-C467 HydrophobicContact CB-CB 4.35Å; I224-C467 HydrophobicContact CG1-CB 3.6Å; N395-C467 CarbonylContact C-O 3.51Å; N395-C467 WeakPolarHBondContact CA-O 3.35Å; L396-C467 PolarHBondContact N-O 3.47Å; L396-C467 PolarHBondContact O-N 3.43Å; L465-C467 HydrophobicContact CD2-CB 4.1Å |
| 468 | T | 86.4 | Confident | 62.5 | Low | 21 Ų | 21 | 70 Ų | 70 | 13% | 0.129 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 116.6 | 176.4 | -52 | 0 | 0 | 0 | 0 | 109.7 | V221 K222 D223 N395 | V221-T468 CarbonylContact C-O 3.49Å; V221-T468 WeakPolarHBondContact CA-O 3.42Å; K222-T468 PolarHBondContact N-O 2.72Å; K222-T468 PolarHBondContact O-N 3.37Å; D223-T468 WeakPolarHBondContact OD2-CB 3.47Å; D223-T468 PolarHBondContact OD2-OG1 3.35Å; N395-T468 WeakPolarHBondContact OD1-CG2 3.26Å; N395-T468 PolarHBondContact OD1-OG1 2.7Å |
| 469 | I | 85.4 | Confident | 61.5 | Low | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 133.9 | 174.4 | -63 | -159.5 | 0 | 0 | 0 | 109.9 | I219 F220 V221 F351 Y377 I385 S393 V394 L396 | I219-I469 HydrophobicContact CG2-CG2 3.4Å; F220-I469 CarbonylContact O-C 3.51Å; F220-I469 WeakPolarHBondContact O-CA 3.44Å; V221-I469 HydrophobicContact CG1-CG1 4.23Å; V221-I469 HydrophobicContact CG2-CD1 4.25Å; V221-I469 HydrophobicContact CG2-CG1 4.17Å; F351-I469 HydrophobicContact CZ-CD1 4.29Å; Y377-I469 HydrophobicContact CD1-CD1 3.88Å; Y377-I469 HydrophobicContact CE1-CD1 4.09Å; I385-I469 HydrophobicContact CD1-CG2 4.35Å; S393-I469 CarbonylContact C-O 3.57Å; S393-I469 VanDerWaalsContact CA-O 3.29Å; S393-I469 WeakPolarHBondContact CA-O 3.03Å; V394-I469 PolarHBondContact N-O 2.94Å; V394-I469 PolarHBondContact O-N 3.49Å; L396-I469 HydrophobicContact CD1-CD1 3.45Å; L396-I469 VanDerWaalsContact CD1-CD1 3.45Å; L396-I469 HydrophobicContact CD1-CG1 3.76Å; L396-I469 HydrophobicContact CG-CG1 4.34Å |
| 470 | S | 80.9 | Confident | 60.5 | Low | 25 Ų | 25 | 74.8 Ų | 74.8 | 18% | 0.175 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 148.5 | 177.3 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | I219 F220 N392 | I219-S470 CarbonylContact C-O 3.44Å; I219-S470 WeakPolarHBondContact CA-O 3.24Å; F220-S470 PolarHBondContact N-O 3.47Å; F220-S470 PolarHBondContact O-N 3.22Å; N392-S470 WeakPolarHBondContact O-CA 3.44Å |
| 471 | A | 70.7 | Confident | 59.4 | Low | 9 Ų | 9 | 73.4 Ų | 73.4 | 7% | 0.074 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 144.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V217 I385 N392 | V217-A471 HydrophobicContact CG1-CB 4.03Å; I385-A471 HydrophobicContact CG2-CB 3.75Å; I385-A471 VanDerWaalsContact O-CB 3.29Å; I385-A471 WeakPolarHBondContact O-CB 3.4Å; N392-A471 PolarHBondContact O-N 2.91Å |
| 472 | G | 60.5 | Low | 57.8 | Low | 17 Ų | 17 | 79.1 Ų | 79.1 | 18% | 0.175 | 46% | 0.455 | C | S | . | . | S | Bend | trans | 150.5 | -175.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A389 | A389-G472 WeakPolarHBondContact O-CA 3.47Š|
| 473 | I | 48.8 | Very low | 56.1 | Low | 147 Ų | 147 | 79.8 Ų | 79.8 | 75% | 0.754 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -78.9 | 141.4 | 171.2 | -60.9 | 171.6 | 0 | 0 | 0 | 108 | K475 | I473-K475 PolarHBondContact O-N 2.95Å; I473-K475 VanDerWaalsContact O-N 3.16Å |
| 474 | P | 39.3 | Very low | 53.7 | Low | 99 Ų | 99 | 88 Ų | 88 | 64% | 0.643 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 122.8 | 176.5 | 22.4 | -34.4 | 0 | 0 | 0 | 110.9 | A476 | P474-A476 PolarHBondContact O-N 3.23Š|
| 475 | K | 39.4 | Very low | 51 | Low | 163 Ų | 163 | 94.1 Ų | 94.1 | 71% | 0.709 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 124.2 | 174.9 | -78.2 | 179.1 | 175.3 | 172 | 0 | 109.2 | N391 I473 M477 | N391-K475 WeakPolarHBondContact OD1-CE 3.35Å; N391-K475 PolarHBondContact OD1-NZ 3.26Å; I473-K475 PolarHBondContact O-N 2.95Å; I473-K475 VanDerWaalsContact O-N 3.16Å; K475-M477 PolarHBondContact O-N 3.17Å |
| 476 | A | 30.6 | Very low | 48.3 | Very low | 100 Ų | 100 | 100.4 Ų | 100.4 | 83% | 0.826 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 126.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | P474 S478 | P474-A476 PolarHBondContact O-N 3.23Å; A476-S478 PolarHBondContact O-N 3.29Å |
| 477 | M | 34.2 | Very low | 45.3 | Very low | 184 Ų | 184 | 101.7 Ų | 101.7 | 91% | 0.906 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 135.5 | 176.1 | -79.8 | -170.4 | 165.2 | 0 | 0 | 109.5 | K475 E479 | K475-M477 PolarHBondContact O-N 3.17Å; M477-E479 PolarHBondContact O-N 3.3Å |
| 478 | S | 31.7 | Very low | 42.3 | Very low | 112 Ų | 112 | 109.6 Ų | 109.6 | 78% | 0.783 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 127.8 | 173.3 | 51.8 | 0 | 0 | 0 | 0 | 110.6 | A476 N480 | A476-S478 PolarHBondContact O-N 3.29Å; S478-N480 PolarHBondContact O-N 3.09Å |
| 479 | E | 26.8 | Very low | 39.6 | Very low | 182 Ų | 182 | 114.9 Ų | 114.9 | 85% | 0.85 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -57.6 | 110.8 | 170 | -59.9 | 175.7 | 134.5 | 0 | 0 | 109.6 | M477 | M477-E479 PolarHBondContact O-N 3.3Š|
| 480 | N | 27.4 | Very low | 36.8 | Very low | 167 Ų | 167 | 119.8 Ų | 119.8 | 89% | 0.893 | 71% | 0.709 | S | S | * | * | trans | 159 | 63.7 | 154 | -87.8 | -58.9 | 0 | 0 | 0 | 111.6 | S478 | S478-N480 PolarHBondContact O-N 3.09Š| ||
| 481 | A | 30.8 | Very low | 34.3 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | trans | -151.6 | 91.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 482 | V | 27.2 | Very low | 32.1 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | trans | -99.7 | 100.8 | -179.8 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 483 | V | 32.4 | Very low | 30.5 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -146.6 | 129.9 | 150.7 | -178.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 484 | E | 26.7 | Very low | 29.5 | Very low | 183 Ų | 183 | 140 Ų | 140 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -90.2 | 130.9 | 177.1 | -58.5 | 176.8 | 131 | 0 | 0 | 110.8 | ||||
| 485 | D | 28.3 | Very low | 28.9 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | -161.2 | 96.1 | 154.8 | -157.3 | -13.9 | 0 | 0 | 0 | 111.1 | A487 | D485-A487 PolarHBondContact O-N 3.11Š| ||
| 486 | P | 28.6 | Very low | 28.2 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -90.8 | 61.4 | -172.2 | 36.2 | -35.4 | 0 | 0 | 0 | 113.3 | ||||
| 487 | A | 25.8 | Very low | 28.3 | Very low | 68 Ų | 68 | 141.5 Ų | 141.5 | 56% | 0.562 | 79% | 0.792 | S | S | * | * | trans | -130.2 | 145.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D485 | D485-A487 PolarHBondContact O-N 3.11Š| ||
| 488 | L | 27.2 | Very low | 28 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | 84.1 | 63.5 | 178.2 | -56 | 166.2 | 0 | 0 | 0 | 118.4 | ||||
| 489 | V | 29.7 | Very low | 27.9 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -134.4 | 99.9 | 142.8 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | R491 | V489-R491 HydrophobicContact CG1-CG 4.15Å; V489-R491 PolarHBondContact O-N 3.32Å | ||
| 490 | A | 26.5 | Very low | 27.9 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -86 | 93.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | M492 | A490-M492 PolarHBondContact O-N 3.17Š| ||
| 491 | R | 27.6 | Very low | 28 | Very low | 228 Ų | 228 | 140 Ų | 140 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 117.3 | 165.7 | -77.6 | -175.1 | 172.8 | 176.9 | -2.8 | 108.6 | V489 | V489-R491 HydrophobicContact CG1-CG 4.15Å; V489-R491 PolarHBondContact O-N 3.32Å |
| 492 | M | 24.2 | Very low | 28 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 146.6 | 159.7 | -68.3 | 177.6 | 66.6 | 0 | 0 | 108.9 | A490 V494 | A490-M492 PolarHBondContact O-N 3.17Å; M492-V494 PolarHBondContact O-N 3.4Å |
| 493 | P | 26.6 | Very low | 27.7 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 119.9 | 173.9 | 26.7 | -33.3 | 0 | 0 | 0 | 109.6 | ||
| 494 | V | 27.9 | Very low | 27.6 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 62% | 0.618 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 136.7 | 167.3 | -178.6 | 0 | 0 | 0 | 0 | 106.9 | M492 D496 | M492-V494 PolarHBondContact O-N 3.4Å; V494-D496 PolarHBondContact O-N 2.98Å |
| 495 | P | 26.7 | Very low | 27.4 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 58% | 0.584 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 131.6 | 173.1 | -21.1 | 32.8 | 0 | 0 | 0 | 110.6 | Y497 | P495-Y497 HydrophobicContact CB-CE2 4.21Å; P495-Y497 VanDerWaalsContact O-CD2 3.27Å; P495-Y497 WeakPolarHBondContact O-CD2 3.4Å; P495-Y497 PolarHBondContact O-N 2.91Å |
| 496 | D | 26.1 | Very low | 27.4 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -69.7 | 91.3 | -178.2 | -69 | -55.5 | 0 | 0 | 0 | 111.9 | V494 F498 | V494-D496 PolarHBondContact O-N 2.98Å; D496-F498 PolarHBondContact O-N 3.07Å | ||
| 497 | Y | 31.9 | Very low | 27.1 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 58% | 0.58 | 78% | 0.778 | S | S | * | * | trans | -76.5 | 102.5 | 163.9 | -70.8 | -84.6 | 0 | 0 | 0 | 108.8 | P495 I499 | P495-Y497 HydrophobicContact CB-CE2 4.21Å; P495-Y497 VanDerWaalsContact O-CD2 3.27Å; P495-Y497 WeakPolarHBondContact O-CD2 3.4Å; P495-Y497 PolarHBondContact O-N 2.91Å; Y497-I499 PolarHBondContact O-N 3.35Å | ||
| 498 | F | 27.2 | Very low | 27.1 | Very low | 198 Ų | 198 | 143.1 Ų | 143.1 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | -57.7 | 109.6 | 176.8 | -109.6 | -95.3 | 0 | 0 | 0 | 111.2 | D496 | D496-F498 PolarHBondContact O-N 3.07Š| ||
| 499 | I | 30.5 | Very low | 26.9 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 59% | 0.585 | 79% | 0.785 | S | S | * | * | trans | -90.1 | 123.2 | 165.5 | -62.4 | 173.2 | 0 | 0 | 0 | 107 | Y497 E501 | Y497-I499 PolarHBondContact O-N 3.35Å; I499-E501 PolarHBondContact O-N 3.13Å | ||
| 500 | P | 27.3 | Very low | 26.7 | Very low | 108 Ų | 108 | 149.8 Ų | 149.8 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -69 | 113.3 | 176.6 | -18.9 | 32.3 | 0 | 0 | 0 | 111.3 | T502 | P500-T502 PolarHBondContact O-N 3.25Å; P500-T502 VanDerWaalsContact O-N 3.16Å | ||
| 501 | E | 30 | Very low | 26.6 | Very low | 193 Ų | 193 | 150.1 Ų | 150.1 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -72.9 | 105.3 | 172.7 | -68.6 | -163 | 146 | 0 | 0 | 110.7 | I499 G503 | I499-E501 PolarHBondContact O-N 3.13Å; E501-G503 PolarHBondContact O-N 2.64Å | ||
| 502 | T | 28.8 | Very low | 26.5 | Very low | 131 Ų | 131 | 147.6 Ų | 147.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -82.3 | 101.5 | 171.8 | 40.5 | 0 | 0 | 0 | 0 | 109.7 | P500 | P500-T502 PolarHBondContact O-N 3.25Å; P500-T502 VanDerWaalsContact O-N 3.16Å | ||
| 503 | G | 22.7 | Very low | 26.5 | Very low | 74 Ų | 74 | 145.3 Ų | 145.3 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | -70.1 | 138.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E501 | E501-G503 PolarHBondContact O-N 2.64Š| ||
| 504 | H | 28.7 | Very low | 26.3 | Very low | 184 Ų | 184 | 145.5 Ų | 145.5 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | trans | -126.5 | 126.8 | 164.7 | -94.3 | -75.8 | 0 | 0 | 0 | 110.8 | ||||
| 505 | Q | 22.8 | Very low | 26.1 | Very low | 184 Ų | 184 | 146.1 Ų | 146.1 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -77.3 | 141.2 | 173.4 | -63.8 | 174.6 | -28 | 0 | 0 | 111.2 | ||||
| 506 | F | 27.7 | Very low | 26 | Very low | 211 Ų | 211 | 150.4 Ų | 150.4 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | -150.3 | 157.7 | 147.5 | -97.1 | -68.9 | 0 | 0 | 0 | 110.7 | ||||
| 507 | S | 22.7 | Very low | 25.8 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -141 | 139.2 | -162.7 | 59.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 508 | G | 26.3 | Very low | 25.6 | Very low | 66 Ų | 66 | 153 Ų | 153 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | trans | 162.8 | 126 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 509 | R | 23 | Very low | 25.3 | Very low | 247 Ų | 247 | 147.9 Ų | 147.9 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | 49.7 | 129 | 73.4 | -78.9 | -171.2 | 173.5 | 178.2 | -1.7 | 112 | |||||
| 510 | E | 26.3 | Very low | 24.9 | Very low | 194 Ų | 194 | 149.2 Ų | 149.2 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | cis | -133.2 | -168.8 | 34 | -66 | -175.3 | 140.1 | 0 | 0 | 115.2 | ||||
| 511 | S | 22.8 | Very low | 24.7 | Very low | 110 Ų | 110 | 148.8 Ų | 148.8 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | trans | -140 | 144.7 | -168.4 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 512 | I | 26.6 | Very low | 24.5 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 90% | 0.903 | 83% | 0.827 | S | S | * | * | trans | -150.4 | 156.4 | 165.7 | -99.8 | 150.3 | 0 | 0 | 0 | 109.8 | ||||
| 513 | T | 23 | Very low | 24.2 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 71% | 0.712 | 83% | 0.829 | S | S | * | * | trans | -135.3 | 142.6 | -163.2 | 51.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 514 | T | 22.8 | Very low | 24.6 | Very low | 133 Ų | 133 | 147.2 Ų | 147.2 | 82% | 0.816 | 82% | 0.824 | S | S | * | * | trans | 49.1 | 126.4 | 143.3 | 58.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 515 | S | 24 | Very low | 24.4 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | 177.4 | 127 | 122.1 | 61.1 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 516 | E | 24.3 | Very low | 24.5 | Very low | 180 Ų | 180 | 149.6 Ų | 149.6 | 84% | 0.841 | 82% | 0.823 | S | S | * | * | trans | 53.1 | 109.8 | 135.5 | -58 | -170 | -177.9 | 0 | 0 | 126.3 | ||||
| 517 | S | 23.2 | Very low | 24.4 | Very low | 109 Ų | 109 | 149.8 Ų | 149.8 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | 41.4 | 120.4 | 109.1 | -52.3 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 518 | R | 27 | Very low | 24.4 | Very low | 249 Ų | 249 | 152.9 Ų | 152.9 | 94% | 0.94 | 82% | 0.821 | S | S | * | * | 179.5 | 113.5 | 125.8 | -104.4 | 173.2 | 175.8 | 176.1 | 0.8 | 118.8 | |||||
| 519 | A | 21.1 | Very low | 24.3 | Very low | 90 Ų | 90 | 158.9 Ų | 158.9 | 74% | 0.744 | 83% | 0.834 | S | S | * | * | 41.5 | 130.4 | 121.3 | 0 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 520 | V | 22.4 | Very low | 24.4 | Very low | 141 Ų | 141 | 155.2 Ų | 155.2 | 86% | 0.855 | 83% | 0.828 | S | S | * | * | trans | 96 | 99.1 | 135 | 172.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 521 | A | 22.2 | Very low | 24.6 | Very low | 99 Ų | 99 | 151.1 Ų | 151.1 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | 48.1 | 132 | 129.4 | 0 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 522 | A | 25.3 | Very low | 24.7 | Very low | 101 Ų | 101 | 153 Ų | 153 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | -162.9 | 147.3 | 137.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 523 | I | 23.9 | Very low | 24.6 | Very low | 163 Ų | 163 | 155.6 Ų | 155.6 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | trans | -146.9 | 133.1 | 176.5 | -58.7 | 170.6 | 0 | 0 | 0 | 105.4 | ||||
| 524 | P | 31 | Very low | 24.7 | Very low | 102 Ų | 102 | 161 Ų | 161 | 66% | 0.662 | 83% | 0.83 | S | S | * | * | -168.6 | 175.1 | 82.2 | 45.9 | -23.1 | 0 | 0 | 0 | 122.6 | |||||
| 525 | R | 24.9 | Very low | 24.8 | Very low | 218 Ų | 218 | 163.9 Ų | 163.9 | 82% | 0.823 | 83% | 0.831 | S | S | * | * | trans | 85.6 | 101.1 | 140.6 | -84.2 | 159.8 | -168 | -176.7 | 3.4 | 123 | ||||
| 526 | K | 23.8 | Very low | 24.9 | Very low | 199 Ų | 199 | 163.1 Ų | 163.1 | 87% | 0.865 | 83% | 0.826 | S | S | * | * | 50.9 | 130.8 | 116.1 | -65.9 | -177.4 | 179.7 | 179.3 | 0 | 121.2 | |||||
| 527 | K | 26 | Very low | 25 | Very low | 215 Ų | 215 | 160 Ų | 160 | 94% | 0.935 | 82% | 0.824 | S | S | * | * | -142.2 | 154.1 | 126.9 | -111 | 175.6 | -175.7 | 176.3 | 0 | 111.5 | |||||
| 528 | K | 22.3 | Very low | 25.1 | Very low | 187 Ų | 187 | 159.5 Ų | 159.5 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | trans | -120.9 | 149.7 | 172.3 | -87.8 | -175.7 | 169.7 | -175.1 | 0 | 108.6 | ||||
| 529 | M | 25 | Very low | 25 | Very low | 192 Ų | 192 | 156.3 Ų | 156.3 | 95% | 0.946 | 81% | 0.814 | S | S | * | * | trans | -134.1 | 169.5 | 143.3 | -78.7 | -161 | 81.8 | 0 | 0 | 109.5 | ||||
| 530 | Q | 24.6 | Very low | 25.2 | Very low | 171 Ų | 171 | 160 Ų | 160 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -138.9 | 176.1 | -164.7 | -110.7 | -153.1 | -18.9 | 0 | 0 | 111.8 | ||||
| 531 | P | 31.3 | Very low | 25.5 | Very low | 108 Ų | 108 | 160.5 Ų | 160.5 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -99.5 | 178.5 | -147.3 | 40.5 | -40.6 | 0 | 0 | 0 | 115.2 | ||||
| 532 | V | 25.2 | Very low | 25.6 | Very low | 150 Ų | 150 | 162 Ų | 162 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -107.4 | 138.2 | 166.4 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 533 | R | 22.8 | Very low | 25.8 | Very low | 229 Ų | 229 | 166.7 Ų | 166.7 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -133 | 136.3 | 174.8 | -102.2 | -177.5 | 166.3 | -178.9 | -3.8 | 109.3 | ||||
| 534 | R | 25.6 | Very low | 25.9 | Very low | 231 Ų | 231 | 165.3 Ų | 165.3 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -177.9 | 126.2 | 148.1 | -97.3 | 146.4 | -165.9 | -152.2 | 3.2 | 107.6 | ||||
| 535 | K | 25.8 | Very low | 25.9 | Very low | 192 Ų | 192 | 168 Ų | 168 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | 82.3 | 144.5 | 66.8 | -82.7 | -162.2 | 178.2 | -167.5 | 0 | 113.1 | |||||
| 536 | S | 25 | Very low | 25.8 | Very low | 99 Ų | 99 | 162.9 Ų | 162.9 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | cis | 175.1 | 123.4 | -28 | 46.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 537 | S | 27.3 | Very low | 26.2 | Very low | 115 Ų | 115 | 160.3 Ų | 160.3 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -176.8 | 161.4 | 164.8 | 47.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 538 | S | 23.6 | Very low | 26.3 | Very low | 98 Ų | 98 | 155.5 Ų | 155.5 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | cis | 144 | 143.5 | -39.7 | 66.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 539 | K | 26.9 | Very low | 26.6 | Very low | 182 Ų | 182 | 153.8 Ų | 153.8 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 79.2 | 143.4 | 172.3 | -58.5 | -178.1 | 172 | -174.6 | 0 | 115.6 | ||||
| 540 | F | 24.5 | Very low | 26.8 | Very low | 167 Ų | 167 | 150.2 Ų | 150.2 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | cis | -163.3 | 170.9 | -7.7 | -122.1 | -42.8 | 0 | 0 | 0 | 112.7 | ||||
| 541 | M | 27.8 | Very low | 26.9 | Very low | 152 Ų | 152 | 149 Ų | 149 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | 97 | 87.6 | 155.6 | -56.3 | -132 | 70 | 0 | 0 | 121.5 | ||||
| 542 | N | 24.8 | Very low | 26.8 | Very low | 132 Ų | 132 | 151.7 Ų | 151.7 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | 34 | 126.6 | 125.3 | -51.8 | 14.9 | 0 | 0 | 0 | 121.8 | |||||
| 543 | K | 30.1 | Very low | 27 | Very low | 198 Ų | 198 | 153.9 Ų | 153.9 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | -160.8 | 162.9 | 99.4 | -110.7 | 179.7 | 179.4 | -176.3 | 0 | 113.1 | |||||
| 544 | N | 25.9 | Very low | 27.3 | Very low | 134 Ų | 134 | 149.7 Ų | 149.7 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | trans | -57.3 | 167.2 | -178.2 | -35.9 | -0.1 | 0 | 0 | 0 | 112.7 | ||||
| 545 | D | 30.4 | Very low | 27.4 | Very low | 158 Ų | 158 | 146 Ų | 146 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | cis | -137.5 | 174.1 | 31 | -75.7 | -57.5 | 0 | 0 | 0 | 114.7 | ||||
| 546 | S | 23.9 | Very low | 27.6 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | -135.5 | 135.3 | -174.2 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 547 | V | 30.8 | Very low | 27.8 | Very low | 145 Ų | 145 | 146.2 Ų | 146.2 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | trans | -138.6 | 141.8 | 164.8 | -180 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 548 | D | 28.2 | Very low | 27.8 | Very low | 114 Ų | 114 | 149.8 Ų | 149.8 | 61% | 0.61 | 76% | 0.763 | S | S | * | * | trans | -85.5 | 121.8 | -171.8 | -63.5 | -61.5 | 0 | 0 | 0 | 114.1 | T550 | D548-T550 VanDerWaalsContact C-N 3.27Å; D548-T550 PolarHBondContact O-N 3.3Å | ||
| 549 | D | 28.1 | Very low | 28.1 | Very low | 150 Ų | 150 | 152.5 Ų | 152.5 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -89.3 | 19.6 | 165.6 | -88 | -34.6 | 0 | 0 | 0 | 113.2 | ||
| 550 | T | 29.1 | Very low | 28.2 | Very low | 118 Ų | 118 | 150.4 Ų | 150.4 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -98.2 | 13.3 | 175.6 | 41.5 | 0 | 0 | 0 | 0 | 113.8 | D548 | D548-T550 VanDerWaalsContact C-N 3.27Å; D548-T550 PolarHBondContact O-N 3.3Å |
| 551 | K | 27.3 | Very low | 28.5 | Very low | 146 Ų | 146 | 148.1 Ų | 148.1 | 64% | 0.635 | 76% | 0.764 | S | S | * | * | trans | -113.5 | 2.7 | -175.8 | -82.2 | -166.8 | 168.8 | -171.4 | 0 | 117.3 | F553 | K551-F553 PolarHBondContact O-N 3.08Š| ||
| 552 | Q | 29.6 | Very low | 28.8 | Very low | 163 Ų | 163 | 149.9 Ų | 149.9 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 17.7 | -178.8 | -64.6 | -167.6 | 7.1 | 0 | 0 | 115.3 | ||
| 553 | F | 29.5 | Very low | 29.2 | Very low | 197 Ų | 197 | 150.3 Ų | 150.3 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129 | 1.2 | -179.8 | -94.6 | -82.7 | 0 | 0 | 0 | 115.8 | K551 | K551-F553 PolarHBondContact O-N 3.08Š|
| 554 | E | 28.3 | Very low | 29.4 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 65% | 0.654 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -99.2 | -28.9 | 179 | -63.7 | -167 | 127 | 0 | 0 | 113.6 | M556 N557 | E554-M556 PolarHBondContact O-N 3.19Å; E554-N557 PolarHBondContact O-N 3.1Å; E554-N557 PolarHBondContact O-ND2 3.19Å; E554-N557 VanDerWaalsContact O-ND2 3.12Å |
| 555 | D | 28 | Very low | 30.2 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 8.7 | -176 | -70.3 | -13.2 | 0 | 0 | 0 | 115.4 | ||
| 556 | M | 30.1 | Very low | 31 | Very low | 162 Ų | 162 | 140 Ų | 140 | 80% | 0.798 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 9.9 | 174.2 | -87.9 | -61.8 | -50.7 | 0 | 0 | 114 | E554 | E554-M556 PolarHBondContact O-N 3.19Š|
| 557 | N | 29.8 | Very low | 31.6 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -93.7 | -7.9 | 179.3 | -72.8 | -65.3 | 0 | 0 | 0 | 115.1 | E554 | E554-N557 PolarHBondContact O-N 3.1Å; E554-N557 PolarHBondContact O-ND2 3.19Å; E554-N557 VanDerWaalsContact O-ND2 3.12Å |
| 558 | E | 28 | Very low | 32.1 | Very low | 190 Ų | 190 | 134.1 Ų | 134.1 | 89% | 0.888 | 69% | 0.691 | S | S | * | * | trans | -104.6 | 53.6 | -177.6 | -65.6 | -152.8 | 135.9 | 0 | 0 | 114.5 | ||||
| 559 | M | 28.1 | Very low | 32.8 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 76% | 0.764 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -133.3 | 99.1 | 162.2 | -78.9 | -156.2 | 174.3 | 0 | 0 | 113.6 | T561 | M559-T561 PolarHBondContact O-N 2.84Š|
| 560 | N | 30 | Very low | 33.7 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 74% | 0.738 | 66% | 0.663 | S | S | * | * | trans | 26 | 83.8 | 158.7 | -79.6 | -47.5 | 0 | 0 | 0 | 118.1 | K562 | N560-K562 PolarHBondContact O-N 3.42Š| ||
| 561 | T | 31.3 | Very low | 34.3 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 72% | 0.724 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 46.2 | 171.3 | 48.3 | 0 | 0 | 0 | 0 | 114.2 | M559 | M559-T561 PolarHBondContact O-N 2.84Š|
| 562 | K | 33.2 | Very low | 35.2 | Very low | 189 Ų | 189 | 127.4 Ų | 127.4 | 82% | 0.822 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.1 | 2.1 | -175.2 | -78.6 | -170.1 | 174.7 | 179.9 | 0 | 116.3 | N560 | N560-K562 PolarHBondContact O-N 3.42Š|
| 563 | L | 33.3 | Very low | 36.4 | Very low | 141 Ų | 141 | 123.8 Ų | 123.8 | 74% | 0.738 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -133.7 | 13.2 | -174.5 | -93.8 | 162.4 | 0 | 0 | 0 | 115.2 | ||
| 564 | L | 34.9 | Very low | 37.2 | Very low | 89 Ų | 89 | 117.7 Ų | 117.7 | 47% | 0.466 | 62% | 0.615 | S | S | . | * | trans | -97.8 | 143.7 | 175.7 | -73.2 | 168.2 | 0 | 0 | 0 | 111.8 | I568 | L564-I568 HydrophobicContact CD2-CG2 4.35Š| ||
| 565 | S | 41.3 | Very low | 38 | Very low | 62 Ų | 62 | 118.9 Ų | 118.9 | 43% | 0.434 | 62% | 0.615 | S | S | . | * | trans | -75.2 | 147.5 | 178.1 | 67.7 | 0 | 0 | 0 | 0 | 112 | P567 I568 Q569 | S565-P567 VanDerWaalsContact C-CD 3.4Å; S565-P567 VanDerWaalsContact C-N 3.34Å; S565-I568 PolarHBondContact O-N 3.35Å; S565-I568 WeakPolarHBondContact OG-CD1 3.37Å; S565-I568 WeakPolarHBondContact OG-CG1 3.49Å; S565-Q569 PolarHBondContact O-N 3.32Å; S565-Q569 VanDerWaalsContact O-N 3.16Å | ||
| 566 | V | 47.2 | Very low | 39.2 | Very low | 123 Ų | 123 | 114.4 Ų | 114.4 | 75% | 0.745 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -51.9 | -40.2 | -175.4 | -177 | 0 | 0 | 0 | 0 | 114 | I568 Q569 A570 | V566-I568 PolarHBondContact O-N 2.96Å; V566-Q569 PolarHBondContact O-N 3.34Å; V566-A570 PolarHBondContact O-N 3.08Å |
| 567 | P | 36.8 | Very low | 40.2 | Very low | 88 Ų | 88 | 112.5 Ų | 112.5 | 57% | 0.571 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63 | -37.5 | 177 | -23.2 | 35.3 | 0 | 0 | 0 | 113.6 | S565 A570 Q571 | S565-P567 VanDerWaalsContact C-CD 3.4Å; S565-P567 VanDerWaalsContact C-N 3.34Å; P567-A570 PolarHBondContact O-N 2.81Å; P567-Q571 PolarHBondContact O-N 3.21Å |
| 568 | I | 42 | Very low | 41 | Very low | 46 Ų | 46 | 110.2 Ų | 110.2 | 24% | 0.236 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -70.7 | -42.5 | 179.9 | -59.3 | 175.6 | 0 | 0 | 0 | 109.7 | L564 S565 V566 A570 Q571 F572 | L564-I568 HydrophobicContact CD2-CG2 4.35Å; S565-I568 PolarHBondContact O-N 3.35Å; S565-I568 WeakPolarHBondContact OG-CD1 3.37Å; S565-I568 WeakPolarHBondContact OG-CG1 3.49Å; V566-I568 PolarHBondContact O-N 2.96Å; I568-A570 PolarHBondContact O-N 2.61Å; I568-Q571 PolarHBondContact O-N 3.26Å; I568-F572 WeakPolarHBondContact O-CB 3.31Å; I568-F572 PolarHBondContact O-N 2.91Å |
| 569 | Q | 43.7 | Very low | 41.9 | Very low | 73 Ų | 73 | 106 Ų | 106 | 34% | 0.341 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -57.4 | -40 | 173.1 | -160.1 | 79.1 | 43.4 | 0 | 0 | 111.4 | S565 V566 N573 | S565-Q569 PolarHBondContact O-N 3.32Å; S565-Q569 VanDerWaalsContact O-N 3.16Å; V566-Q569 PolarHBondContact O-N 3.34Å; Q569-N573 WeakPolarHBondContact O-CB 2.98Å; Q569-N573 PolarHBondContact O-N 2.94Å; Q569-N573 PolarHBondContact O-ND2 3.4Å |
| 570 | A | 45.4 | Very low | 43.1 | Very low | 57 Ų | 57 | 103.5 Ų | 103.5 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.4 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | V566 P567 I568 L574 | V566-A570 PolarHBondContact O-N 3.08Å; P567-A570 PolarHBondContact O-N 2.81Å; I568-A570 PolarHBondContact O-N 2.61Å; A570-L574 WeakPolarHBondContact O-CB 3.08Å; A570-L574 PolarHBondContact O-N 3.46Å |
| 571 | Q | 43.4 | Very low | 43.8 | Very low | 111 Ų | 111 | 101.7 Ų | 101.7 | 52% | 0.519 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 173.9 | -77 | -173.8 | -9.5 | 0 | 0 | 112.2 | P567 I568 L574 Y575 | P567-Q571 PolarHBondContact O-N 3.21Å; I568-Q571 PolarHBondContact O-N 3.26Å; Q571-L574 PolarHBondContact O-N 3.02Å; Q571-Y575 PolarHBondContact O-N 3.21Å |
| 572 | F | 45.4 | Very low | 44.5 | Very low | 145 Ų | 145 | 101.7 Ų | 101.7 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.3 | -45 | 179 | -142.1 | -84.6 | 0 | 0 | 0 | 111.2 | I568 L574 Y575 T576 | I568-F572 WeakPolarHBondContact O-CB 3.31Å; I568-F572 PolarHBondContact O-N 2.91Å; F572-L574 VanDerWaalsContact C-N 3.3Å; F572-L574 PolarHBondContact O-N 3.46Å; F572-Y575 PolarHBondContact O-N 3.47Å; F572-T576 PolarHBondContact O-N 3Å; F572-T576 PolarHBondContact O-OG1 2.69Å; F572-T576 VanDerWaalsContact O-OG1 3.11Å |
| 573 | N | 53.9 | Low | 45.1 | Very low | 87 Ų | 87 | 99.7 Ų | 99.7 | 47% | 0.465 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -38.2 | 173.8 | -74.4 | -15.4 | 0 | 0 | 0 | 112.4 | Q569 Q577 | Q569-N573 WeakPolarHBondContact O-CB 2.98Å; Q569-N573 PolarHBondContact O-N 2.94Å; Q569-N573 PolarHBondContact O-ND2 3.4Å; N573-Q577 WeakPolarHBondContact O-CB 3.28Å; N573-Q577 WeakPolarHBondContact O-CG 3.41Å; N573-Q577 PolarHBondContact O-N 2.99Å |
| 574 | L | 46.4 | Very low | 45.6 | Very low | 69 Ų | 69 | 100.3 Ų | 100.3 | 36% | 0.361 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.2 | -44 | 176 | -172 | 72.5 | 0 | 0 | 0 | 111.8 | A570 Q571 F572 Q577 L578 | A570-L574 WeakPolarHBondContact O-CB 3.08Å; A570-L574 PolarHBondContact O-N 3.46Å; Q571-L574 PolarHBondContact O-N 3.02Å; F572-L574 VanDerWaalsContact C-N 3.3Å; F572-L574 PolarHBondContact O-N 3.46Å; L574-Q577 PolarHBondContact O-N 3.21Å; L574-L578 HydrophobicContact CG-CD1 4.2Å; L574-L578 WeakPolarHBondContact O-CG 3.12Å; L574-L578 PolarHBondContact O-N 3.28Å |
| 575 | Y | 46.1 | Very low | 45.9 | Very low | 166 Ų | 166 | 101.6 Ų | 101.6 | 65% | 0.651 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.2 | -45.1 | 175 | -102.8 | -82 | 0 | 0 | 0 | 111.9 | Q571 F572 Q577 L578 L579 | Q571-Y575 PolarHBondContact O-N 3.21Å; F572-Y575 PolarHBondContact O-N 3.47Å; Y575-Q577 VanDerWaalsContact C-N 3.34Å; Y575-Q577 PolarHBondContact O-N 3.29Å; Y575-L578 PolarHBondContact O-N 3.38Å; Y575-L579 WeakPolarHBondContact O-CB 3.42Å; Y575-L579 WeakPolarHBondContact O-CG 3.35Å; Y575-L579 PolarHBondContact O-N 2.82Å |
| 576 | T | 53 | Low | 46 | Very low | 58 Ų | 58 | 104.4 Ų | 104.4 | 36% | 0.356 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 175.7 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | F572 Q580 | F572-T576 PolarHBondContact O-N 3Å; F572-T576 PolarHBondContact O-OG1 2.69Å; F572-T576 VanDerWaalsContact O-OG1 3.11Å; T576-Q580 WeakPolarHBondContact O-CB 3.44Å; T576-Q580 VanDerWaalsContact O-CG 3.31Å; T576-Q580 WeakPolarHBondContact O-CG 3.2Å; T576-Q580 PolarHBondContact O-N 3.39Å |
| 577 | Q | 51.3 | Low | 45.6 | Very low | 122 Ų | 122 | 103.9 Ų | 103.9 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.6 | -44 | 174.2 | -78.3 | -179.5 | -4.9 | 0 | 0 | 112.4 | N573 L574 Y575 Q580 Q581 | N573-Q577 WeakPolarHBondContact O-CB 3.28Å; N573-Q577 WeakPolarHBondContact O-CG 3.41Å; N573-Q577 PolarHBondContact O-N 2.99Å; L574-Q577 PolarHBondContact O-N 3.21Å; Y575-Q577 VanDerWaalsContact C-N 3.34Å; Y575-Q577 PolarHBondContact O-N 3.29Å; Q577-Q580 PolarHBondContact O-N 2.62Å; Q577-Q581 WeakPolarHBondContact O-CB 3.24Å; Q577-Q581 PolarHBondContact O-N 3.41Å |
| 578 | L | 46 | Very low | 45.6 | Very low | 87 Ų | 87 | 109.3 Ų | 109.3 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 177.6 | -72.7 | 168.1 | 0 | 0 | 0 | 111.9 | L574 Y575 Q581 Q582 | L574-L578 HydrophobicContact CG-CD1 4.2Å; L574-L578 WeakPolarHBondContact O-CG 3.12Å; L574-L578 PolarHBondContact O-N 3.28Å; Y575-L578 PolarHBondContact O-N 3.38Å; L578-Q581 WeakPolarHBondContact O-CB 3.16Å; L578-Q581 PolarHBondContact O-N 2.89Å; L578-Q581 VanDerWaalsContact O-N 3.09Å; L578-Q582 PolarHBondContact O-N 3.31Å |
| 579 | L | 46.7 | Very low | 45.2 | Very low | 102 Ų | 102 | 113.8 Ų | 113.8 | 53% | 0.534 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 173.6 | -78.8 | 163.2 | 0 | 0 | 0 | 111.7 | Y575 Q581 Q582 Y583 | Y575-L579 WeakPolarHBondContact O-CB 3.42Å; Y575-L579 WeakPolarHBondContact O-CG 3.35Å; Y575-L579 PolarHBondContact O-N 2.82Å; L579-Q581 PolarHBondContact O-N 3.02Å; L579-Q582 PolarHBondContact O-N 3.08Å; L579-Y583 WeakPolarHBondContact O-CB 3.41Å; L579-Y583 PolarHBondContact O-N 3.38Å |
| 580 | Q | 53.6 | Low | 44.6 | Very low | 103 Ų | 103 | 118.7 Ų | 118.7 | 48% | 0.481 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.9 | -21.7 | 173.1 | -75.1 | -176.9 | 6.6 | 0 | 0 | 113.7 | T576 Q577 R584 | T576-Q580 WeakPolarHBondContact O-CB 3.44Å; T576-Q580 VanDerWaalsContact O-CG 3.31Å; T576-Q580 WeakPolarHBondContact O-CG 3.2Å; T576-Q580 PolarHBondContact O-N 3.39Å; Q577-Q580 PolarHBondContact O-N 2.62Å; Q580-R584 WeakPolarHBondContact O-CB 3.31Å; Q580-R584 WeakPolarHBondContact O-CG 3.24Å; Q580-R584 PolarHBondContact O-N 3.17Å; Q580-R584 PolarHBondContact O-NE 2.89Å; Q580-R584 VanDerWaalsContact O-NE 3.13Å |
| 581 | Q | 45.9 | Very low | 43.8 | Very low | 100 Ų | 100 | 122.5 Ų | 122.5 | 47% | 0.467 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -82.8 | -41.5 | 175.9 | -158.4 | 170 | 13.9 | 0 | 0 | 110.9 | Q577 L578 L579 R584 Q585 | Q577-Q581 WeakPolarHBondContact O-CB 3.24Å; Q577-Q581 PolarHBondContact O-N 3.41Å; L578-Q581 WeakPolarHBondContact O-CB 3.16Å; L578-Q581 PolarHBondContact O-N 2.89Å; L578-Q581 VanDerWaalsContact O-N 3.09Å; L579-Q581 PolarHBondContact O-N 3.02Å; Q581-R584 PolarHBondContact O-N 3.12Å; Q581-Q585 WeakPolarHBondContact O-CG 3.46Å; Q581-Q585 PolarHBondContact O-N 3.33Å |
| 582 | Q | 44.5 | Very low | 43.2 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 55% | 0.547 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.4 | -47.3 | 168.9 | -89.5 | -174.7 | -41 | 0 | 0 | 111.9 | L578 L579 R584 Q585 Q586 | L578-Q582 PolarHBondContact O-N 3.31Å; L579-Q582 PolarHBondContact O-N 3.08Å; Q582-R584 VanDerWaalsContact C-N 3.31Å; Q582-R584 PolarHBondContact O-N 2.77Å; Q582-Q585 WeakPolarHBondContact O-CB 3.41Å; Q582-Q585 PolarHBondContact O-N 3.03Å; Q582-Q586 PolarHBondContact O-N 3.2Å |
| 583 | Y | 46.4 | Very low | 42.5 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 58% | 0.576 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.6 | -39.1 | 179.7 | -146.8 | -99.1 | 0 | 0 | 0 | 111.7 | L579 Q586 Q587 | L579-Y583 WeakPolarHBondContact O-CB 3.41Å; L579-Y583 PolarHBondContact O-N 3.38Å; Y583-Q586 PolarHBondContact O-N 3.3Å; Y583-Q587 HydrophobicContact CD1-CG 4.38Å; Y583-Q587 WeakPolarHBondContact O-CB 3.2Å; Y583-Q587 WeakPolarHBondContact O-CG 3.24Å; Y583-Q587 PolarHBondContact O-N 3.45Å |
| 584 | R | 44.2 | Very low | 41.4 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 58% | 0.581 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.1 | -24.1 | 172.9 | -80.9 | -173.8 | -81.2 | -177.4 | -10.9 | 114.1 | Q580 Q581 Q582 R588 | Q580-R584 WeakPolarHBondContact O-CB 3.31Å; Q580-R584 WeakPolarHBondContact O-CG 3.24Å; Q580-R584 PolarHBondContact O-N 3.17Å; Q580-R584 PolarHBondContact O-NE 2.89Å; Q580-R584 VanDerWaalsContact O-NE 3.13Å; Q581-R584 PolarHBondContact O-N 3.12Å; Q582-R584 VanDerWaalsContact C-N 3.31Å; Q582-R584 PolarHBondContact O-N 2.77Å; R584-R588 WeakPolarHBondContact O-CB 3.36Å; R584-R588 WeakPolarHBondContact O-CG 3.39Å; R584-R588 PolarHBondContact O-N 3.31Å |
| 585 | Q | 41.4 | Very low | 40.5 | Very low | 116 Ų | 116 | 129 Ų | 129 | 54% | 0.542 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -74.8 | -45.9 | 170 | -77.9 | 177.6 | -13.2 | 0 | 0 | 111 | Q581 Q582 Q587 R588 I589 | Q581-Q585 WeakPolarHBondContact O-CG 3.46Å; Q581-Q585 PolarHBondContact O-N 3.33Å; Q582-Q585 WeakPolarHBondContact O-CB 3.41Å; Q582-Q585 PolarHBondContact O-N 3.03Å; Q585-Q587 PolarHBondContact O-N 2.99Å; Q585-R588 PolarHBondContact O-N 2.57Å; Q585-I589 WeakPolarHBondContact O-CG1 3.32Å; Q585-I589 PolarHBondContact O-N 2.68Å |
| 586 | Q | 42.1 | Very low | 39.8 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 57% | 0.57 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -59.2 | -48.5 | 176.1 | -72.8 | 175.7 | -29.7 | 0 | 0 | 111.5 | Q582 Y583 R588 I589 | Q582-Q586 PolarHBondContact O-N 3.2Å; Y583-Q586 PolarHBondContact O-N 3.3Å; Q586-R588 PolarHBondContact O-N 2.8Å; Q586-R588 VanDerWaalsContact O-N 3.15Å; Q586-I589 PolarHBondContact O-N 3.49Å |
| 587 | Q | 39.8 | Very low | 38.5 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 52% | 0.519 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -63.8 | -17.9 | 175.2 | -73 | -173.5 | -22.3 | 0 | 0 | 114.5 | Y583 Q585 | Y583-Q587 HydrophobicContact CD1-CG 4.38Å; Y583-Q587 WeakPolarHBondContact O-CB 3.2Å; Y583-Q587 WeakPolarHBondContact O-CG 3.24Å; Y583-Q587 PolarHBondContact O-N 3.45Å; Q585-Q587 PolarHBondContact O-N 2.99Å |
| 588 | R | 35.8 | Very low | 37.5 | Very low | 203 Ų | 203 | 131.7 Ų | 131.7 | 77% | 0.766 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -87 | -17.9 | 172.6 | -84.8 | -176 | 168.2 | -164.7 | -2.9 | 113.8 | R584 Q585 Q586 | R584-R588 WeakPolarHBondContact O-CB 3.36Å; R584-R588 WeakPolarHBondContact O-CG 3.39Å; R584-R588 PolarHBondContact O-N 3.31Å; Q585-R588 PolarHBondContact O-N 2.57Å; Q586-R588 PolarHBondContact O-N 2.8Å; Q586-R588 VanDerWaalsContact O-N 3.15Å |
| 589 | I | 34.7 | Very low | 36.5 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 71% | 0.713 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -83.2 | -28.6 | -178.9 | -71.7 | 165.3 | 0 | 0 | 0 | 111.6 | Q585 Q586 L591 | Q585-I589 WeakPolarHBondContact O-CG1 3.32Å; Q585-I589 PolarHBondContact O-N 2.68Å; Q586-I589 PolarHBondContact O-N 3.49Å; I589-L591 VanDerWaalsContact C-N 3.31Å; I589-L591 PolarHBondContact O-N 3.32Å |
| 590 | E | 30.6 | Very low | 35.6 | Very low | 176 Ų | 176 | 137 Ų | 137 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -1.5 | 179.1 | -61.1 | -164.6 | 132.1 | 0 | 0 | 114.9 | ||
| 591 | L | 28.8 | Very low | 34.2 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 72% | 0.717 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | 19.5 | -165.8 | -93.2 | 170.3 | 0 | 0 | 0 | 116.8 | I589 | I589-L591 VanDerWaalsContact C-N 3.31Å; I589-L591 PolarHBondContact O-N 3.32Å |
| 592 | F | 30.9 | Very low | 33.2 | Very low | 197 Ų | 197 | 140.3 Ų | 140.3 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | trans | -131.5 | 111.7 | 170.5 | -86.5 | -78.2 | 0 | 0 | 0 | 114.7 | ||||
| 593 | N | 29.8 | Very low | 32.3 | Very low | 162 Ų | 162 | 142.6 Ų | 142.6 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | trans | -122.8 | 127.7 | 168.8 | -147.8 | -27 | 0 | 0 | 0 | 107 | ||||
| 594 | P | 31.8 | Very low | 31.3 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | trans | -93.8 | 146.1 | -148.8 | 33.8 | -37 | 0 | 0 | 0 | 116.6 | ||||
| 595 | G | 27.2 | Very low | 30.4 | Very low | 66 Ų | 66 | 141.5 Ų | 141.5 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | trans | 178 | 110 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 596 | S | 31.5 | Very low | 29.7 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 95% | 0.951 | 77% | 0.767 | S | S | * | * | trans | 61.9 | 155.3 | 169.5 | 63.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 597 | G | 26 | Very low | 29.1 | Very low | 66 Ų | 66 | 139.4 Ų | 139.4 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | cis | 164.6 | 131.9 | -13 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 598 | F | 29.2 | Very low | 28.5 | Very low | 201 Ų | 201 | 145.1 Ų | 145.1 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | 72.9 | 110.6 | 168.3 | -70.5 | -82.9 | 0 | 0 | 0 | 121.9 | ||||
| 599 | L | 26.3 | Very low | 28.4 | Very low | 145 Ų | 145 | 143.9 Ų | 143.9 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | trans | 27.4 | 121.7 | 134 | -61.5 | 174 | 0 | 0 | 0 | 122.4 | ||||
| 600 | N | 26.9 | Very low | 27.9 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | 176.9 | 171.9 | 98.8 | -97.3 | -24 | 0 | 0 | 0 | 114.3 | |||||
| 601 | H | 25.2 | Very low | 27.6 | Very low | 199 Ų | 199 | 135.8 Ų | 135.8 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -79.4 | 158.4 | -177.9 | -66.2 | -19.7 | 0 | 0 | 0 | 115.4 | ||||
| 602 | G | 24.9 | Very low | 27.5 | Very low | 74 Ų | 74 | 138.1 Ų | 138.1 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | 163.4 | 68.4 | 159 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 603 | M | 25.7 | Very low | 27.3 | Very low | 165 Ų | 165 | 131.3 Ų | 131.3 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | 41.8 | 132.7 | 134.9 | -84 | -96.1 | 76.5 | 0 | 0 | 124.7 | ||||
| 604 | I | 24.6 | Very low | 27.1 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | trans | 65.3 | 150.8 | 159.7 | -3.9 | -173.9 | 0 | 0 | 0 | 115.2 | ||||
| 605 | V | 25 | Very low | 27 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | cis | -145.6 | 161.4 | 14.4 | -157.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 606 | G | 26.3 | Very low | 26.9 | Very low | 62 Ų | 62 | 134.8 Ų | 134.8 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | trans | -135.4 | 173.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 607 | P | 30 | Very low | 26.7 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -115.9 | 151.9 | 171.6 | 37.1 | -26.9 | 0 | 0 | 0 | 114.2 | ||||
| 608 | Y | 27.1 | Very low | 26.7 | Very low | 230 Ų | 230 | 141.6 Ų | 141.6 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -98.5 | 142.3 | -176.3 | -94.8 | -99.8 | 0 | 0 | 0 | 114.2 | ||||
| 609 | L | 33.4 | Very low | 26.7 | Very low | 178 Ų | 178 | 137.5 Ų | 137.5 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | trans | -148.3 | 150.3 | 140.5 | -74.1 | -176.3 | 0 | 0 | 0 | 108.5 | ||||
| 610 | G | 24.6 | Very low | 26.6 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | cis | 178 | 1.8 | -5.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 611 | G | 24.8 | Very low | 26.7 | Very low | 69 Ų | 69 | 138.9 Ų | 138.9 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -159.2 | 114.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 612 | I | 26.7 | Very low | 26.7 | Very low | 185 Ų | 185 | 134 Ų | 134 | 95% | 0.949 | 79% | 0.787 | S | S | * | * | trans | 47.1 | 108.6 | 144.8 | -49.2 | 173.3 | 0 | 0 | 0 | 118.6 | ||||
| 613 | G | 26 | Very low | 26.8 | Very low | 54 Ų | 54 | 136.7 Ų | 136.7 | 56% | 0.557 | 79% | 0.788 | S | S | * | * | trans | 145.6 | 116.3 | 159 | 0 | 0 | 0 | 0 | 0 | 113.5 | T615 | G613-T615 PolarHBondContact O-N 3.03Š| ||
| 614 | P | 27.2 | Very low | 26.7 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 92% | 0.922 | 79% | 0.787 | S | S | * | * | trans | -82.4 | 84.4 | -179 | 32.9 | -34 | 0 | 0 | 0 | 111.5 | ||||
| 615 | T | 29 | Very low | 26.8 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -86.5 | 137.3 | 165.7 | 41.6 | 0 | 0 | 0 | 0 | 111 | G613 Y617 | G613-T615 PolarHBondContact O-N 3.03Å; T615-Y617 PolarHBondContact O-N 2.87Å | ||
| 616 | M | 25.7 | Very low | 26.9 | Very low | 168 Ų | 168 | 132.6 Ų | 132.6 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | -63.7 | 113 | -179.1 | -72.5 | -87.3 | -74.4 | 0 | 0 | 111.4 | ||||
| 617 | Y | 25.8 | Very low | 26.9 | Very low | 213 Ų | 213 | 135.3 Ų | 135.3 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -91.1 | 91.6 | 164.6 | -91.1 | -95 | 0 | 0 | 0 | 109.9 | T615 | T615-Y617 PolarHBondContact O-N 2.87Š| ||
| 618 | E | 26.7 | Very low | 26.6 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 62% | 0.621 | 79% | 0.794 | S | S | * | * | trans | -77.7 | 123.4 | 150.8 | -72.1 | -172.7 | 142.7 | 0 | 0 | 107.6 | I620 K1252 | E618-I620 PolarHBondContact O-N 3.23Å; E618-K1252 IonicContact OE2-NZ 2.71Å | ||
| 619 | P | 28.6 | Very low | 26.5 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | -71.8 | 126.7 | 179.7 | 28.2 | -33.2 | 0 | 0 | 0 | 111 | E621 | P619-E621 PolarHBondContact O-N 2.91Š| ||
| 620 | I | 25.2 | Very low | 26.4 | Very low | 155 Ų | 155 | 125.4 Ų | 125.4 | 80% | 0.795 | 77% | 0.771 | S | S | * | * | trans | -82.3 | 92.9 | 172.3 | -57.3 | 171.1 | 0 | 0 | 0 | 108.6 | E618 | E618-I620 PolarHBondContact O-N 3.23Š| ||
| 621 | E | 29 | Very low | 26.4 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -105.8 | 91 | 165 | -69.3 | -152.6 | 146.9 | 0 | 0 | 111 | P619 | P619-E621 PolarHBondContact O-N 2.91Š| ||
| 622 | A | 24 | Very low | 26.4 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | trans | -86.8 | 107 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 623 | T | 27.7 | Very low | 26.3 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -119.8 | 149.8 | 164.9 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 624 | S | 24.4 | Very low | 26.3 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -115.9 | 122.6 | -158.5 | 55.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 625 | S | 25.2 | Very low | 26.2 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | -166.5 | 119.5 | 155.9 | -80.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 626 | P | 28.4 | Very low | 26.1 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 84% | 0.844 | 74% | 0.742 | S | S | * | * | trans | -102.6 | 103.3 | 178.7 | 34.5 | -27.9 | 0 | 0 | 0 | 112.6 | ||||
| 627 | V | 24.6 | Very low | 26.3 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | trans | -146.7 | 99 | 179.3 | -172.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 628 | I | 24.9 | Very low | 26.4 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 84% | 0.841 | 72% | 0.716 | S | S | * | * | trans | 65.3 | 136.3 | 142.1 | -55.1 | 173.7 | 0 | 0 | 0 | 120 | ||||
| 629 | G | 25 | Very low | 26.6 | Very low | 64 Ų | 64 | 121.2 Ų | 121.2 | 66% | 0.66 | 70% | 0.698 | S | S | * | * | trans | -81.3 | -152.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 630 | P | 29.8 | Very low | 26.8 | Very low | 105 Ų | 105 | 116.9 Ų | 116.9 | 68% | 0.682 | 67% | 0.668 | S | S | * | * | cis | -128.2 | -169.7 | 44.6 | 23.6 | 2.1 | 0 | 0 | 0 | 112.4 | ||||
| 631 | F | 24.8 | Very low | 27.1 | Very low | 188 Ų | 188 | 111.5 Ų | 111.5 | 83% | 0.825 | 64% | 0.639 | S | S | * | * | cis | -143.4 | 142.3 | 17.4 | -62.4 | -106.3 | 0 | 0 | 0 | 112 | ||||
| 632 | L | 26.7 | Very low | 27.5 | Very low | 61 Ų | 61 | 106.8 Ų | 106.8 | 32% | 0.319 | 62% | 0.619 | S | S | . | * | trans | -163.2 | 90.2 | 153.7 | -99.4 | 178.8 | 0 | 0 | 0 | 106 | F641 P1258 I1261 | L632-F641 WeakPolarHBondContact CD2-O 3.31Å; L632-P1258 HydrophobicContact CB-CG 4.13Å; L632-P1258 HydrophobicContact CD1-CG 3.61Å; L632-I1261 HydrophobicContact CD1-CD1 4.26Å | ||
| 633 | N | 23.3 | Very low | 28.2 | Very low | 129 Ų | 129 | 104.8 Ų | 104.8 | 69% | 0.69 | 60% | 0.595 | S | S | * | * | trans | -158.7 | 80.9 | -167.2 | -161.2 | 19.4 | 0 | 0 | 0 | 116 | ||||
| 634 | R | 25.6 | Very low | 28.5 | Very low | 214 Ų | 214 | 104 Ų | 104 | 81% | 0.808 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -161.4 | 155.7 | 145.1 | -107.7 | 157.8 | -169.9 | -162.4 | 0.6 | 110.6 | ||
| 635 | N | 25.7 | Very low | 29.2 | Very low | 118 Ų | 118 | 104.4 Ų | 104.4 | 63% | 0.631 | 58% | 0.579 | S | S | * | * | trans | 37.1 | 141.4 | 163.9 | -60.4 | -9.7 | 0 | 0 | 0 | 121.9 | N637 D638 | N635-N637 PolarHBondContact O-N 3.19Å; N635-D638 PolarHBondContact O-N 2.85Å | ||
| 636 | P | 26.6 | Very low | 30 | Very low | 114 Ų | 114 | 99.9 Ų | 99.9 | 74% | 0.74 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | 15.9 | -177.3 | 35.7 | -38.9 | 0 | 0 | 0 | 115 | ||
| 637 | N | 29.4 | Very low | 30.7 | Very low | 130 Ų | 130 | 96.6 Ų | 96.6 | 70% | 0.695 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -16.7 | 174.7 | -77.3 | -6.7 | 0 | 0 | 0 | 112.6 | N635 | N635-N637 PolarHBondContact O-N 3.19Š|
| 638 | D | 28.5 | Very low | 31.5 | Very low | 77 Ų | 77 | 95.8 Ų | 95.8 | 41% | 0.412 | 51% | 0.507 | S | S | . | . | trans | -88 | 128.7 | -166.9 | -64 | -47.4 | 0 | 0 | 0 | 111.5 | N635 F641 | N635-D638 PolarHBondContact O-N 2.85Å; D638-F641 HydrophobicContact CB-CD2 4.1Å; D638-F641 HydrophobicContact CB-CE2 4.25Å | ||
| 639 | S | 30.4 | Very low | 32.3 | Very low | 35 Ų | 35 | 89 Ų | 89 | 25% | 0.245 | 48% | 0.478 | C | S | . | . | trans | -61.7 | 174.1 | 170.7 | 43.2 | 0 | 0 | 0 | 0 | 111.8 | F641 | S639-F641 VanDerWaalsContact O-CD2 3.27Å; S639-F641 WeakPolarHBondContact O-CD2 3.46Å; S639-F641 PolarHBondContact O-N 3.31Å; S639-F641 WeakPolarHBondContact OG-CE2 3.22Å | ||
| 640 | L | 33.7 | Very low | 33.6 | Very low | 24 Ų | 24 | 90.8 Ų | 90.8 | 13% | 0.126 | 48% | 0.476 | C | S | . | . | trans | -64.8 | 75.5 | 176.7 | -76.6 | 164.2 | 0 | 0 | 0 | 112.3 | L642 I1261 Y1334 | L640-L642 VanDerWaalsContact C-N 3.32Å; L640-L642 PolarHBondContact O-N 3.05Å; L640-I1261 HydrophobicContact CD2-CD1 3.75Å; L640-I1261 HydrophobicContact CD2-CG2 4.22Å; L640-I1261 HydrophobicContact CG-CG2 4.45Å; L640-Y1334 HydrophobicContact CD1-CD1 4.16Å; L640-Y1334 HydrophobicContact CD1-CE1 3.69Å; L640-Y1334 HydrophobicContact CD1-CE2 4.24Å; L640-Y1334 HydrophobicContact CG-CE1 4.38Å | ||
| 641 | F | 32.4 | Very low | 34.7 | Very low | 41 Ų | 41 | 88.7 Ų | 88.7 | 18% | 0.18 | 47% | 0.473 | C | S | . | . | trans | -75.1 | 81 | 179.7 | -79.5 | -73.8 | 0 | 0 | 0 | 111.8 | L632 D638 S639 L643 D644 T824 | L632-F641 WeakPolarHBondContact CD2-O 3.31Å; D638-F641 HydrophobicContact CB-CD2 4.1Å; D638-F641 HydrophobicContact CB-CE2 4.25Å; S639-F641 VanDerWaalsContact O-CD2 3.27Å; S639-F641 WeakPolarHBondContact O-CD2 3.46Å; S639-F641 PolarHBondContact O-N 3.31Å; S639-F641 WeakPolarHBondContact OG-CE2 3.22Å; F641-L643 VanDerWaalsContact C-N 3.29Å; F641-L643 PolarHBondContact O-N 2.88Å; F641-D644 WeakPolarHBondContact CB-OD1 3.38Å; F641-T824 HydrophobicContact CE1-CG2 4.19Å | ||
| 642 | L | 36.7 | Very low | 36.6 | Very low | 77 Ų | 77 | 80.6 Ų | 80.6 | 40% | 0.403 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -62.1 | 98.7 | 149.7 | -74.4 | 164.4 | 0 | 0 | 0 | 108 | L640 F872 | L640-L642 VanDerWaalsContact C-N 3.32Å; L640-L642 PolarHBondContact O-N 3.05Å; L642-F872 HydrophobicContact CD1-CE2 4.24Å; L642-F872 HydrophobicContact CD1-CZ 3.95Å; L642-F872 HydrophobicContact CD2-CE1 4.37Å; L642-F872 HydrophobicContact CD2-CE2 4.37Å; L642-F872 HydrophobicContact CD2-CZ 3.73Å; L642-F872 HydrophobicContact CG-CZ 4.43Å |
| 643 | L | 38.2 | Very low | 38.5 | Very low | 54 Ų | 54 | 80.2 Ų | 80.2 | 28% | 0.283 | 44% | 0.441 | S | S | . | . | trans | 72.1 | 90.1 | 179.7 | -56.7 | 99.4 | 0 | 0 | 0 | 116.3 | F641 N645 I646 L865 L871 P882 | F641-L643 VanDerWaalsContact C-N 3.29Å; F641-L643 PolarHBondContact O-N 2.88Å; L643-N645 PolarHBondContact O-N 3.38Å; L643-I646 HydrophobicContact CB-CD1 3.72Å; L643-I646 HydrophobicContact CB-CG1 3.91Å; L643-I646 HydrophobicContact CD1-CD1 4.36Å; L643-I646 HydrophobicContact CD2-CD1 4.32Å; L643-I646 HydrophobicContact CG-CD1 4.35Å; L643-L865 HydrophobicContact CD1-CD1 4.47Å; L643-L871 HydrophobicContact CD1-CD1 4.01Å; L643-L871 HydrophobicContact CD1-CD2 4.2Å; L643-P882 HydrophobicContact CD2-CB 4.41Å; L643-P882 HydrophobicContact CD2-CG 3.8Å | ||
| 644 | D | 34.7 | Very low | 40.7 | Very low | 115 Ų | 115 | 85.2 Ų | 85.2 | 62% | 0.615 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -2.8 | 168.8 | -63.6 | -47.6 | 0 | 0 | 0 | 116 | F641 | F641-D644 WeakPolarHBondContact CB-OD1 3.38Š|
| 645 | N | 37.7 | Very low | 42.9 | Very low | 120 Ų | 120 | 77.5 Ų | 77.5 | 64% | 0.642 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -7 | -164.7 | -71.9 | -60.8 | 0 | 0 | 0 | 115.8 | L643 H647 H648 | L643-N645 PolarHBondContact O-N 3.38Å; N645-H647 PolarHBondContact O-N 2.77Å; N645-H648 PolarHBondContact O-CE1 3.03Å; N645-H648 PolarHBondContact O-ND1 3.13Å |
| 646 | I | 43.2 | Very low | 45.2 | Very low | 18 Ų | 18 | 72 Ų | 72 | 9% | 0.092 | 40% | 0.403 | C | S | . | . | trans | -75.3 | -9.6 | -170.7 | -57.5 | 174.3 | 0 | 0 | 0 | 112.8 | L643 H648 E863 L865 | L643-I646 HydrophobicContact CB-CD1 3.72Å; L643-I646 HydrophobicContact CB-CG1 3.91Å; L643-I646 HydrophobicContact CD1-CD1 4.36Å; L643-I646 HydrophobicContact CD2-CD1 4.32Å; L643-I646 HydrophobicContact CG-CD1 4.35Å; I646-H648 PolarHBondContact O-N 3.45Å; I646-E863 HydrophobicContact CG2-CB 3.91Å; I646-E863 HydrophobicContact CG2-CG 4.23Å; I646-L865 HydrophobicContact CD1-CD1 3.75Å; I646-L865 HydrophobicContact CD1-CG 4.33Å | ||
| 647 | H | 42.5 | Very low | 47.6 | Very low | 61 Ų | 61 | 71.6 Ų | 71.6 | 28% | 0.282 | 39% | 0.387 | S | S | . | . | trans | -85.6 | 53.4 | 173.7 | -66.3 | -25.6 | 0 | 0 | 0 | 113 | N645 G649 M842 E844 | N645-H647 PolarHBondContact O-N 2.77Å; H647-G649 PolarHBondContact O-N 2.8Å; H647-M842 PolarHBondContact CE1-O 3.01Å; H647-E844 IonicContact CD2-OE2 2.71Å; H647-E844 PolarHBondContact CD2-OE2 2.96Å; H647-E844 IonicContact NE2-OE2 2.93Å | ||
| 648 | H | 42.6 | Very low | 49.8 | Very low | 102 Ų | 102 | 68.2 Ų | 68.2 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | trans | -66.4 | 84 | 157.5 | -74.5 | -3.6 | 0 | 0 | 0 | 109.9 | N645 I646 V650 E863 | N645-H648 PolarHBondContact O-CE1 3.03Å; N645-H648 PolarHBondContact O-ND1 3.13Å; I646-H648 PolarHBondContact O-N 3.45Å; H648-V650 HydrophobicContact CB-CG2 4.13Å; H648-V650 PolarHBondContact O-N 2.91Å; H648-E863 IonicContact CD2-OE1 2.72Å | ||
| 649 | G | 41.8 | Very low | 52.2 | Low | 23 Ų | 23 | 66 Ų | 66 | 24% | 0.237 | 36% | 0.364 | C | S | . | . | trans | -63.2 | 63.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | H647 G651 Q682 | H647-G649 PolarHBondContact O-N 2.8Å; G649-G651 VanDerWaalsContact C-N 3.26Å; G649-G651 PolarHBondContact O-N 3.39Å; G649-Q682 PolarHBondContact O-NE2 2.93Å; G649-Q682 PolarHBondContact O-OE1 3.09Å | ||
| 650 | V | 50.5 | Low | 54.5 | Low | 101 Ų | 101 | 64.6 Ų | 64.6 | 61% | 0.612 | 35% | 0.354 | S | S | * | . | trans | -66.6 | 92.4 | 170.2 | 179.6 | 0 | 0 | 0 | 0 | 106.1 | H648 L652 | H648-V650 HydrophobicContact CB-CG2 4.13Å; H648-V650 PolarHBondContact O-N 2.91Å; V650-L652 PolarHBondContact O-N 3.28Å | ||
| 651 | G | 54.9 | Low | 56.7 | Low | 61 Ų | 61 | 73.1 Ų | 73.1 | 63% | 0.629 | 39% | 0.386 | S | S | * | . | trans | -52.2 | 111 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | G649 | G649-G651 VanDerWaalsContact C-N 3.26Å; G649-G651 PolarHBondContact O-N 3.39Å | ||
| 652 | L | 63.3 | Low | 58.9 | Low | 18 Ų | 18 | 73.9 Ų | 73.9 | 9% | 0.094 | 40% | 0.396 | C | S | . | . | trans | -52.4 | 147.6 | -174.3 | -74.2 | 170.3 | 0 | 0 | 0 | 110.4 | V650 R654 A656 Y657 I660 F764 L889 | V650-L652 PolarHBondContact O-N 3.28Å; L652-R654 PolarHBondContact O-N 2.88Å; L652-A656 HydrophobicContact CB-CB 4.08Å; L652-A656 HydrophobicContact CD2-CB 4.38Å; L652-Y657 HydrophobicContact CB-CD2 3.76Å; L652-Y657 HydrophobicContact CB-CE2 3.59Å; L652-Y657 HydrophobicContact CB-CG 4.42Å; L652-Y657 HydrophobicContact CD1-CE1 4.35Å; L652-Y657 WeakPolarHBondContact O-CD2 3.34Å; L652-I660 HydrophobicContact CD1-CD1 3.76Å; L652-F764 HydrophobicContact CD2-CD2 3.82Å; L652-F764 HydrophobicContact CD2-CE2 3.71Å; L652-L889 HydrophobicContact CD1-CD1 3.68Å; L652-L889 HydrophobicContact CD1-CD2 3.66Å; L652-L889 HydrophobicContact CD1-CG 4.34Å; L652-L889 HydrophobicContact CG-CD1 4.43Å | ||
| 653 | S | 67.2 | Low | 60.9 | Low | 53 Ų | 53 | 70.6 Ų | 70.6 | 37% | 0.371 | 38% | 0.38 | S | S | . | . | trans | -52.4 | 143.4 | 176.3 | 82.7 | 0 | 0 | 0 | 0 | 109.7 | A655 A656 Y657 D754 | S653-A655 PolarHBondContact O-N 2.78Å; S653-A656 WeakPolarHBondContact O-CA 3.47Å; S653-A656 WeakPolarHBondContact O-CB 3.19Å; S653-A656 PolarHBondContact O-N 2.9Å; S653-A656 WeakPolarHBondContact OG-CB 3.21Å; S653-A656 PolarHBondContact OG-N 2.87Å; S653-Y657 PolarHBondContact O-N 3.03Å; S653-D754 PolarHBondContact OG-OD1 3.27Å | ||
| 654 | R | 69.4 | Low | 62.9 | Low | 233 Ų | 233 | 70.3 Ų | 70.3 | 88% | 0.879 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -58.3 | -25.7 | 178.3 | -69.5 | -177.1 | 178.2 | 178.1 | -0.8 | 111.7 | L652 A658 | L652-R654 PolarHBondContact O-N 2.88Å; R654-A658 VanDerWaalsContact O-CB 3.32Å; R654-A658 WeakPolarHBondContact O-CB 3.45Å; R654-A658 PolarHBondContact O-N 2.93Å |
| 655 | A | 72.1 | Confident | 65.3 | Low | 53 Ų | 53 | 65.7 Ų | 65.7 | 44% | 0.438 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.1 | -45 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S653 A658 K659 | S653-A655 PolarHBondContact O-N 2.78Å; A655-A658 WeakPolarHBondContact O-CB 3.31Å; A655-A658 PolarHBondContact O-N 3.18Å; A655-K659 PolarHBondContact O-N 2.91Å |
| 656 | A | 73.3 | Confident | 67.4 | Low | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.008 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59 | -46.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | L652 S653 A658 K659 I660 L753 | L652-A656 HydrophobicContact CB-CB 4.08Å; L652-A656 HydrophobicContact CD2-CB 4.38Å; S653-A656 WeakPolarHBondContact O-CA 3.47Å; S653-A656 WeakPolarHBondContact O-CB 3.19Å; S653-A656 PolarHBondContact O-N 2.9Å; S653-A656 WeakPolarHBondContact OG-CB 3.21Å; S653-A656 PolarHBondContact OG-N 2.87Å; A656-A658 PolarHBondContact O-N 3Å; A656-K659 PolarHBondContact O-N 2.81Å; A656-I660 WeakPolarHBondContact O-CG1 3.45Å; A656-I660 PolarHBondContact O-N 3Å; A656-L753 HydrophobicContact CB-CB 4.15Å; A656-L753 HydrophobicContact CB-CD2 3.85Å; A656-L753 HydrophobicContact CB-CG 4.1Å |
| 657 | Y | 76.5 | Confident | 69.3 | Low | 107 Ų | 107 | 66.8 Ų | 66.8 | 42% | 0.42 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 172.4 | -85.4 | -64.6 | 0 | 0 | 0 | 112.6 | L652 S653 K659 I660 Y661 | L652-Y657 HydrophobicContact CB-CD2 3.76Å; L652-Y657 HydrophobicContact CB-CE2 3.59Å; L652-Y657 HydrophobicContact CB-CG 4.42Å; L652-Y657 HydrophobicContact CD1-CE1 4.35Å; L652-Y657 WeakPolarHBondContact O-CD2 3.34Å; S653-Y657 PolarHBondContact O-N 3.03Å; Y657-K659 VanDerWaalsContact C-N 3.35Å; Y657-K659 PolarHBondContact O-N 2.94Å; Y657-I660 PolarHBondContact O-N 2.9Å; Y657-Y661 PolarHBondContact O-N 3.34Å |
| 658 | A | 76.6 | Confident | 71.4 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 48% | 0.479 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R654 A655 A656 Y661 S662 | R654-A658 VanDerWaalsContact O-CB 3.32Å; R654-A658 WeakPolarHBondContact O-CB 3.45Å; R654-A658 PolarHBondContact O-N 2.93Å; A655-A658 WeakPolarHBondContact O-CB 3.31Å; A655-A658 PolarHBondContact O-N 3.18Å; A656-A658 PolarHBondContact O-N 3Å; A658-Y661 WeakPolarHBondContact O-CB 3.33Å; A658-Y661 PolarHBondContact O-N 3.15Å; A658-S662 PolarHBondContact O-N 2.81Å; A658-S662 PolarHBondContact O-OG 2.87Å |
| 659 | K | 77.9 | Confident | 73.5 | Confident | 30 Ų | 30 | 65.1 Ų | 65.1 | 13% | 0.13 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.9 | -34.4 | 175.4 | -71.7 | -160.4 | -161.7 | 160.2 | 0 | 113.8 | A655 A656 Y657 Y661 S662 A663 L753 D755 | A655-K659 PolarHBondContact O-N 2.91Å; A656-K659 PolarHBondContact O-N 2.81Å; Y657-K659 VanDerWaalsContact C-N 3.35Å; Y657-K659 PolarHBondContact O-N 2.94Å; K659-Y661 VanDerWaalsContact C-N 3.32Å; K659-S662 WeakPolarHBondContact CA-OG 3.33Å; K659-S662 PolarHBondContact O-N 2.89Å; K659-S662 PolarHBondContact O-OG 3.41Å; K659-A663 WeakPolarHBondContact O-CB 3.45Å; K659-A663 PolarHBondContact O-N 3.09Å; K659-L753 VanDerWaalsContact CD-O 3.23Å; K659-L753 WeakPolarHBondContact CD-O 3.04Å; K659-L753 VanDerWaalsContact CE-O 3.22Å; K659-L753 WeakPolarHBondContact CE-O 3.45Å; K659-L753 PolarHBondContact NZ-O 3.24Å; K659-D755 VanDerWaalsContact CE-OD2 3.28Å; K659-D755 WeakPolarHBondContact CE-OD2 3.27Å; K659-D755 IonicContact NZ-OD1 2.7Å; K659-D755 PolarHBondContact NZ-OD1 2.88Å; K659-D755 IonicContact NZ-OD2 3.44Å; K659-D755 PolarHBondContact NZ-OD2 3.39Å |
| 660 | I | 79.3 | Confident | 75.6 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 4% | 0.036 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.2 | -48.2 | 168.6 | -70.4 | 163.6 | 0 | 0 | 0 | 109 | L652 A656 Y657 S662 A663 F665 L753 L889 | L652-I660 HydrophobicContact CD1-CD1 3.76Å; A656-I660 WeakPolarHBondContact O-CG1 3.45Å; A656-I660 PolarHBondContact O-N 3Å; Y657-I660 PolarHBondContact O-N 2.9Å; I660-S662 PolarHBondContact O-N 3.02Å; I660-A663 WeakPolarHBondContact O-CB 3.34Å; I660-A663 PolarHBondContact O-N 3.47Å; I660-F665 HydrophobicContact CB-CE2 4.29Å; I660-F665 HydrophobicContact CG1-CE2 4.45Å; I660-F665 HydrophobicContact CG2-CD2 3.77Å; I660-F665 HydrophobicContact CG2-CE2 3.8Å; I660-F665 VanDerWaalsContact O-CD2 3.28Å; I660-F665 WeakPolarHBondContact O-CD2 3.16Å; I660-L753 HydrophobicContact CD1-CD2 3.94Å; I660-L753 HydrophobicContact CG1-CD1 4.47Å; I660-L753 HydrophobicContact CG1-CD2 3.97Å; I660-L753 HydrophobicContact CG1-CG 4.45Å; I660-L889 HydrophobicContact CD1-CD2 3.54Å |
| 661 | Y | 79.2 | Confident | 77 | Confident | 203 Ų | 203 | 64.4 Ų | 64.4 | 80% | 0.796 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.6 | -47.1 | 177.8 | -171.3 | -94 | 0 | 0 | 0 | 112.3 | Y657 A658 K659 A663 G664 | Y657-Y661 PolarHBondContact O-N 3.34Å; A658-Y661 WeakPolarHBondContact O-CB 3.33Å; A658-Y661 PolarHBondContact O-N 3.15Å; K659-Y661 VanDerWaalsContact C-N 3.32Å; Y661-A663 PolarHBondContact O-N 2.65Å; Y661-G664 PolarHBondContact O-N 2.75Å |
| 662 | S | 78.8 | Confident | 78.3 | Confident | 56 Ų | 56 | 66.7 Ų | 66.7 | 39% | 0.392 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -72 | -8.6 | 179.2 | 69.5 | 0 | 0 | 0 | 0 | 114.8 | A658 K659 I660 G664 F778 | A658-S662 PolarHBondContact O-N 2.81Å; A658-S662 PolarHBondContact O-OG 2.87Å; K659-S662 WeakPolarHBondContact CA-OG 3.33Å; K659-S662 PolarHBondContact O-N 2.89Å; K659-S662 PolarHBondContact O-OG 3.41Å; I660-S662 PolarHBondContact O-N 3.02Å; S662-G664 VanDerWaalsContact C-N 3.28Å; S662-F778 WeakPolarHBondContact OG-CD1 3.48Å; S662-F778 WeakPolarHBondContact OG-CE1 3.38Å |
| 663 | A | 78.7 | Confident | 79.1 | Confident | 9 Ų | 9 | 67.2 Ų | 67.2 | 7% | 0.074 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -19.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K659 I660 Y661 F665 I766 F778 P795 | K659-A663 WeakPolarHBondContact O-CB 3.45Å; K659-A663 PolarHBondContact O-N 3.09Å; I660-A663 WeakPolarHBondContact O-CB 3.34Å; I660-A663 PolarHBondContact O-N 3.47Å; Y661-A663 PolarHBondContact O-N 2.65Å; A663-F665 HydrophobicContact CB-CD2 3.98Å; A663-F665 HydrophobicContact CB-CE2 3.81Å; A663-I766 HydrophobicContact CB-CD1 3.73Å; A663-F778 HydrophobicContact CB-CE1 4.01Å; A663-F778 HydrophobicContact CB-CZ 4.46Å; A663-P795 HydrophobicContact CB-CG 4.13Å; A663-P795 WeakPolarHBondContact O-CG 3.46Å |
| 664 | G | 80.8 | Confident | 80 | Confident | 48 Ų | 48 | 69.4 Ų | 69.4 | 50% | 0.495 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 35.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y661 S662 P795 | Y661-G664 PolarHBondContact O-N 2.75Å; S662-G664 VanDerWaalsContact C-N 3.28Å; G664-P795 WeakPolarHBondContact O-CD 3.26Å |
| 665 | F | 84.6 | Confident | 80.8 | Confident | 18 Ų | 18 | 63.2 Ų | 63.2 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 141.6 | 165.2 | -68.6 | -87.1 | 0 | 0 | 0 | 109.9 | I660 A663 P667 L709 I766 P795 | I660-F665 HydrophobicContact CB-CE2 4.29Å; I660-F665 HydrophobicContact CG1-CE2 4.45Å; I660-F665 HydrophobicContact CG2-CD2 3.77Å; I660-F665 HydrophobicContact CG2-CE2 3.8Å; I660-F665 VanDerWaalsContact O-CD2 3.28Å; I660-F665 WeakPolarHBondContact O-CD2 3.16Å; A663-F665 HydrophobicContact CB-CD2 3.98Å; A663-F665 HydrophobicContact CB-CE2 3.81Å; F665-P667 WeakPolarHBondContact O-CD 3.22Å; F665-L709 HydrophobicContact CB-CD2 4.49Å; F665-L709 HydrophobicContact CD1-CD2 3.46Å; F665-L709 VanDerWaalsContact CD1-CD2 3.46Å; F665-L709 HydrophobicContact CD2-CD2 4.28Å; F665-L709 HydrophobicContact CE1-CB 4.13Å; F665-L709 HydrophobicContact CE1-CD2 3.57Å; F665-L709 HydrophobicContact CE1-CG 4.47Å; F665-L709 HydrophobicContact CE2-CD2 4.37Å; F665-L709 HydrophobicContact CG-CD2 3.84Å; F665-L709 HydrophobicContact CZ-CB 4.07Å; F665-L709 HydrophobicContact CZ-CD2 4.01Å; F665-L709 WeakPolarHBondContact CZ-O 3.35Å; F665-I766 HydrophobicContact CE2-CG2 4.46Å; F665-I766 HydrophobicContact CZ-CG2 3.82Å; F665-P795 HydrophobicContact CB-CG 4.32Å; F665-P795 HydrophobicContact CD1-CB 4.03Å; F665-P795 HydrophobicContact CD1-CG 3.71Å; F665-P795 WeakPolarHBondContact CD1-O 3.31Å; F665-P795 HydrophobicContact CD2-CG 4.05Å; F665-P795 HydrophobicContact CE1-CB 3.84Å; F665-P795 HydrophobicContact CE1-CG 4Å; F665-P795 HydrophobicContact CE2-CG 4.32Å; F665-P795 HydrophobicContact CG-CB 4.5Å; F665-P795 HydrophobicContact CG-CG 3.75Å; F665-P795 HydrophobicContact CZ-CB 4.17Å; F665-P795 HydrophobicContact CZ-CG 4.31Å |
| 666 | E | 82.5 | Confident | 81.7 | Confident | 74 Ų | 74 | 61.1 Ų | 61.1 | 35% | 0.346 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 120.6 | 178.7 | -168.7 | -171.2 | 164.6 | 0 | 0 | 110.2 | I668 Q707 K798 | E666-I668 PolarHBondContact O-N 2.81Å; E666-Q707 PolarHBondContact O-NE2 2.67Å; E666-K798 IonicContact OE1-NZ 3.89Å; E666-K798 PolarHBondContact OE1-NZ 2.81Å; E666-K798 WeakPolarHBondContact OE2-CD 3.48Å; E666-K798 WeakPolarHBondContact OE2-CE 3.38Å; E666-K798 IonicContact OE2-NZ 3.54Å; E666-K798 PolarHBondContact OE2-NZ 2.73Å |
| 667 | P | 83.3 | Confident | 82.4 | Confident | 86 Ų | 86 | 66.1 Ų | 66.1 | 56% | 0.558 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 126 | -177.8 | 29.3 | -33.4 | 0 | 0 | 0 | 110.3 | F665 | F665-P667 WeakPolarHBondContact O-CD 3.22Š|
| 668 | I | 86.7 | Confident | 83 | Confident | 15 Ų | 15 | 65.1 Ų | 65.1 | 8% | 0.077 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 133.9 | 171 | -54.4 | -175.6 | 0 | 0 | 0 | 108.3 | E666 P676 I705 R891 A893 I895 | E666-I668 PolarHBondContact O-N 2.81Å; I668-P676 HydrophobicContact CB-CG 4.25Å; I668-P676 HydrophobicContact CG2-CG 4.01Å; I668-P676 WeakPolarHBondContact O-CD 3.09Å; I668-I705 HydrophobicContact CD1-CG2 4.14Å; I668-I705 HydrophobicContact CG2-CD1 4.21Å; I668-R891 HydrophobicContact CD1-CG 4.08Å; I668-A893 HydrophobicContact CD1-CB 3.74Å; I668-A893 HydrophobicContact CG2-CB 3.99Å; I668-I895 HydrophobicContact CG2-CD1 3.9Å; I668-I895 HydrophobicContact CG2-CG1 4.4Å |
| 669 | K | 87.1 | Confident | 83.4 | Confident | 114 Ų | 114 | 62.7 Ų | 62.7 | 50% | 0.496 | 34% | 0.342 | S | S | . | . | trans | -141.4 | 153.4 | -176.4 | -74.7 | 174.4 | 163.3 | -106 | 0 | 110.5 | G673 D674 I895 | K669-G673 PolarHBondContact NZ-O 3.27Å; K669-D674 CarbonylContact C-O 3.55Å; K669-D674 VanDerWaalsContact CA-O 3.24Å; K669-D674 WeakPolarHBondContact CA-O 3.17Å; K669-I895 VanDerWaalsContact O-CD1 3.29Å; K669-I895 WeakPolarHBondContact O-CD1 3.18Å | ||
| 670 | T | 86 | Confident | 83.5 | Confident | 13 Ų | 13 | 64.9 Ų | 64.9 | 8% | 0.08 | 36% | 0.355 | C | S | . | . | trans | -77.9 | 175.7 | 172.5 | 77.2 | 0 | 0 | 0 | 0 | 112.2 | N672 G673 D674 E854 A855 | T670-N672 PolarHBondContact O-N 2.83Å; T670-N672 PolarHBondContact OG1-N 2.92Å; T670-G673 WeakPolarHBondContact O-CA 3.38Å; T670-G673 PolarHBondContact O-N 3.01Å; T670-D674 PolarHBondContact N-O 3.3Å; T670-E854 WeakPolarHBondContact CB-OE1 3.37Å; T670-E854 HydrophobicContact CG2-CG 4.05Å; T670-E854 PolarHBondContact OG1-OE1 2.85Å; T670-A855 HydrophobicContact CG2-CB 3.65Å | ||
| 671 | E | 79.1 | Confident | 83.3 | Confident | 95 Ų | 95 | 66.6 Ų | 66.6 | 44% | 0.444 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -35.4 | 172.4 | -164.9 | -174.5 | 153.6 | 0 | 0 | 112.2 | G673 R898 | E671-G673 VanDerWaalsContact C-N 3.25Å; E671-G673 PolarHBondContact O-N 3.11Å; E671-R898 PolarHBondContact OE2-N 2.9Å |
| 672 | N | 81.4 | Confident | 82.9 | Confident | 110 Ų | 110 | 63 Ų | 63 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -8.7 | 175.5 | -63.9 | -59.7 | 0 | 0 | 0 | 113.6 | T670 E854 | T670-N672 PolarHBondContact O-N 2.83Å; T670-N672 PolarHBondContact OG1-N 2.92Å; N672-E854 VanDerWaalsContact ND2-CD 3.26Å; N672-E854 PolarHBondContact ND2-OE1 3.16Å; N672-E854 PolarHBondContact ND2-OE2 2.87Å; N672-E854 VanDerWaalsContact ND2-OE2 3.08Å |
| 673 | G | 81.8 | Confident | 82.4 | Confident | 28 Ų | 28 | 65.1 Ų | 65.1 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 88.1 | 1.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K669 T670 E671 | K669-G673 PolarHBondContact NZ-O 3.27Å; T670-G673 WeakPolarHBondContact O-CA 3.38Å; T670-G673 PolarHBondContact O-N 3.01Å; E671-G673 VanDerWaalsContact C-N 3.25Å; E671-G673 PolarHBondContact O-N 3.11Å |
| 674 | D | 86.1 | Confident | 81.7 | Confident | 99 Ų | 99 | 67.1 Ų | 67.1 | 53% | 0.529 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 160.2 | 178.9 | -80.7 | -47.2 | 0 | 0 | 0 | 112.7 | K669 T670 | K669-D674 CarbonylContact C-O 3.55Å; K669-D674 VanDerWaalsContact CA-O 3.24Å; K669-D674 WeakPolarHBondContact CA-O 3.17Å; T670-D674 PolarHBondContact N-O 3.3Å |
| 675 | P | 86.2 | Confident | 80.8 | Confident | 104 Ų | 104 | 69.3 Ų | 69.3 | 68% | 0.675 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 140.8 | 176.2 | 30.6 | -34.3 | 0 | 0 | 0 | 112.1 | ||
| 676 | P | 89.7 | Confident | 79.8 | Confident | 9 Ų | 9 | 71.1 Ų | 71.1 | 6% | 0.058 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 151.5 | 177.2 | 29.7 | -37.5 | 0 | 0 | 0 | 112.7 | I668 T678 A855 Q857 | I668-P676 HydrophobicContact CB-CG 4.25Å; I668-P676 HydrophobicContact CG2-CG 4.01Å; I668-P676 WeakPolarHBondContact O-CD 3.09Å; P676-T678 PolarHBondContact O-N 3.31Å; P676-A855 HydrophobicContact CB-CB 3.73Å; P676-Q857 HydrophobicContact CB-CB 3.91Å; P676-Q857 HydrophobicContact CG-CB 3.62Å; P676-Q857 HydrophobicContact CG-CG 4.3Å |
| 677 | F | 88.8 | Confident | 78.5 | Confident | 105 Ų | 105 | 74 Ų | 74 | 46% | 0.461 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 118.3 | 176.4 | -176.2 | -86.6 | 0 | 0 | 0 | 110.1 | I679 R853 A855 V856 Q857 | F677-I679 HydrophobicContact CD1-CG1 3.9Å; F677-I679 HydrophobicContact CE1-CG1 4.06Å; F677-R853 VanDerWaalsContact CE1-CZ 3.49Å; F677-A855 WeakPolarHBondContact CB-O 3.48Å; F677-A855 PolarHBondContact N-O 2.92Å; F677-V856 CarbonylContact O-C 3.58Å; F677-V856 WeakPolarHBondContact O-CA 3.14Å; F677-Q857 PolarHBondContact O-N 3.24Å |
| 678 | T | 88.4 | Confident | 77.7 | Confident | 86 Ų | 86 | 76.4 Ų | 76.4 | 53% | 0.528 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 120.4 | -177.3 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | P676 Q857 | P676-T678 PolarHBondContact O-N 3.31Å; T678-Q857 CarbonylContact C-O 3.5Å; T678-Q857 VanDerWaalsContact CA-O 3.31Å; T678-Q857 WeakPolarHBondContact CA-O 3.45Å; T678-Q857 PolarHBondContact OG1-NE2 2.9Å |
| 679 | I | 84.8 | Confident | 77.3 | Confident | 8 Ų | 8 | 78.2 Ų | 78.2 | 4% | 0.041 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 140.5 | 177.9 | -61 | 172.8 | 0 | 0 | 0 | 109.3 | F677 D684 H847 V856 Q857 I858 | F677-I679 HydrophobicContact CD1-CG1 3.9Å; F677-I679 HydrophobicContact CE1-CG1 4.06Å; I679-D684 HydrophobicContact CG2-CB 3.65Å; I679-H847 HydrophobicContact CD1-CB 4.16Å; I679-H847 WeakPolarHBondContact CD1-O 3.38Å; I679-H847 HydrophobicContact CG2-CB 4.24Å; I679-V856 HydrophobicContact CD1-CB 3.85Å; I679-V856 HydrophobicContact CD1-CG1 4Å; I679-V856 HydrophobicContact CD1-CG2 4.45Å; I679-Q857 PolarHBondContact N-O 2.97Å; I679-I858 HydrophobicContact CB-CB 4.44Å; I679-I858 HydrophobicContact CB-CD1 4.23Å; I679-I858 HydrophobicContact CG2-CD1 3.93Å |
| 680 | D | 81 | Confident | 77.1 | Confident | 76 Ų | 76 | 77.2 Ų | 77.2 | 41% | 0.406 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -100.8 | 118.1 | 169.4 | -178.9 | -12.2 | 0 | 0 | 0 | 109.4 | Q682 T683 D684 | D680-Q682 PolarHBondContact O-N 3.26Å; D680-Q682 PolarHBondContact OD1-N 3.21Å; D680-T683 PolarHBondContact O-N 3.2Å; D680-D684 PolarHBondContact O-N 3.1Å; D680-D684 VanDerWaalsContact O-N 3.12Å |
| 681 | P | 74.3 | Confident | 76.9 | Confident | 42 Ų | 42 | 78.7 Ų | 78.7 | 27% | 0.273 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.2 | -179.4 | 24 | -31.2 | 0 | 0 | 0 | 114 | I858 Y860 | P681-I858 HydrophobicContact CB-CD1 3.92Å; P681-I858 HydrophobicContact CG-CD1 4.25Å; P681-I858 HydrophobicContact CG-CG1 4.46Å; P681-Y860 HydrophobicContact CB-CE1 4.01Å; P681-Y860 HydrophobicContact CG-CE1 4.45Å |
| 682 | Q | 70.6 | Confident | 77.1 | Confident | 127 Ų | 127 | 78.5 Ų | 78.5 | 59% | 0.593 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -15.1 | 179.4 | -62 | -159.4 | -43.7 | 0 | 0 | 113.8 | G649 D680 | G649-Q682 PolarHBondContact O-NE2 2.93Å; G649-Q682 PolarHBondContact O-OE1 3.09Å; D680-Q682 PolarHBondContact O-N 3.26Å; D680-Q682 PolarHBondContact OD1-N 3.21Å |
| 683 | T | 68.8 | Low | 77.2 | Confident | 102 Ų | 102 | 78.6 Ų | 78.6 | 63% | 0.626 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.8 | -26.2 | -172.8 | 64.3 | 0 | 0 | 0 | 0 | 115.7 | D680 T685 | D680-T683 PolarHBondContact O-N 3.2Å; T683-T685 PolarHBondContact O-N 3.3Å |
| 684 | D | 64.9 | Low | 77.3 | Confident | 50 Ų | 50 | 77.5 Ų | 77.5 | 27% | 0.267 | 41% | 0.408 | S | S | . | . | trans | -92.9 | 76.7 | -176.7 | -149.9 | 20.4 | 0 | 0 | 0 | 109.9 | I679 D680 H847 R853 | I679-D684 HydrophobicContact CG2-CB 3.65Å; D680-D684 PolarHBondContact O-N 3.1Å; D680-D684 VanDerWaalsContact O-N 3.12Å; D684-H847 PolarHBondContact O-CE1 3.24Å; D684-H847 VanDerWaalsContact O-CE1 3.31Å; D684-R853 IonicContact OD2-CZ 2.73Å; D684-R853 IonicContact OD2-NH1 3.54Å; D684-R853 PolarHBondContact OD2-NH1 2.86Å; D684-R853 IonicContact OD2-NH2 3.81Å | ||
| 685 | T | 61.6 | Low | 77 | Confident | 94 Ų | 94 | 78.3 Ų | 78.3 | 58% | 0.577 | 41% | 0.409 | S | S | * | . | trans | -75.5 | 128 | 172.6 | 56.8 | 0 | 0 | 0 | 0 | 110.4 | T683 D687 | T683-T685 PolarHBondContact O-N 3.3Å; T685-D687 WeakPolarHBondContact CB-OD1 3.25Å; T685-D687 PolarHBondContact O-N 3.44Å; T685-D687 PolarHBondContact OG1-OD1 3.34Å; T685-D687 PolarHBondContact OG1-OD2 2.89Å | ||
| 686 | I | 63.1 | Low | 76.7 | Confident | 57 Ų | 57 | 78.7 Ų | 78.7 | 29% | 0.292 | 41% | 0.409 | S | S | . | . | trans | -87.1 | 67.2 | -174.8 | -52.8 | 171.3 | 0 | 0 | 0 | 109.4 | E688 F689 K846 | I686-E688 PolarHBondContact O-N 3.16Å; I686-F689 HydrophobicContact CG2-CB 4.18Å; I686-K846 HydrophobicContact CD1-CB 4.06Å; I686-K846 HydrophobicContact CD1-CG 4.05Å; I686-K846 WeakPolarHBondContact CD1-O 3.48Å | ||
| 687 | D | 55.2 | Low | 76.3 | Confident | 135 Ų | 135 | 79.4 Ų | 79.4 | 72% | 0.722 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -65.9 | -25.2 | -169.7 | -62.5 | -8.9 | 0 | 0 | 0 | 113.3 | T685 | T685-D687 WeakPolarHBondContact CB-OD1 3.25Å; T685-D687 PolarHBondContact O-N 3.44Å; T685-D687 PolarHBondContact OG1-OD1 3.34Å; T685-D687 PolarHBondContact OG1-OD2 2.89Å |
| 688 | E | 66.2 | Low | 75.7 | Confident | 136 Ų | 136 | 80.7 Ų | 80.7 | 64% | 0.636 | 42% | 0.423 | S | S | * | . | trans | -141.4 | 96.7 | 168.7 | -69.7 | -170.5 | 118.4 | 0 | 0 | 111.7 | I686 K690 | I686-E688 PolarHBondContact O-N 3.16Å; E688-K690 VanDerWaalsContact CD-CE 3.5Å; E688-K690 IonicContact OE1-NZ 2.68Å; E688-K690 WeakPolarHBondContact OE2-CE 3.33Å; E688-K690 IonicContact OE2-NZ 3.13Å; E688-K690 PolarHBondContact OE2-NZ 3.37Å | ||
| 689 | F | 78.9 | Confident | 75.4 | Confident | 52 Ų | 52 | 77.5 Ų | 77.5 | 23% | 0.228 | 40% | 0.403 | C | S | . | . | trans | -69.1 | 128.2 | 163.9 | 170.9 | -94.5 | 0 | 0 | 0 | 110.6 | I686 F691 E694 F817 L821 C849 Q851 | I686-F689 HydrophobicContact CG2-CB 4.18Å; F689-F691 VanDerWaalsContact CE1-CA 3.48Å; F689-F691 HydrophobicContact CE1-CB 3.72Å; F689-F691 HydrophobicContact CE1-CD2 4.08Å; F689-F691 HydrophobicContact CE1-CG 4.42Å; F689-F691 HydrophobicContact CZ-CB 4.3Å; F689-F691 HydrophobicContact CZ-CD2 4.16Å; F689-E694 HydrophobicContact CE2-CG 3.9Å; F689-E694 HydrophobicContact CZ-CG 3.97Å; F689-F817 HydrophobicContact CE2-CD1 4.41Å; F689-F817 HydrophobicContact CZ-CB 3.84Å; F689-F817 HydrophobicContact CZ-CD1 4.34Å; F689-F817 HydrophobicContact CZ-CG 4.2Å; F689-L821 HydrophobicContact CB-CD1 4.02Å; F689-L821 HydrophobicContact CB-CD2 3.79Å; F689-L821 HydrophobicContact CD1-CD1 3.35Å; F689-L821 HydrophobicContact CD2-CD1 3.7Å; F689-L821 HydrophobicContact CD2-CD2 3.66Å; F689-L821 HydrophobicContact CD2-CG 4.12Å; F689-L821 HydrophobicContact CE1-CD1 3.6Å; F689-L821 HydrophobicContact CE2-CD1 3.93Å; F689-L821 HydrophobicContact CE2-CD2 4.38Å; F689-L821 HydrophobicContact CE2-CG 4.45Å; F689-L821 HydrophobicContact CG-CD1 3.4Å; F689-L821 HydrophobicContact CG-CD2 3.76Å; F689-L821 HydrophobicContact CG-CG 4.17Å; F689-L821 HydrophobicContact CZ-CD1 3.9Å; F689-C849 HydrophobicContact CD2-CB 4.11Å; F689-C849 HydrophobicContact CE2-CB 4Å; F689-Q851 HydrophobicContact CD2-CG 4.49Å | ||
| 690 | K | 82.9 | Confident | 75.1 | Confident | 93 Ų | 93 | 79.3 Ų | 79.3 | 40% | 0.404 | 41% | 0.413 | S | S | . | . | trans | -117.7 | 95.7 | -179.2 | -57.8 | -165.7 | -179 | -167.7 | 0 | 110.3 | E688 V692 K693 | E688-K690 VanDerWaalsContact CD-CE 3.5Å; E688-K690 IonicContact OE1-NZ 2.68Å; E688-K690 WeakPolarHBondContact OE2-CE 3.33Å; E688-K690 IonicContact OE2-NZ 3.13Å; E688-K690 PolarHBondContact OE2-NZ 3.37Å; K690-V692 PolarHBondContact O-N 3.5Å; K690-V692 VanDerWaalsContact O-N 3.13Å; K690-K693 HydrophobicContact CB-CD 4.34Å; K690-K693 HydrophobicContact CB-CG 4.26Å; K690-K693 WeakPolarHBondContact O-CB 3.47Å; K690-K693 PolarHBondContact O-N 3.36Å | ||
| 691 | F | 82.1 | Confident | 75.3 | Confident | 44 Ų | 44 | 78.2 Ų | 78.2 | 19% | 0.193 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -42.8 | -176.7 | -176.7 | -100.4 | 0 | 0 | 0 | 113.4 | F689 K693 E694 E695 M813 E814 F817 | F689-F691 VanDerWaalsContact CE1-CA 3.48Å; F689-F691 HydrophobicContact CE1-CB 3.72Å; F689-F691 HydrophobicContact CE1-CD2 4.08Å; F689-F691 HydrophobicContact CE1-CG 4.42Å; F689-F691 HydrophobicContact CZ-CB 4.3Å; F689-F691 HydrophobicContact CZ-CD2 4.16Å; F691-K693 PolarHBondContact O-N 2.86Å; F691-E694 PolarHBondContact O-N 2.98Å; F691-E695 HydrophobicContact CD1-CB 4.33Å; F691-E695 HydrophobicContact CE1-CB 4.03Å; F691-E695 HydrophobicContact CE1-CG 4.34Å; F691-E695 PolarHBondContact O-N 3.43Å; F691-E695 VanDerWaalsContact O-N 3.08Å; F691-M813 HydrophobicContact CE2-CG 4.14Å; F691-M813 HydrophobicContact CZ-CB 4.36Å; F691-M813 HydrophobicContact CZ-CG 3.86Å; F691-M813 HydrophobicContact CZ-SD 3.83Å; F691-E814 HydrophobicContact CE1-CG 4.07Å; F691-E814 HydrophobicContact CE2-CB 4.33Å; F691-E814 HydrophobicContact CE2-CG 3.89Å; F691-E814 HydrophobicContact CZ-CB 4.45Å; F691-E814 HydrophobicContact CZ-CG 3.59Å; F691-F817 HydrophobicContact CD2-CB 4.42Å; F691-F817 HydrophobicContact CD2-CD2 4.43Å; F691-F817 HydrophobicContact CE2-CB 4.41Å; F691-F817 AromaticContact CE2-CD2 3.9Å; F691-F817 HydrophobicContact CE2-CD2 3.9Å |
| 692 | V | 82.3 | Confident | 76 | Confident | 92 Ų | 92 | 76.5 Ų | 76.5 | 56% | 0.558 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -50.2 | -36.2 | 177.4 | -177.4 | 0 | 0 | 0 | 0 | 112.2 | K690 E694 E695 V696 | K690-V692 PolarHBondContact O-N 3.5Å; K690-V692 VanDerWaalsContact O-N 3.13Å; V692-E694 VanDerWaalsContact C-N 3.29Å; V692-E694 PolarHBondContact O-N 2.74Å; V692-E695 PolarHBondContact O-N 3.03Å; V692-V696 HydrophobicContact CG1-CG2 3.82Å; V692-V696 VanDerWaalsContact O-CG2 3.31Å; V692-V696 WeakPolarHBondContact O-CG2 3.34Å; V692-V696 PolarHBondContact O-N 3.39Å |
| 693 | K | 84.2 | Confident | 77 | Confident | 111 Ų | 111 | 71.1 Ų | 71.1 | 48% | 0.483 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.5 | -26.8 | 178.5 | -69.3 | -175.2 | 169.8 | -174.3 | 0 | 114.2 | K690 F691 Q851 | K690-K693 HydrophobicContact CB-CD 4.34Å; K690-K693 HydrophobicContact CB-CG 4.26Å; K690-K693 WeakPolarHBondContact O-CB 3.47Å; K690-K693 PolarHBondContact O-N 3.36Å; F691-K693 PolarHBondContact O-N 2.86Å; K693-Q851 HydrophobicContact CD-CB 4.36Å; K693-Q851 WeakPolarHBondContact CD-O 3.45Å |
| 694 | E | 84.3 | Confident | 78.1 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 3% | 0.028 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -85.5 | -32.3 | 173.8 | -46.6 | -73.2 | -177 | 0 | 0 | 110.4 | F689 F691 V692 F817 R850 Q851 | F689-E694 HydrophobicContact CE2-CG 3.9Å; F689-E694 HydrophobicContact CZ-CG 3.97Å; F691-E694 PolarHBondContact O-N 2.98Å; V692-E694 VanDerWaalsContact C-N 3.29Å; V692-E694 PolarHBondContact O-N 2.74Å; E694-F817 HydrophobicContact CB-CD2 4.3Å; E694-F817 HydrophobicContact CB-CE1 3.98Å; E694-F817 HydrophobicContact CB-CE2 3.74Å; E694-F817 HydrophobicContact CB-CZ 3.57Å; E694-F817 HydrophobicContact CG-CD1 4Å; E694-F817 HydrophobicContact CG-CE1 3.71Å; E694-F817 HydrophobicContact CG-CE2 4.28Å; E694-F817 HydrophobicContact CG-CG 4.42Å; E694-F817 HydrophobicContact CG-CZ 3.86Å; E694-R850 PolarHBondContact OE1-N 3.5Å; E694-Q851 VanDerWaalsContact CD-N 3.34Å; E694-Q851 PolarHBondContact OE1-N 2.81Å; E694-Q851 PolarHBondContact OE1-NE2 2.72Å; E694-Q851 PolarHBondContact OE2-N 2.65Å |
| 695 | E | 78.9 | Confident | 79.4 | Confident | 116 Ų | 116 | 64.3 Ų | 64.3 | 54% | 0.542 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -71.3 | -43 | -179.1 | -172.6 | -179 | -164.9 | 0 | 0 | 113.4 | F691 V692 D697 | F691-E695 HydrophobicContact CD1-CB 4.33Å; F691-E695 HydrophobicContact CE1-CB 4.03Å; F691-E695 HydrophobicContact CE1-CG 4.34Å; F691-E695 PolarHBondContact O-N 3.43Å; F691-E695 VanDerWaalsContact O-N 3.08Å; V692-E695 PolarHBondContact O-N 3.03Å; E695-D697 PolarHBondContact O-N 3.32Å |
| 696 | V | 80.2 | Confident | 80.9 | Confident | 111 Ų | 111 | 59.8 Ų | 59.8 | 67% | 0.673 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 10 | 177.3 | -144.3 | 0 | 0 | 0 | 0 | 113.1 | V692 | V692-V696 HydrophobicContact CG1-CG2 3.82Å; V692-V696 VanDerWaalsContact O-CG2 3.31Å; V692-V696 WeakPolarHBondContact O-CG2 3.34Å; V692-V696 PolarHBondContact O-N 3.39Å |
| 697 | D | 80.2 | Confident | 82.2 | Confident | 24 Ų | 24 | 57.3 Ų | 57.3 | 13% | 0.128 | 29% | 0.288 | C | S | . | . | trans | -71.1 | 133.8 | 177.2 | -172 | 13.4 | 0 | 0 | 0 | 111.8 | E695 L699 R850 | E695-D697 PolarHBondContact O-N 3.32Å; D697-L699 VanDerWaalsContact C-N 3.3Å; D697-L699 PolarHBondContact OD1-N 2.95Å; D697-R850 IonicContact OD2-CZ 3.89Å; D697-R850 VanDerWaalsContact OD2-CZ 3.27Å; D697-R850 IonicContact OD2-NH1 2.79Å; D697-R850 PolarHBondContact OD2-NH1 2.94Å; D697-R850 IonicContact OD2-NH2 3.67Å; D697-R850 PolarHBondContact OD2-NH2 3.01Å | ||
| 698 | L | 76.9 | Confident | 84 | Confident | 132 Ų | 132 | 50.9 Ų | 50.9 | 69% | 0.691 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -78.2 | -19.1 | 175.1 | -59.5 | 177 | 0 | 0 | 0 | 112 | N700 | L698-N700 VanDerWaalsContact C-N 3.34Å; L698-N700 PolarHBondContact O-N 2.85Å |
| 699 | L | 82.3 | Confident | 85 | Confident | 20 Ų | 20 | 44.4 Ų | 44.4 | 11% | 0.105 | 22% | 0.223 | C | C | . | . | trans | -96.2 | 47.4 | 176.9 | -64.8 | 157.4 | 0 | 0 | 0 | 110.8 | D697 Q701 R850 E854 G896 H897 R898 | D697-L699 VanDerWaalsContact C-N 3.3Å; D697-L699 PolarHBondContact OD1-N 2.95Å; L699-Q701 PolarHBondContact O-N 2.95Å; L699-R850 PolarHBondContact O-NH2 2.79Å; L699-E854 HydrophobicContact CD1-CB 4.07Å; L699-E854 HydrophobicContact CD1-CG 3.86Å; L699-G896 WeakPolarHBondContact O-CA 3.48Å; L699-H897 CarbonylContact C-O 3.59Å; L699-H897 WeakPolarHBondContact CA-O 3.5Å; L699-R898 HydrophobicContact CD2-CG 3.81Å | ||
| 700 | N | 77.9 | Confident | 85.5 | Confident | 45 Ų | 45 | 42 Ų | 42 | 24% | 0.241 | 21% | 0.212 | C | C | . | . | trans | -74.9 | -14.3 | -164.5 | 52.6 | 34.4 | 0 | 0 | 0 | 116.2 | L698 N702 P805 | L698-N700 VanDerWaalsContact C-N 3.34Å; L698-N700 PolarHBondContact O-N 2.85Å; N700-N702 PolarHBondContact O-N 3.24Å; N700-N702 PolarHBondContact O-ND2 3.47Å; N700-N702 VanDerWaalsContact O-ND2 3.15Å; N700-P805 HydrophobicContact CB-CG 4.5Å; N700-P805 WeakPolarHBondContact O-CD 3.48Å; N700-P805 WeakPolarHBondContact O-CG 3.45Å | ||
| 701 | Q | 85.4 | Confident | 85.8 | Confident | 54 Ų | 54 | 38.1 Ų | 38.1 | 25% | 0.252 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 122 | 166.7 | -72.1 | -172 | -14.3 | 0 | 0 | 109.4 | L699 D804 G896 H897 | L699-Q701 PolarHBondContact O-N 2.95Å; Q701-D804 HydrophobicContact CG-CB 3.93Å; Q701-D804 PolarHBondContact NE2-OD2 3.32Å; Q701-G896 CarbonylContact O-C 3.55Å; Q701-G896 WeakPolarHBondContact O-CA 3.42Å; Q701-H897 HydrophobicContact CB-CB 4.28Å; Q701-H897 PolarHBondContact O-N 2.87Å |
| 702 | N | 88.7 | Confident | 85.7 | Confident | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.027 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.8 | -179.3 | -69.9 | -87.9 | 0 | 0 | 0 | 110.4 | N700 I803 R850 N894 | N700-N702 PolarHBondContact O-N 3.24Å; N700-N702 PolarHBondContact O-ND2 3.47Å; N700-N702 VanDerWaalsContact O-ND2 3.15Å; N702-I803 PolarHBondContact N-O 3.32Å; N702-I803 PolarHBondContact O-N 2.7Å; N702-R850 PolarHBondContact OD1-NE 3.4Å; N702-R850 VanDerWaalsContact OD1-NE 3.11Å; N702-R850 PolarHBondContact OD1-NH2 2.89Å; N702-N894 WeakPolarHBondContact CB-OD1 3.33Å; N702-N894 PolarHBondContact OD1-ND2 2.98Å; N702-N894 PolarHBondContact OD1-OD1 2.89Å |
| 703 | E | 91.2 | Very high | 85 | Confident | 15 Ų | 15 | 32.4 Ų | 32.4 | 7% | 0.07 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 105.7 | 168.1 | -177.8 | 175.9 | 161.1 | 0 | 0 | 109.9 | I705 V800 R802 N894 I895 H897 | E703-I705 HydrophobicContact CG-CD1 4.3Å; E703-I705 HydrophobicContact CG-CG1 3.92Å; E703-I705 WeakPolarHBondContact OE1-CD1 3.37Å; E703-V800 HydrophobicContact CG-CG1 3.52Å; E703-V800 WeakPolarHBondContact OE1-CG1 3.45Å; E703-R802 HydrophobicContact CB-CG 4.09Å; E703-R802 HydrophobicContact CG-CG 3.86Å; E703-R802 IonicContact OE1-NE 2.89Å; E703-R802 IonicContact OE1-NH2 3.45Å; E703-R802 IonicContact OE2-CZ 2.78Å; E703-R802 IonicContact OE2-NE 3.18Å; E703-R802 PolarHBondContact OE2-NE 3Å; E703-R802 IonicContact OE2-NH2 3.93Å; E703-R802 PolarHBondContact OE2-NH2 3.05Å; E703-N894 WeakPolarHBondContact O-CA 3.29Å; E703-I895 HydrophobicContact CB-CB 4.37Å; E703-I895 PolarHBondContact N-O 2.82Å; E703-I895 PolarHBondContact O-N 2.98Å; E703-H897 IonicContact OE2-CD2 3.82Å; E703-H897 IonicContact OE2-CE1 2.69Å; E703-H897 IonicContact OE2-NE2 3.52Å; E703-H897 PolarHBondContact OE2-NE2 2.97Å |
| 704 | I | 92.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 119.7 | 175.8 | -54.3 | -67.3 | 0 | 0 | 0 | 108.7 | F706 F736 F801 I803 F816 L848 A893 N894 | I704-F706 HydrophobicContact CG2-CD1 3.86Å; I704-F706 HydrophobicContact CG2-CE1 3.45Å; I704-F706 VanDerWaalsContact CG2-CE1 3.45Å; I704-F706 HydrophobicContact CG2-CZ 4.49Å; I704-F736 HydrophobicContact CB-CE1 3.98Å; I704-F736 HydrophobicContact CB-CZ 4.13Å; I704-F736 HydrophobicContact CG1-CE1 3.97Å; I704-F736 HydrophobicContact CG1-CZ 3.88Å; I704-F736 HydrophobicContact CG2-CE1 3.87Å; I704-F736 HydrophobicContact CG2-CE2 4.41Å; I704-F736 HydrophobicContact CG2-CZ 3.72Å; I704-F801 HydrophobicContact CB-CB 4.3Å; I704-F801 PolarHBondContact N-O 3.26Å; I704-F801 PolarHBondContact O-N 3.1Å; I704-I803 HydrophobicContact CG1-CD1 4.08Å; I704-F816 HydrophobicContact CD1-CZ 4.44Å; I704-F816 HydrophobicContact CG1-CZ 4.4Å; I704-L848 HydrophobicContact CG2-CD1 4.15Å; I704-A893 CarbonylContact C-O 3.59Å; I704-A893 WeakPolarHBondContact CA-O 3.5Å; I704-N894 HydrophobicContact CD1-CB 3.62Å; I704-N894 VanDerWaalsContact CD1-CG 3.41Å |
| 705 | I | 92.1 | Very high | 81.9 | Confident | 8 Ų | 8 | 31.8 Ų | 31.8 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.9 | -178.1 | -56.6 | -176.6 | 0 | 0 | 0 | 110.1 | I668 E703 K798 V799 V800 L892 A893 I895 | I668-I705 HydrophobicContact CD1-CG2 4.14Å; I668-I705 HydrophobicContact CG2-CD1 4.21Å; E703-I705 HydrophobicContact CG-CD1 4.3Å; E703-I705 HydrophobicContact CG-CG1 3.92Å; E703-I705 WeakPolarHBondContact OE1-CD1 3.37Å; I705-K798 HydrophobicContact CG2-CD 4.13Å; I705-K798 HydrophobicContact CG2-CG 3.71Å; I705-V799 WeakPolarHBondContact CA-O 3.32Å; I705-V800 HydrophobicContact CG1-CG2 4.37Å; I705-L892 CarbonylContact O-C 3.55Å; I705-L892 WeakPolarHBondContact O-CA 3.33Å; I705-A893 HydrophobicContact CB-CB 4.42Å; I705-A893 PolarHBondContact N-O 3.18Å; I705-A893 PolarHBondContact O-N 3.31Å; I705-I895 HydrophobicContact CD1-CD1 3.6Å; I705-I895 HydrophobicContact CG1-CD1 4.5Å |
| 706 | F | 92.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 113.2 | 172.3 | -69.6 | 14.8 | 0 | 0 | 0 | 108.7 | I704 F708 F734 F736 K798 V799 F801 M825 L845 L848 L892 | I704-F706 HydrophobicContact CG2-CD1 3.86Å; I704-F706 HydrophobicContact CG2-CE1 3.45Å; I704-F706 VanDerWaalsContact CG2-CE1 3.45Å; I704-F706 HydrophobicContact CG2-CZ 4.49Å; F706-F708 HydrophobicContact CB-CE2 4.33Å; F706-F734 HydrophobicContact CD2-CD2 4.19Å; F706-F734 AromaticContact CD2-CE2 3.39Å; F706-F734 HydrophobicContact CD2-CE2 3.39Å; F706-F734 AromaticContact CD2-CZ 3.74Å; F706-F734 HydrophobicContact CD2-CZ 3.74Å; F706-F734 AromaticContact CE2-CD2 3.86Å; F706-F734 HydrophobicContact CE2-CD2 3.86Å; F706-F734 AromaticContact CE2-CE2 3.39Å; F706-F734 HydrophobicContact CE2-CE2 3.39Å; F706-F734 HydrophobicContact CE2-CZ 4.22Å; F706-F736 HydrophobicContact CE1-CD2 4.33Å; F706-F736 HydrophobicContact CE1-CE2 4.39Å; F706-F736 HydrophobicContact CE2-CB 4.33Å; F706-F736 HydrophobicContact CE2-CD2 4.44Å; F706-F736 HydrophobicContact CE2-CG 4.45Å; F706-F736 HydrophobicContact CZ-CB 4.25Å; F706-F736 AromaticContact CZ-CD2 3.6Å; F706-F736 HydrophobicContact CZ-CD2 3.6Å; F706-F736 HydrophobicContact CZ-CE2 4.05Å; F706-F736 AromaticContact CZ-CG 3.89Å; F706-F736 HydrophobicContact CZ-CG 3.89Å; F706-K798 CarbonylContact O-C 3.58Å; F706-K798 WeakPolarHBondContact O-CA 3.42Å; F706-V799 HydrophobicContact CB-CB 4.36Å; F706-V799 PolarHBondContact N-O 3.13Å; F706-V799 PolarHBondContact O-N 3.03Å; F706-F801 HydrophobicContact CD1-CE2 4.41Å; F706-F801 HydrophobicContact CD2-CE2 4.06Å; F706-F801 HydrophobicContact CE1-CE2 4.48Å; F706-F801 HydrophobicContact CE2-CE2 4.07Å; F706-F801 HydrophobicContact CG-CE2 4.23Å; F706-F801 HydrophobicContact CZ-CE2 4.32Å; F706-M825 HydrophobicContact CD2-CE 4.3Å; F706-M825 HydrophobicContact CE2-CE 3.44Å; F706-M825 VanDerWaalsContact CE2-CE 3.44Å; F706-M825 HydrophobicContact CE2-SD 3.47Å; F706-M825 WeakPolarHBondContact CE2-SD 3.23Å; F706-M825 HydrophobicContact CZ-CE 3.89Å; F706-M825 HydrophobicContact CZ-SD 3.7Å; F706-L845 HydrophobicContact CZ-CD2 4.47Å; F706-L848 HydrophobicContact CE1-CD1 4.48Å; F706-L892 HydrophobicContact CB-CD2 4.09Å; F706-L892 HydrophobicContact CD1-CD2 3.35Å; F706-L892 HydrophobicContact CD2-CD2 4.27Å; F706-L892 HydrophobicContact CE1-CD2 3.75Å; F706-L892 HydrophobicContact CG-CD2 3.63Å; F706-L892 HydrophobicContact CZ-CD2 4.38Å |
| 707 | Q | 91.4 | Very high | 78.4 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.019 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 102.9 | -177.6 | -170.2 | -180 | 58.9 | 0 | 0 | 110.8 | E666 L709 Y797 R891 | E666-Q707 PolarHBondContact O-NE2 2.67Å; Q707-L709 HydrophobicContact CG-CD2 3.93Å; Q707-L709 PolarHBondContact O-N 3.08Å; Q707-Y797 CarbonylContact C-O 3.56Å; Q707-Y797 VanDerWaalsContact CA-O 3.32Å; Q707-Y797 WeakPolarHBondContact CA-O 3.27Å; Q707-R891 HydrophobicContact CB-CB 4.3Å; Q707-R891 PolarHBondContact N-O 2.92Å; Q707-R891 PolarHBondContact O-N 2.75Å |
| 708 | F | 92 | Very high | 76.2 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 118.7 | 177.4 | -63.1 | -99.5 | 0 | 0 | 0 | 109.4 | F706 F732 F734 T744 L767 G796 Y797 V799 I827 L888 L890 | F706-F708 HydrophobicContact CB-CE2 4.33Å; F708-F732 HydrophobicContact CB-CE2 4.18Å; F708-F732 HydrophobicContact CD1-CD1 4.36Å; F708-F732 AromaticContact CD1-CD2 3.39Å; F708-F732 HydrophobicContact CD1-CD2 3.39Å; F708-F732 HydrophobicContact CD1-CE1 4.31Å; F708-F732 AromaticContact CD1-CE2 3.31Å; F708-F732 HydrophobicContact CD1-CE2 3.31Å; F708-F732 AromaticContact CD1-CG 3.94Å; F708-F732 HydrophobicContact CD1-CG 3.94Å; F708-F732 AromaticContact CD1-CZ 3.81Å; F708-F732 HydrophobicContact CD1-CZ 3.81Å; F708-F732 HydrophobicContact CE1-CB 4.02Å; F708-F732 HydrophobicContact CE1-CD1 4.07Å; F708-F732 AromaticContact CE1-CD2 3.48Å; F708-F732 HydrophobicContact CE1-CD2 3.48Å; F708-F732 VanDerWaalsContact CE1-CD2 3.48Å; F708-F732 HydrophobicContact CE1-CE1 4.43Å; F708-F732 AromaticContact CE1-CE2 3.88Å; F708-F732 HydrophobicContact CE1-CE2 3.88Å; F708-F732 AromaticContact CE1-CG 3.58Å; F708-F732 HydrophobicContact CE1-CG 3.58Å; F708-F732 HydrophobicContact CE1-CZ 4.34Å; F708-F732 HydrophobicContact CG-CD2 4.03Å; F708-F732 AromaticContact CG-CE2 3.91Å; F708-F732 HydrophobicContact CG-CE2 3.91Å; F708-F732 HydrophobicContact CZ-CB 4.29Å; F708-F732 HydrophobicContact CZ-CD2 4.18Å; F708-F732 HydrophobicContact CZ-CG 4.29Å; F708-F734 HydrophobicContact CE2-CE1 4.06Å; F708-F734 HydrophobicContact CE2-CZ 4.33Å; F708-F734 HydrophobicContact CZ-CD1 4.21Å; F708-F734 AromaticContact CZ-CE1 3.67Å; F708-F734 HydrophobicContact CZ-CE1 3.67Å; F708-F734 HydrophobicContact CZ-CZ 4.22Å; F708-T744 HydrophobicContact CE2-CG2 4.47Å; F708-L767 HydrophobicContact CB-CD1 4.23Å; F708-G796 WeakPolarHBondContact O-CA 3.4Å; F708-Y797 HydrophobicContact CD2-CD1 4.08Å; F708-Y797 HydrophobicContact CE2-CD1 4.47Å; F708-Y797 PolarHBondContact N-O 3.47Å; F708-Y797 PolarHBondContact O-N 3.32Å; F708-Y797 VanDerWaalsContact O-N 3.13Å; F708-V799 HydrophobicContact CE2-CG2 4.45Å; F708-I827 HydrophobicContact CE1-CD1 3.99Å; F708-I827 HydrophobicContact CE1-CG2 4.35Å; F708-I827 HydrophobicContact CZ-CD1 4.09Å; F708-L888 HydrophobicContact CD1-CD1 4.37Å; F708-L888 HydrophobicContact CD1-CD2 4.2Å; F708-L888 HydrophobicContact CE1-CD2 4.17Å; F708-L890 HydrophobicContact CB-CD1 4.31Å; F708-L890 HydrophobicContact CD1-CD1 3.63Å; F708-L890 HydrophobicContact CD2-CD1 3.93Å; F708-L890 HydrophobicContact CE1-CD1 3.83Å; F708-L890 HydrophobicContact CE2-CD1 4.1Å; F708-L890 HydrophobicContact CG-CD1 3.68Å; F708-L890 HydrophobicContact CZ-CD1 4.05Å |
| 709 | L | 89.3 | Confident | 74 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -58.8 | -170.3 | -60.8 | 178.7 | 0 | 0 | 0 | 112.6 | F665 Q707 L767 T859 L889 R891 | F665-L709 HydrophobicContact CB-CD2 4.49Å; F665-L709 HydrophobicContact CD1-CD2 3.46Å; F665-L709 VanDerWaalsContact CD1-CD2 3.46Å; F665-L709 HydrophobicContact CD2-CD2 4.28Å; F665-L709 HydrophobicContact CE1-CB 4.13Å; F665-L709 HydrophobicContact CE1-CD2 3.57Å; F665-L709 HydrophobicContact CE1-CG 4.47Å; F665-L709 HydrophobicContact CE2-CD2 4.37Å; F665-L709 HydrophobicContact CG-CD2 3.84Å; F665-L709 HydrophobicContact CZ-CB 4.07Å; F665-L709 HydrophobicContact CZ-CD2 4.01Å; F665-L709 WeakPolarHBondContact CZ-O 3.35Å; Q707-L709 HydrophobicContact CG-CD2 3.93Å; Q707-L709 PolarHBondContact O-N 3.08Å; L709-L767 PolarHBondContact O-N 3.37Å; L709-L767 VanDerWaalsContact O-N 3.08Å; L709-T859 HydrophobicContact CD1-CG2 4.38Å; L709-L889 HydrophobicContact CB-CB 4.48Å; L709-L889 HydrophobicContact CB-CD2 3.96Å; L709-L889 HydrophobicContact CB-CG 4.17Å; L709-L889 HydrophobicContact CD1-CD2 4.07Å; L709-L889 HydrophobicContact CD1-CG 4.19Å; L709-L889 PolarHBondContact N-O 2.93Å; L709-R891 HydrophobicContact CD1-CB 4Å; L709-R891 HydrophobicContact CG-CB 4.36Å |
| 710 | A | 88.9 | Confident | 71.5 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 156.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F764 R765 L889 | A710-F764 HydrophobicContact CB-CB 4.2Å; A710-F764 HydrophobicContact CB-CD1 4.21Å; A710-R765 CarbonylContact C-O 3.56Å; A710-R765 WeakPolarHBondContact CA-O 3.36Å; A710-R765 WeakPolarHBondContact CB-O 3.43Å; A710-L889 HydrophobicContact CB-CB 4.05Å; A710-L889 HydrophobicContact CB-CD2 4.07Å; A710-L889 PolarHBondContact N-O 3.5Å; A710-L889 WeakPolarHBondContact O-CB 3.5Å; A710-L889 PolarHBondContact O-N 2.8Å |
| 711 | Y | 87.7 | Confident | 69.2 | Low | 13 Ų | 13 | 33.9 Ų | 33.9 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.2 | 174.4 | 164 | -97.4 | 0 | 0 | 0 | 108.9 | G713 P727 I730 I749 R765 V829 I864 | Y711-G713 VanDerWaalsContact CZ-CA 3.48Å; Y711-G713 WeakPolarHBondContact OH-CA 3.41Å; Y711-P727 HydrophobicContact CE1-CG 3.87Å; Y711-I730 HydrophobicContact CD2-CD1 4.21Å; Y711-I730 HydrophobicContact CG-CD1 4.02Å; Y711-I749 HydrophobicContact CD1-CD1 3.47Å; Y711-I749 VanDerWaalsContact CD1-CD1 3.47Å; Y711-I749 HydrophobicContact CD1-CG1 4.11Å; Y711-I749 HydrophobicContact CE1-CD1 3.78Å; Y711-I749 HydrophobicContact CG-CD1 4.33Å; Y711-R765 PolarHBondContact N-O 3.45Å; Y711-R765 PolarHBondContact O-N 2.93Å; Y711-V829 HydrophobicContact CE2-CG1 4.39Å; Y711-I864 HydrophobicContact CD2-CD1 3.75Å; Y711-I864 HydrophobicContact CE2-CD1 3.57Å |
| 712 | S | 80.7 | Confident | 66.5 | Low | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 131.5 | 160.5 | -168.4 | 0 | 0 | 0 | 0 | 108 | D762 G886 C887 | S712-D762 PolarHBondContact OG-O 2.98Å; S712-G886 CarbonylContact O-C 3.44Å; S712-G886 WeakPolarHBondContact O-CA 3.37Å; S712-C887 PolarHBondContact N-O 2.89Å; S712-C887 PolarHBondContact O-N 2.88Å |
| 713 | G | 68.6 | Low | 63.8 | Low | 14 Ų | 14 | 35.5 Ų | 35.5 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 126 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | Y711 V715 | Y711-G713 VanDerWaalsContact CZ-CA 3.48Å; Y711-G713 WeakPolarHBondContact OH-CA 3.41Å; G713-V715 PolarHBondContact O-N 3.4Å |
| 714 | F | 56.6 | Low | 61.4 | Low | 72 Ų | 72 | 42.7 Ų | 42.7 | 32% | 0.316 | 26% | 0.264 | S | S | . | . | trans | -64.4 | 104 | 172.2 | -85.4 | -81.9 | 0 | 0 | 0 | 107.8 | S716 D762 I884 Q885 | F714-S716 PolarHBondContact O-N 3Å; F714-D762 WeakPolarHBondContact CD1-OD1 3.39Å; F714-D762 HydrophobicContact CE1-CB 4.48Å; F714-D762 WeakPolarHBondContact CE1-OD1 3.44Å; F714-I884 HydrophobicContact CD2-CG2 3.96Å; F714-I884 WeakPolarHBondContact CD2-O 3.43Å; F714-I884 HydrophobicContact CE2-CB 4.5Å; F714-I884 HydrophobicContact CE2-CG2 3.69Å; F714-Q885 PolarHBondContact N-O 2.9Å | ||
| 715 | V | 46.7 | Very low | 59.6 | Low | 32 Ų | 32 | 45.3 Ų | 45.3 | 19% | 0.194 | 28% | 0.277 | C | S | . | . | trans | -61.1 | 113.3 | 171.2 | 176.8 | 0 | 0 | 0 | 0 | 106.3 | G713 R717 | G713-V715 PolarHBondContact O-N 3.4Å; V715-R717 WeakPolarHBondContact O-CA 3.22Å; V715-R717 PolarHBondContact O-N 3.24Å | ||
| 716 | S | 42.3 | Very low | 58.2 | Low | 74 Ų | 74 | 46 Ų | 46 | 52% | 0.517 | 28% | 0.283 | S | S | . | . | trans | -44.5 | 116.7 | 176.9 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | F714 S718 | F714-S716 PolarHBondContact O-N 3Å; S716-S718 PolarHBondContact O-N 3.02Å; S716-S718 PolarHBondContact O-OG 2.54Å | ||
| 717 | R | 42.8 | Very low | 57.4 | Low | 98 Ų | 98 | 46.7 Ų | 46.7 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -71.1 | 13.8 | -139.4 | -150.4 | 173 | -178.6 | -177.3 | 4.4 | 115.6 | V715 S719 N760 D1501 | V715-R717 WeakPolarHBondContact O-CA 3.22Å; V715-R717 PolarHBondContact O-N 3.24Å; R717-S719 PolarHBondContact O-N 2.85Å; R717-N760 PolarHBondContact NH2-OD1 2.72Å; R717-D1501 HydrophobicContact CB-CB 3.81Å; R717-D1501 HydrophobicContact CG-CB 3.56Å |
| 718 | S | 34.3 | Very low | 56.9 | Low | 27 Ų | 27 | 49.2 Ų | 49.2 | 19% | 0.189 | 30% | 0.299 | C | S | . | . | trans | -74.4 | 103.1 | 159.4 | 51.1 | 0 | 0 | 0 | 0 | 112 | S716 K1426 S1500 | S716-S718 PolarHBondContact O-N 3.02Å; S716-S718 PolarHBondContact O-OG 2.54Å; S718-K1426 PolarHBondContact OG-NZ 2.98Å; S718-S1500 WeakPolarHBondContact CA-OG 3.44Å; S718-S1500 WeakPolarHBondContact CB-OG 3.41Å | ||
| 719 | S | 30.4 | Very low | 56.7 | Low | 84 Ų | 84 | 50.7 Ų | 50.7 | 59% | 0.587 | 31% | 0.306 | S | S | * | . | trans | -135.9 | 95.8 | 167.6 | -78.3 | 0 | 0 | 0 | 0 | 111.1 | R717 | R717-S719 PolarHBondContact O-N 2.85Š| ||
| 720 | S | 30.4 | Very low | 56.8 | Low | 97 Ų | 97 | 50.6 Ų | 50.6 | 68% | 0.678 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -142.2 | -9.3 | 166.1 | 58.9 | 0 | 0 | 0 | 0 | 114 | ||
| 721 | T | 29.8 | Very low | 57 | Low | 111 Ų | 111 | 52 Ų | 52 | 68% | 0.681 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -146.4 | 90.7 | 179.6 | 48.7 | 0 | 0 | 0 | 0 | 112.7 | G723 | T721-G723 VanDerWaalsContact C-N 3.29Å; T721-G723 PolarHBondContact O-N 2.88Å |
| 722 | G | 26.9 | Very low | 57.2 | Low | 62 Ų | 62 | 51.4 Ų | 51.4 | 64% | 0.639 | 31% | 0.309 | S | S | * | . | trans | 61.3 | -13.5 | 148.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | H724 | G722-H724 PolarHBondContact O-N 3.24Š| ||
| 723 | G | 32.5 | Very low | 57.7 | Low | 31 Ų | 31 | 51.6 Ų | 51.6 | 32% | 0.32 | 31% | 0.31 | S | S | . | . | trans | -77.6 | 112 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T721 N725 | T721-G723 VanDerWaalsContact C-N 3.29Å; T721-G723 PolarHBondContact O-N 2.88Å; G723-N725 VanDerWaalsContact C-N 3.28Å; G723-N725 PolarHBondContact O-N 3.05Å | ||
| 724 | H | 41.3 | Very low | 58.7 | Low | 167 Ų | 167 | 51.1 Ų | 51.1 | 77% | 0.773 | 30% | 0.304 | S | S | * | . | trans | -77 | 65 | 176.1 | -84.5 | -94.9 | 0 | 0 | 0 | 113.1 | G722 S726 | G722-H724 PolarHBondContact O-N 3.24Å; H724-S726 VanDerWaalsContact C-N 3.33Å; H724-S726 PolarHBondContact O-N 2.81Å | ||
| 725 | N | 53.8 | Low | 60.1 | Low | 54 Ų | 54 | 49.4 Ų | 49.4 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | trans | -83.3 | -2.7 | -176.8 | -67.9 | 13.8 | 0 | 0 | 0 | 114.8 | G723 N1385 | G723-N725 VanDerWaalsContact C-N 3.28Å; G723-N725 PolarHBondContact O-N 3.05Å; N725-N1385 PolarHBondContact ND2-ND2 2.94Å; N725-N1385 VanDerWaalsContact ND2-ND2 3.11Å; N725-N1385 PolarHBondContact ND2-OD1 2.84Å | ||
| 726 | S | 63.3 | Low | 62.1 | Low | 23 Ų | 23 | 47.9 Ų | 47.9 | 16% | 0.161 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -68.3 | 131.4 | 167.9 | 59.9 | 0 | 0 | 0 | 0 | 109.7 | H724 E728 R765 | H724-S726 VanDerWaalsContact C-N 3.33Å; H724-S726 PolarHBondContact O-N 2.81Å; S726-E728 PolarHBondContact O-N 3.26Å; S726-R765 PolarHBondContact OG-NH1 2.74Å |
| 727 | P | 75.5 | Confident | 64.2 | Low | 14 Ų | 14 | 44.8 Ų | 44.8 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | trans | -56.5 | 139 | -177.8 | 22.7 | -33.5 | 0 | 0 | 0 | 111.6 | Y711 I730 I749 L838 | Y711-P727 HydrophobicContact CE1-CG 3.87Å; P727-I730 HydrophobicContact CB-CG2 4.06Å; P727-I730 HydrophobicContact CG-CG2 4.05Å; P727-I749 HydrophobicContact CB-CD1 4.31Å; P727-I749 HydrophobicContact CG-CD1 3.9Å; P727-I749 WeakPolarHBondContact O-CD1 3.47Å; P727-L838 HydrophobicContact CB-CD1 4.31Å; P727-L838 HydrophobicContact CG-CD1 3.88Å | ||
| 728 | E | 80.8 | Confident | 66.2 | Low | 57 Ų | 57 | 41.8 Ų | 41.8 | 27% | 0.266 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -75.7 | -35 | 175.2 | -76.4 | -151.2 | 96.8 | 0 | 0 | 112.9 | S726 I749 R774 K833 | S726-E728 PolarHBondContact O-N 3.26Å; E728-I749 PolarHBondContact O-N 2.92Å; E728-R774 PolarHBondContact O-NH2 2.85Å; E728-R774 IonicContact OE1-CZ 2.79Å; E728-R774 IonicContact OE1-NH1 3.68Å; E728-R774 PolarHBondContact OE1-NH1 3.39Å; E728-R774 IonicContact OE1-NH2 2.67Å; E728-K833 VanDerWaalsContact OE2-CE 3.24Å; E728-K833 WeakPolarHBondContact OE2-CE 3.24Å; E728-K833 IonicContact OE2-NZ 2.73Å; E728-K833 PolarHBondContact OE2-NZ 3.46Å |
| 729 | Q | 88.6 | Confident | 68.5 | Low | 31 Ų | 31 | 41.8 Ų | 41.8 | 15% | 0.145 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 138.9 | -170.6 | -67.8 | 170 | 57.3 | 0 | 0 | 109.1 | L747 F748 A832 | Q729-L747 CarbonylContact C-O 3.53Å; Q729-L747 WeakPolarHBondContact CA-O 3.1Å; Q729-F748 HydrophobicContact CG-CD1 3.53Å; Q729-F748 HydrophobicContact CG-CE1 3.57Å; Q729-F748 HydrophobicContact CG-CG 4.11Å; Q729-F748 HydrophobicContact CG-CZ 4.18Å; Q729-A832 HydrophobicContact CB-CB 3.72Å; Q729-A832 PolarHBondContact O-N 3.44Å |
| 730 | I | 91.5 | Very high | 70.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 160.9 | 177 | 59.2 | 172.2 | 0 | 0 | 0 | 111.3 | Y711 P727 F732 L747 I749 L767 V829 W830 L838 | Y711-I730 HydrophobicContact CD2-CD1 4.21Å; Y711-I730 HydrophobicContact CG-CD1 4.02Å; P727-I730 HydrophobicContact CB-CG2 4.06Å; P727-I730 HydrophobicContact CG-CG2 4.05Å; I730-F732 HydrophobicContact CD1-CE1 4.03Å; I730-F732 HydrophobicContact CD1-CE2 4.2Å; I730-F732 HydrophobicContact CD1-CZ 3.51Å; I730-F732 HydrophobicContact CG1-CZ 4.37Å; I730-L747 PolarHBondContact N-O 3.02Å; I730-L747 PolarHBondContact O-N 2.9Å; I730-I749 HydrophobicContact CD1-CD1 4.22Å; I730-I749 HydrophobicContact CD1-CG1 4.46Å; I730-I749 HydrophobicContact CG1-CD1 4.17Å; I730-I749 HydrophobicContact CG1-CG1 4.36Å; I730-I749 HydrophobicContact CG2-CD1 3.76Å; I730-L767 HydrophobicContact CD1-CD1 4.47Å; I730-L767 HydrophobicContact CD1-CD2 3.82Å; I730-L767 HydrophobicContact CG1-CD2 4.15Å; I730-V829 HydrophobicContact CD1-CG1 4.38Å; I730-W830 CarbonylContact C-O 3.58Å; I730-W830 WeakPolarHBondContact CA-O 3.37Å; I730-W830 VanDerWaalsContact CB-O 3.26Å; I730-W830 WeakPolarHBondContact CB-O 3.42Å; I730-W830 WeakPolarHBondContact CG2-O 3.46Å; I730-L838 HydrophobicContact CG2-CD1 3.83Å |
| 731 | Y | 92.1 | Very high | 73.2 | Confident | 30 Ų | 30 | 35.1 Ų | 35.1 | 12% | 0.118 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 160.3 | 162.4 | 65.3 | -92.8 | 0 | 0 | 0 | 109.8 | T733 V743 W830 A832 H835 | Y731-T733 HydrophobicContact CD2-CG2 3.99Å; Y731-T733 HydrophobicContact CE2-CG2 3.8Å; Y731-V743 HydrophobicContact CD2-CG1 3.93Å; Y731-V743 HydrophobicContact CE2-CG1 4.23Å; Y731-W830 HydrophobicContact CD1-CB 3.96Å; Y731-W830 HydrophobicContact CD2-CB 3.89Å; Y731-W830 AromaticContact CD2-CD1 3.83Å; Y731-W830 HydrophobicContact CD2-CG 4.02Å; Y731-W830 HydrophobicContact CE1-CB 3.6Å; Y731-W830 HydrophobicContact CE1-CG 4.29Å; Y731-W830 HydrophobicContact CE2-CB 3.52Å; Y731-W830 AromaticContact CE2-CD1 3.4Å; Y731-W830 VanDerWaalsContact CE2-CD1 3.4Å; Y731-W830 HydrophobicContact CE2-CD2 4.05Å; Y731-W830 AromaticContact CE2-CG 3.38Å; Y731-W830 HydrophobicContact CE2-CG 3.38Å; Y731-W830 AromaticContact CE2-NE1 3.99Å; Y731-W830 HydrophobicContact CG-CB 4.09Å; Y731-W830 AromaticContact CZ-CG 3.54Å; Y731-W830 PolarHBondContact N-O 2.91Å; Y731-W830 PolarHBondContact O-N 2.93Å; Y731-A832 HydrophobicContact CD1-CB 3.89Å; Y731-H835 AromaticContact CE1-ND1 3.66Å; Y731-H835 AromaticContact CZ-ND1 3.78Å; Y731-H835 PolarHBondContact OH-ND1 3.32Å; Y731-H835 VanDerWaalsContact OH-ND1 3.11Å |
| 732 | F | 92.2 | Very high | 75.8 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 145.3 | 179.2 | -55 | -75.7 | 0 | 0 | 0 | 110.5 | F708 I730 V743 T744 L747 L767 I827 D828 V829 L888 | F708-F732 HydrophobicContact CB-CE2 4.18Å; F708-F732 HydrophobicContact CD1-CD1 4.36Å; F708-F732 AromaticContact CD1-CD2 3.39Å; F708-F732 HydrophobicContact CD1-CD2 3.39Å; F708-F732 HydrophobicContact CD1-CE1 4.31Å; F708-F732 AromaticContact CD1-CE2 3.31Å; F708-F732 HydrophobicContact CD1-CE2 3.31Å; F708-F732 AromaticContact CD1-CG 3.94Å; F708-F732 HydrophobicContact CD1-CG 3.94Å; F708-F732 AromaticContact CD1-CZ 3.81Å; F708-F732 HydrophobicContact CD1-CZ 3.81Å; F708-F732 HydrophobicContact CE1-CB 4.02Å; F708-F732 HydrophobicContact CE1-CD1 4.07Å; F708-F732 AromaticContact CE1-CD2 3.48Å; F708-F732 HydrophobicContact CE1-CD2 3.48Å; F708-F732 VanDerWaalsContact CE1-CD2 3.48Å; F708-F732 HydrophobicContact CE1-CE1 4.43Å; F708-F732 AromaticContact CE1-CE2 3.88Å; F708-F732 HydrophobicContact CE1-CE2 3.88Å; F708-F732 AromaticContact CE1-CG 3.58Å; F708-F732 HydrophobicContact CE1-CG 3.58Å; F708-F732 HydrophobicContact CE1-CZ 4.34Å; F708-F732 HydrophobicContact CG-CD2 4.03Å; F708-F732 AromaticContact CG-CE2 3.91Å; F708-F732 HydrophobicContact CG-CE2 3.91Å; F708-F732 HydrophobicContact CZ-CB 4.29Å; F708-F732 HydrophobicContact CZ-CD2 4.18Å; F708-F732 HydrophobicContact CZ-CG 4.29Å; I730-F732 HydrophobicContact CD1-CE1 4.03Å; I730-F732 HydrophobicContact CD1-CE2 4.2Å; I730-F732 HydrophobicContact CD1-CZ 3.51Å; I730-F732 HydrophobicContact CG1-CZ 4.37Å; F732-V743 WeakPolarHBondContact O-CA 3.47Å; F732-T744 HydrophobicContact CB-CG2 3.86Å; F732-T744 HydrophobicContact CD2-CG2 4.18Å; F732-T744 PolarHBondContact N-OG1 2.85Å; F732-T744 PolarHBondContact O-N 2.96Å; F732-L747 HydrophobicContact CD2-CD1 4.26Å; F732-L747 HydrophobicContact CE2-CD1 3.88Å; F732-L767 HydrophobicContact CE2-CD1 3.99Å; F732-L767 HydrophobicContact CZ-CD1 4Å; F732-I827 HydrophobicContact CB-CG2 3.79Å; F732-I827 HydrophobicContact CD1-CG2 3.95Å; F732-I827 HydrophobicContact CG-CG2 4.21Å; F732-D828 WeakPolarHBondContact CA-O 3.44Å; F732-V829 HydrophobicContact CD1-CB 4.34Å; F732-V829 HydrophobicContact CD1-CG1 4.16Å; F732-V829 HydrophobicContact CD1-CG2 3.94Å; F732-V829 HydrophobicContact CE1-CB 4.33Å; F732-V829 HydrophobicContact CE1-CG1 3.77Å; F732-V829 HydrophobicContact CE1-CG2 3.9Å; F732-L888 HydrophobicContact CD1-CD2 4.34Å; F732-L888 HydrophobicContact CE1-CD1 3.63Å; F732-L888 HydrophobicContact CE1-CD2 3.88Å; F732-L888 HydrophobicContact CE1-CG 4.4Å; F732-L888 HydrophobicContact CE2-CD1 4.47Å; F732-L888 HydrophobicContact CZ-CD1 3.46Å; F732-L888 VanDerWaalsContact CZ-CD1 3.46Å; F732-L888 HydrophobicContact CZ-CD2 4.38Å |
| 733 | T | 90.7 | Very high | 78.8 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 128.3 | 168.6 | 64.5 | 0 | 0 | 0 | 0 | 110.5 | Y731 V742 V743 D828 W830 | Y731-T733 HydrophobicContact CD2-CG2 3.99Å; Y731-T733 HydrophobicContact CE2-CG2 3.8Å; T733-V742 WeakPolarHBondContact CA-O 3.21Å; T733-V743 HydrophobicContact CG2-CB 4.31Å; T733-V743 HydrophobicContact CG2-CG1 4.03Å; T733-V743 HydrophobicContact CG2-CG2 3.83Å; T733-D828 PolarHBondContact N-O 3.42Å; T733-D828 PolarHBondContact O-N 3.5Å; T733-D828 PolarHBondContact OG1-OD2 3.2Å; T733-W830 PolarHBondContact OG1-NE1 3.09Å |
| 734 | F | 89.4 | Confident | 81.4 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 1% | 0.013 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 161 | -179.6 | 63.9 | -82.3 | 0 | 0 | 0 | 110.7 | F706 F708 Q741 V742 T744 V799 F801 M825 Q826 I827 | F706-F734 HydrophobicContact CD2-CD2 4.19Å; F706-F734 AromaticContact CD2-CE2 3.39Å; F706-F734 HydrophobicContact CD2-CE2 3.39Å; F706-F734 AromaticContact CD2-CZ 3.74Å; F706-F734 HydrophobicContact CD2-CZ 3.74Å; F706-F734 AromaticContact CE2-CD2 3.86Å; F706-F734 HydrophobicContact CE2-CD2 3.86Å; F706-F734 AromaticContact CE2-CE2 3.39Å; F706-F734 HydrophobicContact CE2-CE2 3.39Å; F706-F734 HydrophobicContact CE2-CZ 4.22Å; F708-F734 HydrophobicContact CE2-CE1 4.06Å; F708-F734 HydrophobicContact CE2-CZ 4.33Å; F708-F734 HydrophobicContact CZ-CD1 4.21Å; F708-F734 AromaticContact CZ-CE1 3.67Å; F708-F734 HydrophobicContact CZ-CE1 3.67Å; F708-F734 HydrophobicContact CZ-CZ 4.22Å; F734-Q741 WeakPolarHBondContact O-CG 3.31Å; F734-V742 HydrophobicContact CD1-CB 4.42Å; F734-V742 HydrophobicContact CE1-CB 3.99Å; F734-V742 HydrophobicContact CE1-CG1 3.83Å; F734-V742 HydrophobicContact CE2-CB 4.21Å; F734-V742 HydrophobicContact CE2-CG2 4.46Å; F734-V742 HydrophobicContact CZ-CB 3.87Å; F734-V742 HydrophobicContact CZ-CG1 3.84Å; F734-V742 HydrophobicContact CZ-CG2 4.4Å; F734-V742 PolarHBondContact N-O 2.71Å; F734-V742 VanDerWaalsContact N-O 3.09Å; F734-V742 PolarHBondContact O-N 3.16Å; F734-T744 HydrophobicContact CE1-CG2 4.16Å; F734-V799 HydrophobicContact CZ-CG2 4.24Å; F734-F801 HydrophobicContact CE2-CE2 4.11Å; F734-F801 AromaticContact CE2-CZ 3.8Å; F734-F801 HydrophobicContact CE2-CZ 3.8Å; F734-F801 HydrophobicContact CZ-CZ 4.31Å; F734-M825 HydrophobicContact CD2-CE 4.38Å; F734-M825 HydrophobicContact CD2-SD 4.01Å; F734-Q826 WeakPolarHBondContact CB-O 3.38Å; F734-I827 HydrophobicContact CB-CB 4.29Å; F734-I827 HydrophobicContact CB-CG1 3.89Å; F734-I827 HydrophobicContact CB-CG2 4.29Å; F734-I827 HydrophobicContact CD1-CG2 4.32Å; F734-I827 HydrophobicContact CG-CG1 4.29Å |
| 735 | Q | 86.9 | Confident | 83.4 | Confident | 37 Ų | 37 | 20 Ų | 20 | 17% | 0.173 | 10% | 0.102 | C | C | . | . | trans | -123.2 | 132.2 | 169.3 | -175.2 | 174.1 | -41.1 | 0 | 0 | 109.7 | Y737 F739 I1237 | Q735-Y737 PolarHBondContact NE2-O 3.07Å; Q735-F739 VanDerWaalsContact CG-O 3.3Å; Q735-F739 WeakPolarHBondContact CG-O 3.22Å; Q735-I1237 VanDerWaalsContact OE1-CD1 3.29Å | ||
| 736 | F | 88.5 | Confident | 85 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -112.1 | 121.1 | 176.2 | 177.6 | -116.5 | 0 | 0 | 0 | 109.7 | I704 F706 R738 F739 F801 I803 F816 Y819 L820 M825 L845 | I704-F736 HydrophobicContact CB-CE1 3.98Å; I704-F736 HydrophobicContact CB-CZ 4.13Å; I704-F736 HydrophobicContact CG1-CE1 3.97Å; I704-F736 HydrophobicContact CG1-CZ 3.88Å; I704-F736 HydrophobicContact CG2-CE1 3.87Å; I704-F736 HydrophobicContact CG2-CE2 4.41Å; I704-F736 HydrophobicContact CG2-CZ 3.72Å; F706-F736 HydrophobicContact CE1-CD2 4.33Å; F706-F736 HydrophobicContact CE1-CE2 4.39Å; F706-F736 HydrophobicContact CE2-CB 4.33Å; F706-F736 HydrophobicContact CE2-CD2 4.44Å; F706-F736 HydrophobicContact CE2-CG 4.45Å; F706-F736 HydrophobicContact CZ-CB 4.25Å; F706-F736 AromaticContact CZ-CD2 3.6Å; F706-F736 HydrophobicContact CZ-CD2 3.6Å; F706-F736 HydrophobicContact CZ-CE2 4.05Å; F706-F736 AromaticContact CZ-CG 3.89Å; F706-F736 HydrophobicContact CZ-CG 3.89Å; F736-R738 PolarHBondContact O-N 2.9Å; F736-F739 HydrophobicContact CD1-CD2 4.05Å; F736-F739 HydrophobicContact CD1-CE2 4.37Å; F736-F739 WeakPolarHBondContact O-CB 3.49Å; F736-F739 WeakPolarHBondContact O-CD2 3.26Å; F736-F739 PolarHBondContact O-N 3.34Å; F736-F739 VanDerWaalsContact O-N 3.1Å; F736-F801 HydrophobicContact CB-CE1 4.24Å; F736-F801 HydrophobicContact CB-CE2 4.04Å; F736-F801 HydrophobicContact CB-CZ 3.85Å; F736-F801 HydrophobicContact CD1-CB 4.11Å; F736-F801 HydrophobicContact CD1-CD1 4Å; F736-F801 AromaticContact CD1-CD2 3.58Å; F736-F801 HydrophobicContact CD1-CD2 3.58Å; F736-F801 HydrophobicContact CD1-CE1 4.28Å; F736-F801 AromaticContact CD1-CE2 3.89Å; F736-F801 HydrophobicContact CD1-CE2 3.89Å; F736-F801 AromaticContact CD1-CG 3.64Å; F736-F801 HydrophobicContact CD1-CG 3.64Å; F736-F801 HydrophobicContact CD1-CZ 4.22Å; F736-F801 HydrophobicContact CE1-CB 4.11Å; F736-F801 HydrophobicContact CE1-CD2 4.09Å; F736-F801 HydrophobicContact CE1-CG 4.12Å; F736-F801 HydrophobicContact CG-CD2 4.32Å; F736-F801 HydrophobicContact CG-CE2 4.19Å; F736-F801 HydrophobicContact CG-CZ 4.42Å; F736-I803 HydrophobicContact CE1-CD1 3.98Å; F736-F816 HydrophobicContact CZ-CE2 4.19Å; F736-Y819 AromaticContact CD2-CE1 3.86Å; F736-Y819 HydrophobicContact CD2-CE1 3.86Å; F736-Y819 AromaticContact CE2-CE1 3.74Å; F736-Y819 HydrophobicContact CE2-CE1 3.74Å; F736-L820 HydrophobicContact CE2-CD2 4Å; F736-L820 HydrophobicContact CZ-CD2 4.09Å; F736-M825 HydrophobicContact CB-SD 4.33Å; F736-M825 HydrophobicContact CD2-SD 4.25Å; F736-L845 HydrophobicContact CD2-CD1 4.22Å; F736-L845 HydrophobicContact CE2-CD1 4.02Å; F736-L845 HydrophobicContact CE2-CD2 4.44Å | ||
| 737 | Y | 87.3 | Confident | 86.3 | Confident | 8 Ų | 8 | 19.4 Ų | 19.4 | 3% | 0.031 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | -131.8 | -179.3 | -169.2 | -118.8 | 0 | 0 | 0 | 112.1 | Q735 E812 F816 Y819 I1236 | Q735-Y737 PolarHBondContact NE2-O 3.07Å; Y737-E812 WeakPolarHBondContact OH-CG 2.9Å; Y737-E812 PolarHBondContact OH-O 2.7Å; Y737-F816 HydrophobicContact CD1-CD2 4.01Å; Y737-F816 AromaticContact CD2-CD2 3.96Å; Y737-F816 HydrophobicContact CD2-CD2 3.96Å; Y737-F816 HydrophobicContact CE1-CB 4.46Å; Y737-F816 HydrophobicContact CE1-CD2 4.07Å; Y737-F816 HydrophobicContact CE2-CB 4.08Å; Y737-F816 AromaticContact CE2-CD2 3.99Å; Y737-F816 HydrophobicContact CE2-CD2 3.99Å; Y737-F816 AromaticContact CG-CD2 3.97Å; Y737-F816 HydrophobicContact CG-CD2 3.97Å; Y737-F816 HydrophobicContact CG-CE2 4.46Å; Y737-Y819 AromaticContact CD2-CD1 3.59Å; Y737-Y819 HydrophobicContact CD2-CD1 3.59Å; Y737-Y819 HydrophobicContact CD2-CD2 4.38Å; Y737-Y819 HydrophobicContact CD2-CE1 4.15Å; Y737-Y819 AromaticContact CD2-CG 3.72Å; Y737-Y819 HydrophobicContact CD2-CG 3.72Å; Y737-Y819 HydrophobicContact CE2-CG 4.42Å; Y737-Y819 HydrophobicContact CG-CD1 4.22Å; Y737-Y819 HydrophobicContact CG-CE1 4.41Å; Y737-Y819 VanDerWaalsContact N-CZ 3.26Å; Y737-Y819 PolarHBondContact N-OH 3.36Å; Y737-I1236 HydrophobicContact CD2-CD1 4.08Å; Y737-I1236 HydrophobicContact CD2-CG1 3.93Å; Y737-I1236 HydrophobicContact CE2-CD1 3.45Å; Y737-I1236 VanDerWaalsContact CE2-CD1 3.45Å; Y737-I1236 HydrophobicContact CE2-CG1 3.74Å |
| 738 | R | 84 | Confident | 86.9 | Confident | 35 Ų | 35 | 20.1 Ų | 20.1 | 13% | 0.132 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 8.4 | 178.4 | -62.4 | -177.7 | 128.5 | 176.6 | 0.4 | 113.9 | F736 E812 S1070 P1234 I1236 | F736-R738 PolarHBondContact O-N 2.9Å; R738-E812 WeakPolarHBondContact CD-OE1 3.33Å; R738-E812 IonicContact CZ-OE1 3.99Å; R738-E812 IonicContact NE-OE1 3.09Å; R738-E812 IonicContact NH1-OE1 3.32Å; R738-E812 PolarHBondContact NH1-OE1 3Å; R738-E812 IonicContact NH1-OE2 2.87Å; R738-S1070 PolarHBondContact NH2-OG 3.48Å; R738-P1234 HydrophobicContact CB-CB 4.28Å; R738-P1234 PolarHBondContact NE-O 2.96Å; R738-P1234 WeakPolarHBondContact O-CB 3.47Å; R738-P1234 WeakPolarHBondContact O-CG 3.44Å; R738-I1236 HydrophobicContact CG-CG1 3.65Å |
| 739 | F | 82.3 | Confident | 87.1 | Confident | 27 Ų | 27 | 17.6 Ų | 17.6 | 12% | 0.118 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -74.3 | 155 | 174.9 | -69.7 | -83.3 | 0 | 0 | 0 | 111.1 | Q735 F736 F801 I803 L1192 | Q735-F739 VanDerWaalsContact CG-O 3.3Å; Q735-F739 WeakPolarHBondContact CG-O 3.22Å; F736-F739 HydrophobicContact CD1-CD2 4.05Å; F736-F739 HydrophobicContact CD1-CE2 4.37Å; F736-F739 WeakPolarHBondContact O-CB 3.49Å; F736-F739 WeakPolarHBondContact O-CD2 3.26Å; F736-F739 PolarHBondContact O-N 3.34Å; F736-F739 VanDerWaalsContact O-N 3.1Å; F739-F801 HydrophobicContact CB-CD1 4.23Å; F739-F801 HydrophobicContact CB-CE1 4.12Å; F739-F801 HydrophobicContact CD1-CD1 4.06Å; F739-F801 HydrophobicContact CD2-CB 4.43Å; F739-F801 AromaticContact CD2-CD1 3.67Å; F739-F801 HydrophobicContact CD2-CD1 3.67Å; F739-F801 HydrophobicContact CD2-CE1 4.3Å; F739-F801 HydrophobicContact CD2-CG 4.34Å; F739-F801 HydrophobicContact CE1-CD1 4.35Å; F739-F801 HydrophobicContact CE2-CB 3.92Å; F739-F801 AromaticContact CE2-CD1 4Å; F739-F801 HydrophobicContact CE2-CD1 4Å; F739-F801 HydrophobicContact CE2-CG 4.32Å; F739-F801 AromaticContact CG-CD1 3.71Å; F739-F801 HydrophobicContact CG-CD1 3.71Å; F739-F801 HydrophobicContact CG-CE1 4.12Å; F739-F801 HydrophobicContact CZ-CB 4.09Å; F739-F801 HydrophobicContact CZ-CD1 4.32Å; F739-I803 HydrophobicContact CE2-CD1 3.95Å; F739-I803 HydrophobicContact CE2-CG1 3.8Å; F739-I803 HydrophobicContact CZ-CG1 3.86Å; F739-L1192 HydrophobicContact CD1-CD2 3.71Å; F739-L1192 HydrophobicContact CE1-CD2 4.13Å |
| 740 | P | 78 | Confident | 86.7 | Confident | 13 Ų | 13 | 16.7 Ų | 16.7 | 8% | 0.084 | 9% | 0.089 | C | C | . | . | P | Polyproline II helix | trans | -48.1 | 150.6 | 165.3 | -30.9 | 38.6 | 0 | 0 | 0 | 113 | V742 C1180 F1195 | P740-V742 PolarHBondContact O-N 2.88Å; P740-C1180 WeakPolarHBondContact CB-O 3.36Å; P740-C1180 HydrophobicContact CG-CB 4.45Å; P740-F1195 HydrophobicContact CG-CZ 4.48Å |
| 741 | Q | 81.9 | Confident | 85.9 | Confident | 28 Ų | 28 | 19 Ų | 19 | 13% | 0.131 | 10% | 0.1 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 121.6 | 172 | -175.8 | -177.5 | 80.2 | 0 | 0 | 109.8 | F734 | F734-Q741 WeakPolarHBondContact O-CG 3.31Š|
| 742 | V | 85.1 | Confident | 85.2 | Confident | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.012 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 131.4 | 177.1 | 177.6 | 0 | 0 | 0 | 0 | 108.8 | T733 F734 P740 V799 F801 | T733-V742 WeakPolarHBondContact CA-O 3.21Å; F734-V742 HydrophobicContact CD1-CB 4.42Å; F734-V742 HydrophobicContact CE1-CB 3.99Å; F734-V742 HydrophobicContact CE1-CG1 3.83Å; F734-V742 HydrophobicContact CE2-CB 4.21Å; F734-V742 HydrophobicContact CE2-CG2 4.46Å; F734-V742 HydrophobicContact CZ-CB 3.87Å; F734-V742 HydrophobicContact CZ-CG1 3.84Å; F734-V742 HydrophobicContact CZ-CG2 4.4Å; F734-V742 PolarHBondContact N-O 2.71Å; F734-V742 VanDerWaalsContact N-O 3.09Å; F734-V742 PolarHBondContact O-N 3.16Å; P740-V742 PolarHBondContact O-N 2.88Å; V742-V799 HydrophobicContact CG1-CG2 4.38Å; V742-F801 HydrophobicContact CG2-CE1 3.88Å; V742-F801 HydrophobicContact CG2-CZ 3.84Å |
| 743 | V | 88.2 | Confident | 84.1 | Confident | 13 Ų | 13 | 19.5 Ų | 19.5 | 8% | 0.079 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 116.9 | 168.4 | -179.1 | 0 | 0 | 0 | 0 | 105.8 | Y731 F732 T733 Q1183 Y1184 | Y731-V743 HydrophobicContact CD2-CG1 3.93Å; Y731-V743 HydrophobicContact CE2-CG1 4.23Å; F732-V743 WeakPolarHBondContact O-CA 3.47Å; T733-V743 HydrophobicContact CG2-CB 4.31Å; T733-V743 HydrophobicContact CG2-CG1 4.03Å; T733-V743 HydrophobicContact CG2-CG2 3.83Å; V743-Q1183 HydrophobicContact CB-CB 4.47Å; V743-Q1183 HydrophobicContact CB-CG 4.4Å; V743-Q1183 HydrophobicContact CG2-CG 4.01Å; V743-Y1184 VanDerWaalsContact O-O 3.1Å |
| 744 | T | 87.9 | Confident | 83 | Confident | 6 Ų | 6 | 22 Ų | 22 | 4% | 0.037 | 12% | 0.12 | C | C | . | . | P | Polyproline II helix | trans | -72 | 155.6 | -174.6 | 70.1 | 0 | 0 | 0 | 0 | 111.4 | F708 F732 F734 Y797 | F708-T744 HydrophobicContact CE2-CG2 4.47Å; F732-T744 HydrophobicContact CB-CG2 3.86Å; F732-T744 HydrophobicContact CD2-CG2 4.18Å; F732-T744 PolarHBondContact N-OG1 2.85Å; F732-T744 PolarHBondContact O-N 2.96Å; F734-T744 HydrophobicContact CE1-CG2 4.16Å; T744-Y797 HydrophobicContact CG2-CD1 3.85Å; T744-Y797 HydrophobicContact CG2-CE1 3.47Å; T744-Y797 VanDerWaalsContact CG2-CE1 3.47Å |
| 745 | S | 83.3 | Confident | 81.2 | Confident | 32 Ų | 32 | 28.2 Ų | 28.2 | 22% | 0.224 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -55 | 158.7 | 162.2 | 71.3 | 0 | 0 | 0 | 0 | 111.1 | L747 Y797 D1185 | S745-L747 PolarHBondContact O-N 3.07Å; S745-Y797 PolarHBondContact N-OH 2.71Å; S745-Y797 WeakPolarHBondContact OG-CE2 3.46Å; S745-D1185 WeakPolarHBondContact CB-O 3.19Å |
| 746 | T | 87.9 | Confident | 79.2 | Confident | 65 Ų | 65 | 31.5 Ų | 31.5 | 40% | 0.399 | 18% | 0.18 | S | C | . | . | P | Polyproline II helix | trans | -71.3 | 128.2 | 179.1 | 54.8 | 0 | 0 | 0 | 0 | 110.9 | A832 | T746-A832 HydrophobicContact CG2-CB 3.71Š|
| 747 | L | 89.4 | Confident | 77.1 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.9 | -174.6 | -55.8 | 178.9 | 0 | 0 | 0 | 110.7 | Q729 I730 F732 S745 L767 W768 K769 Y797 | Q729-L747 CarbonylContact C-O 3.53Å; Q729-L747 WeakPolarHBondContact CA-O 3.1Å; I730-L747 PolarHBondContact N-O 3.02Å; I730-L747 PolarHBondContact O-N 2.9Å; F732-L747 HydrophobicContact CD2-CD1 4.26Å; F732-L747 HydrophobicContact CE2-CD1 3.88Å; S745-L747 PolarHBondContact O-N 3.07Å; L747-L767 HydrophobicContact CD1-CD1 4.28Å; L747-W768 CarbonylContact C-O 3.6Å; L747-W768 WeakPolarHBondContact CA-O 3.39Å; L747-K769 HydrophobicContact CD2-CG 4.42Å; L747-Y797 HydrophobicContact CD1-CG 4.16Å; L747-Y797 HydrophobicContact CD2-CD2 3.85Å; L747-Y797 HydrophobicContact CD2-CG 4.05Å |
| 748 | F | 88.4 | Confident | 74.9 | Confident | 29 Ų | 29 | 38.8 Ų | 38.8 | 13% | 0.127 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 128.3 | 177.6 | -66 | -94.6 | 0 | 0 | 0 | 110.3 | Q729 L767 W768 K771 | Q729-F748 HydrophobicContact CG-CD1 3.53Å; Q729-F748 HydrophobicContact CG-CE1 3.57Å; Q729-F748 HydrophobicContact CG-CG 4.11Å; Q729-F748 HydrophobicContact CG-CZ 4.18Å; F748-L767 CarbonylContact O-C 3.6Å; F748-W768 HydrophobicContact CB-CB 4.44Å; F748-W768 PolarHBondContact N-O 2.81Å; F748-W768 PolarHBondContact O-N 2.88Å; F748-K771 HydrophobicContact CD1-CB 3.88Å; F748-K771 HydrophobicContact CD1-CG 3.93Å; F748-K771 HydrophobicContact CE1-CB 3.62Å; F748-K771 HydrophobicContact CE1-CD 4.02Å; F748-K771 HydrophobicContact CE1-CG 3.8Å; F748-K771 HydrophobicContact CE2-CB 4.39Å; F748-K771 HydrophobicContact CG-CB 4.38Å; F748-K771 HydrophobicContact CZ-CB 3.91Å |
| 749 | I | 85.3 | Confident | 72.8 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 124.4 | 172.1 | -71.3 | 159.5 | 0 | 0 | 0 | 108.7 | Y711 P727 E728 I730 R765 L767 R774 | Y711-I749 HydrophobicContact CD1-CD1 3.47Å; Y711-I749 VanDerWaalsContact CD1-CD1 3.47Å; Y711-I749 HydrophobicContact CD1-CG1 4.11Å; Y711-I749 HydrophobicContact CE1-CD1 3.78Å; Y711-I749 HydrophobicContact CG-CD1 4.33Å; P727-I749 HydrophobicContact CB-CD1 4.31Å; P727-I749 HydrophobicContact CG-CD1 3.9Å; P727-I749 WeakPolarHBondContact O-CD1 3.47Å; E728-I749 PolarHBondContact O-N 2.92Å; I730-I749 HydrophobicContact CD1-CD1 4.22Å; I730-I749 HydrophobicContact CD1-CG1 4.46Å; I730-I749 HydrophobicContact CG1-CD1 4.17Å; I730-I749 HydrophobicContact CG1-CG1 4.36Å; I730-I749 HydrophobicContact CG2-CD1 3.76Å; I749-R765 HydrophobicContact CG2-CB 3.68Å; I749-R765 HydrophobicContact CG2-CG 4.31Å; I749-L767 HydrophobicContact CG1-CD2 3.67Å; I749-R774 VanDerWaalsContact O-CZ 3.32Å; I749-R774 PolarHBondContact O-NE 2.82Å; I749-R774 PolarHBondContact O-NH2 3.41Å |
| 750 | G | 80.8 | Confident | 70.9 | Confident | 13 Ų | 13 | 43.7 Ų | 43.7 | 13% | 0.134 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -138.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I766 | G750-I766 WeakPolarHBondContact CA-O 3.47Å; G750-I766 PolarHBondContact N-O 2.67Å |
| 751 | Q | 74.4 | Confident | 69.5 | Low | 49 Ų | 49 | 44.2 Ų | 44.2 | 23% | 0.229 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 155.2 | -172.5 | -64.5 | 171.4 | 26.2 | 0 | 0 | 113.2 | R765 I766 R774 K776 | Q751-R765 VanDerWaalsContact O-CA 3.26Å; Q751-R765 WeakPolarHBondContact O-CA 3.48Å; Q751-I766 PolarHBondContact O-N 2.79Å; Q751-R774 PolarHBondContact NE2-O 3.06Å; Q751-K776 PolarHBondContact NE2-O 2.91Å |
| 752 | S | 76.6 | Confident | 68.4 | Low | 39 Ų | 39 | 45 Ų | 45 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 143.5 | 179.1 | -177.2 | 0 | 0 | 0 | 0 | 113.4 | D754 S763 | S752-D754 PolarHBondContact OG-N 2.96Å; S752-D754 VanDerWaalsContact OG-N 3.17Å; S752-D754 PolarHBondContact OG-O 3.37Å; S752-S763 WeakPolarHBondContact OG-CB 3.39Å |
| 753 | L | 70.7 | Confident | 67.6 | Low | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -73.8 | -31.9 | 168.7 | -102.4 | 53.4 | 0 | 0 | 0 | 113.1 | A656 K659 I660 F764 I766 | A656-L753 HydrophobicContact CB-CB 4.15Å; A656-L753 HydrophobicContact CB-CD2 3.85Å; A656-L753 HydrophobicContact CB-CG 4.1Å; K659-L753 VanDerWaalsContact CD-O 3.23Å; K659-L753 WeakPolarHBondContact CD-O 3.04Å; K659-L753 VanDerWaalsContact CE-O 3.22Å; K659-L753 WeakPolarHBondContact CE-O 3.45Å; K659-L753 PolarHBondContact NZ-O 3.24Å; I660-L753 HydrophobicContact CD1-CD2 3.94Å; I660-L753 HydrophobicContact CG1-CD1 4.47Å; I660-L753 HydrophobicContact CG1-CD2 3.97Å; I660-L753 HydrophobicContact CG1-CG 4.45Å; L753-F764 HydrophobicContact CB-CB 4.27Å; L753-F764 HydrophobicContact CD2-CB 3.76Å; L753-F764 PolarHBondContact N-O 2.91Å; L753-I766 HydrophobicContact CD1-CD1 3.87Å; L753-I766 HydrophobicContact CD1-CG1 3.44Å; L753-I766 VanDerWaalsContact CD1-CG1 3.44Å |
| 754 | D | 66 | Low | 67.1 | Low | 57 Ų | 57 | 46.1 Ų | 46.1 | 31% | 0.305 | 29% | 0.287 | S | S | . | . | trans | -109.7 | 135.1 | -180 | -61.5 | -64.8 | 0 | 0 | 0 | 111.1 | S653 S752 | S653-D754 PolarHBondContact OG-OD1 3.27Å; S752-D754 PolarHBondContact OG-N 2.96Å; S752-D754 VanDerWaalsContact OG-N 3.17Å; S752-D754 PolarHBondContact OG-O 3.37Å | ||
| 755 | D | 52.2 | Low | 66.9 | Low | 134 Ų | 134 | 49.1 Ų | 49.1 | 72% | 0.717 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -84.3 | -26 | 179.7 | -55.5 | -63.6 | 0 | 0 | 0 | 112.5 | K659 P757 | K659-D755 VanDerWaalsContact CE-OD2 3.28Å; K659-D755 WeakPolarHBondContact CE-OD2 3.27Å; K659-D755 IonicContact NZ-OD1 2.7Å; K659-D755 PolarHBondContact NZ-OD1 2.88Å; K659-D755 IonicContact NZ-OD2 3.44Å; K659-D755 PolarHBondContact NZ-OD2 3.39Å; D755-P757 WeakPolarHBondContact O-CD 3.29Å |
| 756 | C | 44.3 | Very low | 67.1 | Low | 106 Ų | 106 | 47.7 Ų | 47.7 | 72% | 0.716 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -87.1 | 114.1 | 165.1 | -63.9 | 0 | 0 | 0 | 0 | 108.1 | S758 | C756-S758 PolarHBondContact O-N 3.14Å; C756-S758 VanDerWaalsContact O-N 3.13Å |
| 757 | P | 44.7 | Very low | 67.2 | Low | 111 Ų | 111 | 44.6 Ų | 44.6 | 72% | 0.721 | 27% | 0.268 | S | S | * | . | trans | -62.5 | 118.4 | 168.4 | 26.5 | -32.4 | 0 | 0 | 0 | 108.3 | D755 | D755-P757 WeakPolarHBondContact O-CD 3.29Š| ||
| 758 | S | 42.2 | Very low | 67 | Low | 50 Ų | 50 | 46 Ų | 46 | 35% | 0.35 | 27% | 0.273 | S | S | . | . | trans | -59.5 | 143.9 | 169.3 | 66.5 | 0 | 0 | 0 | 0 | 108.6 | C756 N760 G761 D762 | C756-S758 PolarHBondContact O-N 3.14Å; C756-S758 VanDerWaalsContact O-N 3.13Å; S758-N760 PolarHBondContact O-N 3.14Å; S758-G761 PolarHBondContact O-N 2.84Å; S758-D762 PolarHBondContact OG-N 2.64Å | ||
| 759 | S | 40.2 | Very low | 66.7 | Low | 110 Ų | 110 | 47.9 Ų | 47.9 | 77% | 0.769 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 4.1 | -174.9 | 59.8 | 0 | 0 | 0 | 0 | 114.9 | ||
| 760 | N | 42.2 | Very low | 66.2 | Low | 56 Ų | 56 | 50.2 Ų | 50.2 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -27.6 | 177.5 | -60.8 | -18.2 | 0 | 0 | 0 | 112.7 | R717 S758 D762 | R717-N760 PolarHBondContact NH2-OD1 2.72Å; S758-N760 PolarHBondContact O-N 3.14Å; N760-D762 WeakPolarHBondContact CB-OD1 3.39Å; N760-D762 WeakPolarHBondContact CB-OD2 3.07Å; N760-D762 PolarHBondContact ND2-OD2 2.82Å |
| 761 | G | 49 | Very low | 65.5 | Low | 23 Ų | 23 | 55.2 Ų | 55.2 | 24% | 0.237 | 32% | 0.316 | C | S | . | . | trans | 104.8 | -1.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | S758 S763 | S758-G761 PolarHBondContact O-N 2.84Å; G761-S763 PolarHBondContact O-N 2.93Å | ||
| 762 | D | 57 | Low | 64.7 | Low | 45 Ų | 45 | 63.5 Ų | 63.5 | 24% | 0.241 | 35% | 0.345 | C | S | . | . | trans | -69.3 | 8.8 | -161.7 | -41.8 | -17.7 | 0 | 0 | 0 | 116.2 | S712 F714 S758 N760 F764 | S712-D762 PolarHBondContact OG-O 2.98Å; F714-D762 WeakPolarHBondContact CD1-OD1 3.39Å; F714-D762 HydrophobicContact CE1-CB 4.48Å; F714-D762 WeakPolarHBondContact CE1-OD1 3.44Å; S758-D762 PolarHBondContact OG-N 2.64Å; N760-D762 WeakPolarHBondContact CB-OD1 3.39Å; N760-D762 WeakPolarHBondContact CB-OD2 3.07Å; N760-D762 PolarHBondContact ND2-OD2 2.82Å; D762-F764 PolarHBondContact O-N 3.16Å | ||
| 763 | S | 68.9 | Low | 63.7 | Low | 17 Ų | 17 | 63.3 Ų | 63.3 | 12% | 0.119 | 34% | 0.34 | C | S | . | . | trans | -67.2 | 116.9 | -173.3 | 61.4 | 0 | 0 | 0 | 0 | 112.4 | S752 G761 | S752-S763 WeakPolarHBondContact OG-CB 3.39Å; G761-S763 PolarHBondContact O-N 2.93Å | ||
| 764 | F | 78.2 | Confident | 62.6 | Low | 22 Ų | 22 | 66.6 Ų | 66.6 | 10% | 0.096 | 35% | 0.353 | C | S | . | . | trans | -56 | 141 | 171.2 | -77.2 | -83.9 | 0 | 0 | 0 | 111.8 | L652 A710 L753 D762 C887 L889 | L652-F764 HydrophobicContact CD2-CD2 3.82Å; L652-F764 HydrophobicContact CD2-CE2 3.71Å; A710-F764 HydrophobicContact CB-CB 4.2Å; A710-F764 HydrophobicContact CB-CD1 4.21Å; L753-F764 HydrophobicContact CB-CB 4.27Å; L753-F764 HydrophobicContact CD2-CB 3.76Å; L753-F764 PolarHBondContact N-O 2.91Å; D762-F764 PolarHBondContact O-N 3.16Å; F764-C887 HydrophobicContact CE1-CB 3.77Å; F764-C887 HydrophobicContact CZ-CB 3.63Å; F764-L889 HydrophobicContact CD1-CB 4.1Å; F764-L889 HydrophobicContact CE1-CB 3.91Å | ||
| 765 | R | 83.9 | Confident | 61.8 | Low | 69 Ų | 69 | 72.3 Ų | 72.3 | 26% | 0.26 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 135.2 | 177.1 | -62.6 | -178.4 | -169.3 | 168 | 6.4 | 111.4 | A710 Y711 S726 I749 Q751 | A710-R765 CarbonylContact C-O 3.56Å; A710-R765 WeakPolarHBondContact CA-O 3.36Å; A710-R765 WeakPolarHBondContact CB-O 3.43Å; Y711-R765 PolarHBondContact N-O 3.45Å; Y711-R765 PolarHBondContact O-N 2.93Å; S726-R765 PolarHBondContact OG-NH1 2.74Å; I749-R765 HydrophobicContact CG2-CB 3.68Å; I749-R765 HydrophobicContact CG2-CG 4.31Å; Q751-R765 VanDerWaalsContact O-CA 3.26Å; Q751-R765 WeakPolarHBondContact O-CA 3.48Å |
| 766 | I | 87.2 | Confident | 61.5 | Low | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 136.5 | -176.9 | -63.8 | 179.7 | 0 | 0 | 0 | 110.8 | A663 F665 G750 Q751 L753 W768 F778 P795 | A663-I766 HydrophobicContact CB-CD1 3.73Å; F665-I766 HydrophobicContact CE2-CG2 4.46Å; F665-I766 HydrophobicContact CZ-CG2 3.82Å; G750-I766 WeakPolarHBondContact CA-O 3.47Å; G750-I766 PolarHBondContact N-O 2.67Å; Q751-I766 PolarHBondContact O-N 2.79Å; L753-I766 HydrophobicContact CD1-CD1 3.87Å; L753-I766 HydrophobicContact CD1-CG1 3.44Å; L753-I766 VanDerWaalsContact CD1-CG1 3.44Å; I766-W768 HydrophobicContact CG2-CD2 4.47Å; I766-W768 HydrophobicContact CG2-CZ2 4.09Å; I766-F778 HydrophobicContact CD1-CZ 3.86Å; I766-P795 HydrophobicContact CG2-CB 3.94Å |
| 767 | L | 88.8 | Confident | 61.5 | Low | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 146.6 | 175 | -62.2 | 174.6 | 0 | 0 | 0 | 111.3 | F708 L709 I730 F732 L747 F748 I749 G796 | F708-L767 HydrophobicContact CB-CD1 4.23Å; L709-L767 PolarHBondContact O-N 3.37Å; L709-L767 VanDerWaalsContact O-N 3.08Å; I730-L767 HydrophobicContact CD1-CD1 4.47Å; I730-L767 HydrophobicContact CD1-CD2 3.82Å; I730-L767 HydrophobicContact CG1-CD2 4.15Å; F732-L767 HydrophobicContact CE2-CD1 3.99Å; F732-L767 HydrophobicContact CZ-CD1 4Å; L747-L767 HydrophobicContact CD1-CD1 4.28Å; F748-L767 CarbonylContact O-C 3.6Å; I749-L767 HydrophobicContact CG1-CD2 3.67Å; L767-G796 WeakPolarHBondContact O-CA 3.37Å; L767-G796 PolarHBondContact O-N 2.86Å |
| 768 | W | 86.2 | Confident | 61.5 | Low | 30 Ų | 30 | 69 Ų | 69 | 11% | 0.114 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 142.8 | -178.1 | -64.5 | 89.8 | 0 | 0 | 0 | 112.3 | L747 F748 I766 S770 Q773 P795 | L747-W768 CarbonylContact C-O 3.6Å; L747-W768 WeakPolarHBondContact CA-O 3.39Å; F748-W768 HydrophobicContact CB-CB 4.44Å; F748-W768 PolarHBondContact N-O 2.81Å; F748-W768 PolarHBondContact O-N 2.88Å; I766-W768 HydrophobicContact CG2-CD2 4.47Å; I766-W768 HydrophobicContact CG2-CZ2 4.09Å; W768-S770 VanDerWaalsContact C-N 3.27Å; W768-S770 PolarHBondContact O-N 3.44Å; W768-Q773 HydrophobicContact CD2-CB 3.65Å; W768-Q773 HydrophobicContact CD2-CG 4.47Å; W768-Q773 HydrophobicContact CE3-CB 3.37Å; W768-Q773 HydrophobicContact CE3-CG 3.71Å; W768-Q773 HydrophobicContact CG-CB 4.21Å; W768-Q773 HydrophobicContact CH2-CB 4.31Å; W768-Q773 HydrophobicContact CZ3-CB 3.73Å; W768-Q773 HydrophobicContact CZ3-CG 3.84Å; W768-P795 HydrophobicContact CD2-CB 4.09Å; W768-P795 HydrophobicContact CE3-CB 3.71Å; W768-P795 HydrophobicContact CH2-CB 3.85Å; W768-P795 HydrophobicContact CH2-CG 4.36Å; W768-P795 HydrophobicContact CZ2-CB 4.17Å; W768-P795 HydrophobicContact CZ3-CB 3.6Å; W768-P795 HydrophobicContact CZ3-CG 4.25Å |
| 769 | K | 81.8 | Confident | 61.5 | Low | 67 Ų | 67 | 72.2 Ų | 72.2 | 29% | 0.291 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -72.3 | -14.2 | 174.9 | -58.8 | -176.2 | -176 | 178.4 | 0 | 113.9 | L747 G796 | L747-K769 HydrophobicContact CD2-CG 4.42Å; K769-G796 WeakPolarHBondContact CG-O 3.31Å |
| 770 | S | 75.4 | Confident | 61.5 | Low | 54 Ų | 54 | 69.4 Ų | 69.4 | 38% | 0.378 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -146.2 | 142.4 | -176.3 | -165.3 | 0 | 0 | 0 | 0 | 114.4 | W768 R772 Q773 | W768-S770 VanDerWaalsContact C-N 3.27Å; W768-S770 PolarHBondContact O-N 3.44Å; S770-R772 PolarHBondContact O-N 2.88Å; S770-Q773 PolarHBondContact O-N 2.93Å; S770-Q773 PolarHBondContact O-OE1 2.83Å |
| 771 | K | 66.5 | Low | 61.6 | Low | 117 Ų | 117 | 72.2 Ų | 72.2 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -58.5 | -31 | -179 | -159.9 | 175.3 | -175.6 | 178.9 | 0 | 113.7 | F748 Q773 R774 | F748-K771 HydrophobicContact CD1-CB 3.88Å; F748-K771 HydrophobicContact CD1-CG 3.93Å; F748-K771 HydrophobicContact CE1-CB 3.62Å; F748-K771 HydrophobicContact CE1-CD 4.02Å; F748-K771 HydrophobicContact CE1-CG 3.8Å; F748-K771 HydrophobicContact CE2-CB 4.39Å; F748-K771 HydrophobicContact CG-CB 4.38Å; F748-K771 HydrophobicContact CZ-CB 3.91Å; K771-Q773 PolarHBondContact O-N 3.09Å; K771-R774 PolarHBondContact O-N 2.73Å |
| 772 | R | 55.9 | Low | 60.9 | Low | 224 Ų | 224 | 78.4 Ų | 78.4 | 85% | 0.845 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -65.8 | -16.9 | -176 | -78.4 | -174.5 | 174.4 | 174.2 | -0.8 | 114.8 | S770 | S770-R772 PolarHBondContact O-N 2.88Š|
| 773 | Q | 55.7 | Low | 60 | Low | 34 Ų | 34 | 84 Ų | 84 | 16% | 0.159 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -84.8 | -13.4 | -178.9 | -74.2 | 149.9 | -52.7 | 0 | 0 | 113.6 | W768 S770 K771 E775 Q793 | W768-Q773 HydrophobicContact CD2-CB 3.65Å; W768-Q773 HydrophobicContact CD2-CG 4.47Å; W768-Q773 HydrophobicContact CE3-CB 3.37Å; W768-Q773 HydrophobicContact CE3-CG 3.71Å; W768-Q773 HydrophobicContact CG-CB 4.21Å; W768-Q773 HydrophobicContact CH2-CB 4.31Å; W768-Q773 HydrophobicContact CZ3-CB 3.73Å; W768-Q773 HydrophobicContact CZ3-CG 3.84Å; S770-Q773 PolarHBondContact O-N 2.93Å; S770-Q773 PolarHBondContact O-OE1 2.83Å; K771-Q773 PolarHBondContact O-N 3.09Å; Q773-E775 VanDerWaalsContact C-N 3.3Å; Q773-E775 PolarHBondContact O-N 3.41Å; Q773-Q793 PolarHBondContact NE2-O 3.29Å |
| 774 | R | 48.2 | Very low | 58.3 | Low | 71 Ų | 71 | 87.9 Ų | 87.9 | 27% | 0.268 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -38.8 | -178.6 | -112.4 | -172.3 | -171.2 | 169.9 | 8.6 | 114.1 | E728 I749 Q751 K771 | E728-R774 PolarHBondContact O-NH2 2.85Å; E728-R774 IonicContact OE1-CZ 2.79Å; E728-R774 IonicContact OE1-NH1 3.68Å; E728-R774 PolarHBondContact OE1-NH1 3.39Å; E728-R774 IonicContact OE1-NH2 2.67Å; I749-R774 VanDerWaalsContact O-CZ 3.32Å; I749-R774 PolarHBondContact O-NE 2.82Å; I749-R774 PolarHBondContact O-NH2 3.41Å; Q751-R774 PolarHBondContact NE2-O 3.06Å; K771-R774 PolarHBondContact O-N 2.73Å |
| 775 | E | 48.7 | Very low | 56.3 | Low | 177 Ų | 177 | 93.1 Ų | 93.1 | 83% | 0.827 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -14 | -161.4 | -67.1 | 169.3 | 178.1 | 0 | 0 | 114.2 | Q773 S777 | Q773-E775 VanDerWaalsContact C-N 3.3Å; Q773-E775 PolarHBondContact O-N 3.41Å; E775-S777 PolarHBondContact O-N 3.42Å |
| 776 | K | 47.6 | Very low | 53.8 | Low | 148 Ų | 148 | 94.7 Ų | 94.7 | 64% | 0.643 | 49% | 0.487 | S | S | * | . | trans | -84.4 | 111.3 | 177.2 | -76.2 | -161.9 | 172.2 | -164.7 | 0 | 111 | Q751 | Q751-K776 PolarHBondContact NE2-O 2.91Š| ||
| 777 | S | 42.9 | Very low | 51.3 | Low | 67 Ų | 67 | 101.7 Ų | 101.7 | 47% | 0.469 | 52% | 0.523 | S | S | . | . | trans | -64.9 | 147.1 | 167.4 | 47.6 | 0 | 0 | 0 | 0 | 111.3 | E775 S779 S780 | E775-S777 PolarHBondContact O-N 3.42Å; S777-S779 PolarHBondContact O-N 2.89Å; S777-S780 PolarHBondContact O-N 2.97Å; S777-S780 VanDerWaalsContact O-N 3.14Å; S777-S780 PolarHBondContact O-OG 2.69Å | ||
| 778 | F | 45.5 | Very low | 48.6 | Very low | 67 Ų | 67 | 104.9 Ų | 104.9 | 29% | 0.294 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -52.5 | -24.2 | -173.4 | -76 | -94.2 | 0 | 0 | 0 | 115.2 | S662 A663 I766 S780 | S662-F778 WeakPolarHBondContact OG-CD1 3.48Å; S662-F778 WeakPolarHBondContact OG-CE1 3.38Å; A663-F778 HydrophobicContact CB-CE1 4.01Å; A663-F778 HydrophobicContact CB-CZ 4.46Å; I766-F778 HydrophobicContact CD1-CZ 3.86Å; F778-S780 PolarHBondContact O-N 3.12Å |
| 779 | S | 41.9 | Very low | 46.2 | Very low | 116 Ų | 116 | 113.2 Ų | 113.2 | 81% | 0.811 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -73 | 2.6 | 179.6 | 58.3 | 0 | 0 | 0 | 0 | 115.1 | S777 | S777-S779 PolarHBondContact O-N 2.89Š|
| 780 | S | 40.7 | Very low | 44.2 | Very low | 51 Ų | 51 | 113.2 Ų | 113.2 | 36% | 0.357 | 60% | 0.601 | S | S | . | * | G | 310 helix | trans | -115.1 | 12.8 | -173.1 | 65.1 | 0 | 0 | 0 | 0 | 115.2 | S777 F778 E782 | S777-S780 PolarHBondContact O-N 2.97Å; S777-S780 VanDerWaalsContact O-N 3.14Å; S777-S780 PolarHBondContact O-OG 2.69Å; F778-S780 PolarHBondContact O-N 3.12Å; S780-E782 VanDerWaalsContact C-N 3.32Å; S780-E782 PolarHBondContact O-N 3.19Å |
| 781 | I | 44.1 | Very low | 42.9 | Very low | 115 Ų | 115 | 119.1 Ų | 119.1 | 59% | 0.59 | 62% | 0.623 | S | S | * | * | trans | -86.2 | 75.8 | 170.3 | -51.1 | -179.8 | 0 | 0 | 0 | 109 | L783 | I781-L783 PolarHBondContact O-N 2.88Š| ||
| 782 | E | 34.8 | Very low | 42.1 | Very low | 154 Ų | 154 | 119.4 Ų | 119.4 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | trans | -65.6 | 121.4 | 161.1 | -71.7 | -172.8 | 166.6 | 0 | 0 | 109.2 | S780 N784 | S780-E782 VanDerWaalsContact C-N 3.32Å; S780-E782 PolarHBondContact O-N 3.19Å; E782-N784 WeakPolarHBondContact CB-ND2 3.4Å; E782-N784 PolarHBondContact O-N 2.75Å; E782-N784 PolarHBondContact OE2-ND2 3.23Å | ||
| 783 | L | 37.4 | Very low | 42.3 | Very low | 163 Ų | 163 | 115.2 Ų | 115.2 | 85% | 0.853 | 62% | 0.62 | S | S | * | * | trans | -72.8 | 64.3 | 174.5 | -76.7 | 163.1 | 0 | 0 | 0 | 111.2 | I781 P785 | I781-L783 PolarHBondContact O-N 2.88Å; L783-P785 WeakPolarHBondContact O-CD 3.43Å; L783-P785 WeakPolarHBondContact O-CG 3.45Å | ||
| 784 | N | 32.3 | Very low | 43.1 | Very low | 98 Ų | 98 | 114.9 Ų | 114.9 | 52% | 0.524 | 62% | 0.621 | S | S | . | * | trans | -75.7 | 104.3 | 172.8 | -79.6 | -60.9 | 0 | 0 | 0 | 109.5 | E782 S786 | E782-N784 WeakPolarHBondContact CB-ND2 3.4Å; E782-N784 PolarHBondContact O-N 2.75Å; E782-N784 PolarHBondContact OE2-ND2 3.23Å; N784-S786 PolarHBondContact O-N 3.48Å; N784-S786 VanDerWaalsContact O-N 3.09Å | ||
| 785 | P | 36.2 | Very low | 44.7 | Very low | 131 Ų | 131 | 111.8 Ų | 111.8 | 85% | 0.851 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 6.6 | -165.9 | -12.7 | 31.3 | 0 | 0 | 0 | 114.6 | L783 | L783-P785 WeakPolarHBondContact O-CD 3.43Å; L783-P785 WeakPolarHBondContact O-CG 3.45Å |
| 786 | S | 31.4 | Very low | 46.4 | Very low | 102 Ų | 102 | 103.4 Ų | 103.4 | 71% | 0.713 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | -0.1 | -156.4 | 51.8 | 0 | 0 | 0 | 0 | 115.3 | N784 | N784-S786 PolarHBondContact O-N 3.48Å; N784-S786 VanDerWaalsContact O-N 3.09Å |
| 787 | I | 35 | Very low | 48.2 | Very low | 150 Ų | 150 | 96.7 Ų | 96.7 | 77% | 0.769 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -110.8 | 129.4 | 173 | -64.7 | 177.2 | 0 | 0 | 0 | 108.3 | ||
| 788 | G | 33.1 | Very low | 50.4 | Low | 67 Ų | 67 | 95.5 Ų | 95.5 | 69% | 0.691 | 53% | 0.529 | S | S | * | . | trans | -55.3 | 141 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S790 | G788-S790 PolarHBondContact O-N 2.86Š| ||
| 789 | K | 34.7 | Very low | 52.4 | Low | 205 Ų | 205 | 92.4 Ų | 92.4 | 89% | 0.891 | 52% | 0.515 | S | S | * | . | trans | -56.5 | 96.3 | 178.2 | -66.1 | 179.1 | 179.2 | 179.4 | 0 | 110.9 | E791 | K789-E791 PolarHBondContact O-N 3.3Š| ||
| 790 | S | 40 | Very low | 54.7 | Low | 66 Ų | 66 | 87.1 Ų | 87.1 | 46% | 0.462 | 48% | 0.478 | S | S | . | . | trans | -74.4 | 112.5 | 165 | 66.1 | 0 | 0 | 0 | 0 | 108 | G788 N792 Q793 | G788-S790 PolarHBondContact O-N 2.86Å; S790-N792 PolarHBondContact O-N 2.91Å; S790-Q793 PolarHBondContact O-N 3.09Å; S790-Q793 WeakPolarHBondContact OG-CG 3.46Å; S790-Q793 PolarHBondContact OG-NE2 3.02Å | ||
| 791 | E | 47.7 | Very low | 57 | Low | 178 Ų | 178 | 84.7 Ų | 84.7 | 83% | 0.832 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -61.4 | -14.4 | -162.4 | -63.9 | 162.4 | 145.2 | 0 | 0 | 115.1 | K789 Q793 | K789-E791 PolarHBondContact O-N 3.3Å; E791-Q793 PolarHBondContact O-N 3.05Å |
| 792 | N | 50.3 | Low | 58.9 | Low | 124 Ų | 124 | 83.2 Ų | 83.2 | 66% | 0.663 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -91.4 | 20.6 | -175.7 | -68.4 | -47.7 | 0 | 0 | 0 | 115.6 | S790 | S790-N792 PolarHBondContact O-N 2.91Š|
| 793 | Q | 60.6 | Low | 61.3 | Low | 135 Ų | 135 | 76.3 Ų | 76.3 | 63% | 0.631 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -89 | -12.2 | -175.3 | -73.8 | -169.3 | 26.6 | 0 | 0 | 116.2 | Q773 S790 E791 | Q773-Q793 PolarHBondContact NE2-O 3.29Å; S790-Q793 PolarHBondContact O-N 3.09Å; S790-Q793 WeakPolarHBondContact OG-CG 3.46Å; S790-Q793 PolarHBondContact OG-NE2 3.02Å; E791-Q793 PolarHBondContact O-N 3.05Å |
| 794 | S | 71.7 | Confident | 63.4 | Low | 27 Ų | 27 | 69.4 Ų | 69.4 | 19% | 0.189 | 38% | 0.38 | C | S | . | . | trans | -72.6 | 140.3 | -178.3 | 48.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 795 | P | 82.4 | Confident | 65.4 | Low | 7 Ų | 7 | 65.6 Ų | 65.6 | 5% | 0.045 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -71.7 | 166.5 | 166 | 31.4 | -35.2 | 0 | 0 | 0 | 111.7 | A663 G664 F665 I766 W768 | A663-P795 HydrophobicContact CB-CG 4.13Å; A663-P795 WeakPolarHBondContact O-CG 3.46Å; G664-P795 WeakPolarHBondContact O-CD 3.26Å; F665-P795 HydrophobicContact CB-CG 4.32Å; F665-P795 HydrophobicContact CD1-CB 4.03Å; F665-P795 HydrophobicContact CD1-CG 3.71Å; F665-P795 WeakPolarHBondContact CD1-O 3.31Å; F665-P795 HydrophobicContact CD2-CG 4.05Å; F665-P795 HydrophobicContact CE1-CB 3.84Å; F665-P795 HydrophobicContact CE1-CG 4Å; F665-P795 HydrophobicContact CE2-CG 4.32Å; F665-P795 HydrophobicContact CG-CB 4.5Å; F665-P795 HydrophobicContact CG-CG 3.75Å; F665-P795 HydrophobicContact CZ-CB 4.17Å; F665-P795 HydrophobicContact CZ-CG 4.31Å; I766-P795 HydrophobicContact CG2-CB 3.94Å; W768-P795 HydrophobicContact CD2-CB 4.09Å; W768-P795 HydrophobicContact CE3-CB 3.71Å; W768-P795 HydrophobicContact CH2-CB 3.85Å; W768-P795 HydrophobicContact CH2-CG 4.36Å; W768-P795 HydrophobicContact CZ2-CB 4.17Å; W768-P795 HydrophobicContact CZ3-CB 3.6Å; W768-P795 HydrophobicContact CZ3-CG 4.25Å |
| 796 | G | 83.9 | Confident | 66.9 | Low | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | S | Bend | trans | 73.5 | -168.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F708 L767 K769 | F708-G796 WeakPolarHBondContact O-CA 3.4Å; L767-G796 WeakPolarHBondContact O-CA 3.37Å; L767-G796 PolarHBondContact O-N 2.86Å; K769-G796 WeakPolarHBondContact CG-O 3.31Å |
| 797 | Y | 86.6 | Confident | 68.8 | Low | 7 Ų | 7 | 60.3 Ų | 60.3 | 3% | 0.027 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 134.7 | 175.9 | -175 | -102.8 | 0 | 0 | 0 | 109.7 | Q707 F708 T744 S745 L747 V799 G1186 | Q707-Y797 CarbonylContact C-O 3.56Å; Q707-Y797 VanDerWaalsContact CA-O 3.32Å; Q707-Y797 WeakPolarHBondContact CA-O 3.27Å; F708-Y797 HydrophobicContact CD2-CD1 4.08Å; F708-Y797 HydrophobicContact CE2-CD1 4.47Å; F708-Y797 PolarHBondContact N-O 3.47Å; F708-Y797 PolarHBondContact O-N 3.32Å; F708-Y797 VanDerWaalsContact O-N 3.13Å; T744-Y797 HydrophobicContact CG2-CD1 3.85Å; T744-Y797 HydrophobicContact CG2-CE1 3.47Å; T744-Y797 VanDerWaalsContact CG2-CE1 3.47Å; S745-Y797 PolarHBondContact N-OH 2.71Å; S745-Y797 WeakPolarHBondContact OG-CE2 3.46Å; L747-Y797 HydrophobicContact CD1-CG 4.16Å; L747-Y797 HydrophobicContact CD2-CD2 3.85Å; L747-Y797 HydrophobicContact CD2-CG 4.05Å; Y797-V799 HydrophobicContact CD1-CG2 3.87Å; Y797-V799 HydrophobicContact CE1-CG2 3.34Å; Y797-G1186 WeakPolarHBondContact OH-CA 3.43Å |
| 798 | K | 88.2 | Confident | 70.6 | Confident | 41 Ų | 41 | 54.2 Ų | 54.2 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 123.2 | -175.2 | -171.9 | -174.2 | 71.6 | -169.4 | 0 | 108.4 | E666 I705 F706 V800 | E666-K798 IonicContact OE1-NZ 3.89Å; E666-K798 PolarHBondContact OE1-NZ 2.81Å; E666-K798 WeakPolarHBondContact OE2-CD 3.48Å; E666-K798 WeakPolarHBondContact OE2-CE 3.38Å; E666-K798 IonicContact OE2-NZ 3.54Å; E666-K798 PolarHBondContact OE2-NZ 2.73Å; I705-K798 HydrophobicContact CG2-CD 4.13Å; I705-K798 HydrophobicContact CG2-CG 3.71Å; F706-K798 CarbonylContact O-C 3.58Å; F706-K798 WeakPolarHBondContact O-CA 3.42Å; K798-V800 HydrophobicContact CD-CG2 4.07Å; K798-V800 HydrophobicContact CG-CG2 4Å |
| 799 | V | 88.3 | Confident | 72.3 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 139.3 | 167.1 | -174.3 | 0 | 0 | 0 | 0 | 107.8 | I705 F706 F708 F734 V742 Y797 F801 | I705-V799 WeakPolarHBondContact CA-O 3.32Å; F706-V799 HydrophobicContact CB-CB 4.36Å; F706-V799 PolarHBondContact N-O 3.13Å; F706-V799 PolarHBondContact O-N 3.03Å; F708-V799 HydrophobicContact CE2-CG2 4.45Å; F734-V799 HydrophobicContact CZ-CG2 4.24Å; V742-V799 HydrophobicContact CG1-CG2 4.38Å; Y797-V799 HydrophobicContact CD1-CG2 3.87Å; Y797-V799 HydrophobicContact CE1-CG2 3.34Å; V799-F801 HydrophobicContact CB-CE2 4.39Å; V799-F801 HydrophobicContact CG1-CD2 4.29Å; V799-F801 HydrophobicContact CG1-CE1 4.18Å; V799-F801 HydrophobicContact CG1-CE2 3.65Å; V799-F801 HydrophobicContact CG1-CZ 3.59Å |
| 800 | V | 89.1 | Confident | 73.7 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.03 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 117.1 | -175.4 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | E703 I705 K798 R802 N1191 | E703-V800 HydrophobicContact CG-CG1 3.52Å; E703-V800 WeakPolarHBondContact OE1-CG1 3.45Å; I705-V800 HydrophobicContact CG1-CG2 4.37Å; K798-V800 HydrophobicContact CD-CG2 4.07Å; K798-V800 HydrophobicContact CG-CG2 4Å; V800-R802 HydrophobicContact CG1-CG 4.22Å; V800-N1191 WeakPolarHBondContact CB-OD1 3.33Å |
| 801 | F | 88.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 106.4 | 173.1 | -52.7 | -87.1 | 0 | 0 | 0 | 108.7 | I704 F706 F734 F736 F739 V742 V799 L1192 | I704-F801 HydrophobicContact CB-CB 4.3Å; I704-F801 PolarHBondContact N-O 3.26Å; I704-F801 PolarHBondContact O-N 3.1Å; F706-F801 HydrophobicContact CD1-CE2 4.41Å; F706-F801 HydrophobicContact CD2-CE2 4.06Å; F706-F801 HydrophobicContact CE1-CE2 4.48Å; F706-F801 HydrophobicContact CE2-CE2 4.07Å; F706-F801 HydrophobicContact CG-CE2 4.23Å; F706-F801 HydrophobicContact CZ-CE2 4.32Å; F734-F801 HydrophobicContact CE2-CE2 4.11Å; F734-F801 AromaticContact CE2-CZ 3.8Å; F734-F801 HydrophobicContact CE2-CZ 3.8Å; F734-F801 HydrophobicContact CZ-CZ 4.31Å; F736-F801 HydrophobicContact CB-CE1 4.24Å; F736-F801 HydrophobicContact CB-CE2 4.04Å; F736-F801 HydrophobicContact CB-CZ 3.85Å; F736-F801 HydrophobicContact CD1-CB 4.11Å; F736-F801 HydrophobicContact CD1-CD1 4Å; F736-F801 AromaticContact CD1-CD2 3.58Å; F736-F801 HydrophobicContact CD1-CD2 3.58Å; F736-F801 HydrophobicContact CD1-CE1 4.28Å; F736-F801 AromaticContact CD1-CE2 3.89Å; F736-F801 HydrophobicContact CD1-CE2 3.89Å; F736-F801 AromaticContact CD1-CG 3.64Å; F736-F801 HydrophobicContact CD1-CG 3.64Å; F736-F801 HydrophobicContact CD1-CZ 4.22Å; F736-F801 HydrophobicContact CE1-CB 4.11Å; F736-F801 HydrophobicContact CE1-CD2 4.09Å; F736-F801 HydrophobicContact CE1-CG 4.12Å; F736-F801 HydrophobicContact CG-CD2 4.32Å; F736-F801 HydrophobicContact CG-CE2 4.19Å; F736-F801 HydrophobicContact CG-CZ 4.42Å; F739-F801 HydrophobicContact CB-CD1 4.23Å; F739-F801 HydrophobicContact CB-CE1 4.12Å; F739-F801 HydrophobicContact CD1-CD1 4.06Å; F739-F801 HydrophobicContact CD2-CB 4.43Å; F739-F801 AromaticContact CD2-CD1 3.67Å; F739-F801 HydrophobicContact CD2-CD1 3.67Å; F739-F801 HydrophobicContact CD2-CE1 4.3Å; F739-F801 HydrophobicContact CD2-CG 4.34Å; F739-F801 HydrophobicContact CE1-CD1 4.35Å; F739-F801 HydrophobicContact CE2-CB 3.92Å; F739-F801 AromaticContact CE2-CD1 4Å; F739-F801 HydrophobicContact CE2-CD1 4Å; F739-F801 HydrophobicContact CE2-CG 4.32Å; F739-F801 AromaticContact CG-CD1 3.71Å; F739-F801 HydrophobicContact CG-CD1 3.71Å; F739-F801 HydrophobicContact CG-CE1 4.12Å; F739-F801 HydrophobicContact CZ-CB 4.09Å; F739-F801 HydrophobicContact CZ-CD1 4.32Å; V742-F801 HydrophobicContact CG2-CE1 3.88Å; V742-F801 HydrophobicContact CG2-CZ 3.84Å; V799-F801 HydrophobicContact CB-CE2 4.39Å; V799-F801 HydrophobicContact CG1-CD2 4.29Å; V799-F801 HydrophobicContact CG1-CE1 4.18Å; V799-F801 HydrophobicContact CG1-CE2 3.65Å; V799-F801 HydrophobicContact CG1-CZ 3.59Å; F801-L1192 HydrophobicContact CD1-CD2 4.09Å; F801-L1192 HydrophobicContact CE1-CD2 4.32Å |
| 802 | R | 84.8 | Confident | 76.6 | Confident | 85 Ų | 85 | 37.6 Ų | 37.6 | 32% | 0.321 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 121.7 | 172 | -76.3 | -178.1 | 170.7 | 177.6 | -4 | 109.4 | E703 V800 | E703-R802 HydrophobicContact CB-CG 4.09Å; E703-R802 HydrophobicContact CG-CG 3.86Å; E703-R802 IonicContact OE1-NE 2.89Å; E703-R802 IonicContact OE1-NH2 3.45Å; E703-R802 IonicContact OE2-CZ 2.78Å; E703-R802 IonicContact OE2-NE 3.18Å; E703-R802 PolarHBondContact OE2-NE 3Å; E703-R802 IonicContact OE2-NH2 3.93Å; E703-R802 PolarHBondContact OE2-NH2 3.05Å; V800-R802 HydrophobicContact CG1-CG 4.22Å |
| 803 | I | 85.2 | Confident | 78.1 | Confident | 9 Ų | 9 | 33.9 Ų | 33.9 | 5% | 0.046 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 109.6 | -173.8 | -61.1 | 175.8 | 0 | 0 | 0 | 107.8 | N702 I704 F736 F739 F808 F816 | N702-I803 PolarHBondContact N-O 3.32Å; N702-I803 PolarHBondContact O-N 2.7Å; I704-I803 HydrophobicContact CG1-CD1 4.08Å; F736-I803 HydrophobicContact CE1-CD1 3.98Å; F739-I803 HydrophobicContact CE2-CD1 3.95Å; F739-I803 HydrophobicContact CE2-CG1 3.8Å; F739-I803 HydrophobicContact CZ-CG1 3.86Å; I803-F808 HydrophobicContact CG2-CE1 3.59Å; I803-F808 HydrophobicContact CG2-CE2 4.45Å; I803-F808 HydrophobicContact CG2-CZ 3.39Å; I803-F816 HydrophobicContact CD1-CD2 4.22Å; I803-F816 HydrophobicContact CD1-CE1 4.39Å; I803-F816 HydrophobicContact CD1-CE2 3.37Å; I803-F816 HydrophobicContact CD1-CZ 3.48Å; I803-F816 VanDerWaalsContact CD1-CZ 3.48Å |
| 804 | D | 80.7 | Confident | 79.1 | Confident | 17 Ų | 17 | 32.6 Ų | 32.6 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | trans | -106.7 | 117.1 | 178.5 | 177.9 | 3.2 | 0 | 0 | 0 | 110.9 | Q701 N806 Y807 | Q701-D804 HydrophobicContact CG-CB 3.93Å; Q701-D804 PolarHBondContact NE2-OD2 3.32Å; D804-N806 PolarHBondContact O-N 2.93Å; D804-N806 WeakPolarHBondContact OD1-CB 3.18Å; D804-N806 VanDerWaalsContact OD1-CG 3.25Å; D804-N806 PolarHBondContact OD1-N 3.48Å; D804-N806 PolarHBondContact OD1-ND2 2.96Å; D804-N806 PolarHBondContact OD2-ND2 2.86Å; D804-Y807 HydrophobicContact CB-CD2 3.88Å; D804-Y807 HydrophobicContact CB-CE2 4.11Å; D804-Y807 PolarHBondContact O-N 3.19Å; D804-Y807 VanDerWaalsContact O-N 3.09Å | ||
| 805 | P | 75.5 | Confident | 79.7 | Confident | 18 Ų | 18 | 36.5 Ų | 36.5 | 12% | 0.117 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -56.9 | -13.2 | 175.2 | -26.6 | 35.9 | 0 | 0 | 0 | 116.4 | N700 Y807 F808 M813 | N700-P805 HydrophobicContact CB-CG 4.5Å; N700-P805 WeakPolarHBondContact O-CD 3.48Å; N700-P805 WeakPolarHBondContact O-CG 3.45Å; P805-Y807 PolarHBondContact O-N 2.98Å; P805-F808 HydrophobicContact CB-CD2 3.78Å; P805-F808 HydrophobicContact CB-CE2 4.19Å; P805-F808 HydrophobicContact CB-CG 4.47Å; P805-F808 HydrophobicContact CG-CD2 4.21Å; P805-F808 HydrophobicContact CG-CE2 4.1Å; P805-F808 WeakPolarHBondContact O-CB 3.18Å; P805-F808 PolarHBondContact O-N 3.05Å; P805-M813 HydrophobicContact CB-CE 3.72Å; P805-M813 HydrophobicContact CG-CE 3.94Å |
| 806 | N | 67.7 | Low | 80 | Confident | 25 Ų | 25 | 36.1 Ų | 36.1 | 13% | 0.134 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -61.4 | -28.1 | 172.1 | -63.8 | -52.1 | 0 | 0 | 0 | 112.9 | D804 K899 I902 | D804-N806 PolarHBondContact O-N 2.93Å; D804-N806 WeakPolarHBondContact OD1-CB 3.18Å; D804-N806 VanDerWaalsContact OD1-CG 3.25Å; D804-N806 PolarHBondContact OD1-N 3.48Å; D804-N806 PolarHBondContact OD1-ND2 2.96Å; D804-N806 PolarHBondContact OD2-ND2 2.86Å; N806-K899 VanDerWaalsContact ND2-CE 3.31Å; N806-K899 WeakPolarHBondContact ND2-CE 3.42Å; N806-K899 VanDerWaalsContact OD1-CE 3.32Å; N806-K899 WeakPolarHBondContact OD1-CE 3.44Å; N806-K899 PolarHBondContact OD1-NZ 2.87Å; N806-I902 WeakPolarHBondContact ND2-CD1 3.48Å |
| 807 | Y | 70 | Confident | 80.2 | Confident | 98 Ų | 98 | 36.3 Ų | 36.3 | 38% | 0.384 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -96.9 | -5.4 | 180 | -56.3 | -84.9 | 0 | 0 | 0 | 113.3 | D804 P805 T1196 | D804-Y807 HydrophobicContact CB-CD2 3.88Å; D804-Y807 HydrophobicContact CB-CE2 4.11Å; D804-Y807 PolarHBondContact O-N 3.19Å; D804-Y807 VanDerWaalsContact O-N 3.09Å; P805-Y807 PolarHBondContact O-N 2.98Å; Y807-T1196 WeakPolarHBondContact CE1-O 3.27Å |
| 808 | F | 72.8 | Confident | 80.2 | Confident | 21 Ų | 21 | 39.1 Ų | 39.1 | 9% | 0.092 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 132.8 | 172.6 | -76.8 | -12.3 | 0 | 0 | 0 | 110.8 | I803 P805 E812 M813 F816 | I803-F808 HydrophobicContact CG2-CE1 3.59Å; I803-F808 HydrophobicContact CG2-CE2 4.45Å; I803-F808 HydrophobicContact CG2-CZ 3.39Å; P805-F808 HydrophobicContact CB-CD2 3.78Å; P805-F808 HydrophobicContact CB-CE2 4.19Å; P805-F808 HydrophobicContact CB-CG 4.47Å; P805-F808 HydrophobicContact CG-CD2 4.21Å; P805-F808 HydrophobicContact CG-CE2 4.1Å; P805-F808 WeakPolarHBondContact O-CB 3.18Å; P805-F808 PolarHBondContact O-N 3.05Å; F808-E812 HydrophobicContact CB-CB 3.96Å; F808-E812 HydrophobicContact CB-CG 4.4Å; F808-E812 HydrophobicContact CD1-CB 4.35Å; F808-E812 HydrophobicContact CD1-CG 3.88Å; F808-E812 HydrophobicContact CE1-CG 4.4Å; F808-E812 HydrophobicContact CG-CB 4.18Å; F808-E812 HydrophobicContact CG-CG 4.22Å; F808-M813 HydrophobicContact CD2-CB 3.76Å; F808-M813 HydrophobicContact CD2-CG 4.33Å; F808-M813 HydrophobicContact CE2-CB 4.01Å; F808-M813 HydrophobicContact CE2-CG 4.19Å; F808-F816 HydrophobicContact CE2-CB 4.36Å; F808-F816 HydrophobicContact CZ-CB 3.88Å; F808-F816 HydrophobicContact CZ-CD1 4.14Å; F808-F816 AromaticContact CZ-CG 3.99Å; F808-F816 HydrophobicContact CZ-CG 3.99Å |
| 809 | K | 70.5 | Confident | 80.2 | Confident | 39 Ų | 39 | 37.7 Ų | 37.7 | 17% | 0.17 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -75.9 | 162.5 | 169.4 | -58.7 | -168.5 | -173.8 | -179.2 | 0 | 110.1 | G811 E812 S1068 | K809-G811 PolarHBondContact O-N 2.89Å; K809-G811 VanDerWaalsContact O-N 3.16Å; K809-E812 PolarHBondContact N-OE2 2.88Å; K809-E812 WeakPolarHBondContact O-CB 3.25Å; K809-E812 PolarHBondContact O-N 3.43Å; K809-S1068 WeakPolarHBondContact CD-OG 3.19Å; K809-S1068 PolarHBondContact NZ-OG 2.74Å |
| 810 | P | 63.2 | Low | 80.2 | Confident | 71 Ų | 71 | 37.6 Ų | 37.6 | 46% | 0.461 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 122.8 | -179.4 | -28.4 | 36.3 | 0 | 0 | 0 | 112.6 | ||
| 811 | G | 70.1 | Confident | 80 | Confident | 40 Ų | 40 | 39.3 Ų | 39.3 | 41% | 0.412 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | -8.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | K809 M813 E814 M815 | K809-G811 PolarHBondContact O-N 2.89Å; K809-G811 VanDerWaalsContact O-N 3.16Å; G811-M813 VanDerWaalsContact C-N 3.29Å; G811-M813 PolarHBondContact O-N 3.22Å; G811-E814 PolarHBondContact O-N 3.49Å; G811-M815 WeakPolarHBondContact O-CG 3.42Å; G811-M815 PolarHBondContact O-N 2.92Å |
| 812 | E | 78.9 | Confident | 79.5 | Confident | 17 Ų | 17 | 46.3 Ų | 46.3 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.2 | -24.4 | -175.9 | -169.9 | 163.9 | -164.4 | 0 | 0 | 113 | Y737 R738 F808 K809 M815 F816 Q1233 | Y737-E812 WeakPolarHBondContact OH-CG 2.9Å; Y737-E812 PolarHBondContact OH-O 2.7Å; R738-E812 WeakPolarHBondContact CD-OE1 3.33Å; R738-E812 IonicContact CZ-OE1 3.99Å; R738-E812 IonicContact NE-OE1 3.09Å; R738-E812 IonicContact NH1-OE1 3.32Å; R738-E812 PolarHBondContact NH1-OE1 3Å; R738-E812 IonicContact NH1-OE2 2.87Å; F808-E812 HydrophobicContact CB-CB 3.96Å; F808-E812 HydrophobicContact CB-CG 4.4Å; F808-E812 HydrophobicContact CD1-CB 4.35Å; F808-E812 HydrophobicContact CD1-CG 3.88Å; F808-E812 HydrophobicContact CE1-CG 4.4Å; F808-E812 HydrophobicContact CG-CB 4.18Å; F808-E812 HydrophobicContact CG-CG 4.22Å; K809-E812 PolarHBondContact N-OE2 2.88Å; K809-E812 WeakPolarHBondContact O-CB 3.25Å; K809-E812 PolarHBondContact O-N 3.43Å; E812-M815 PolarHBondContact O-N 2.96Å; E812-F816 WeakPolarHBondContact O-CB 3.47Å; E812-F816 PolarHBondContact O-N 2.91Å; E812-Q1233 PolarHBondContact OE1-NE2 3.35Å; E812-Q1233 VanDerWaalsContact OE1-NE2 3.12Å; E812-Q1233 PolarHBondContact OE2-NE2 3.08Å |
| 813 | M | 81.4 | Confident | 79.3 | Confident | 46 Ų | 46 | 43.1 Ų | 43.1 | 23% | 0.227 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.1 | -47.4 | 171.7 | -171.7 | -176 | -82.2 | 0 | 0 | 112.4 | F691 P805 F808 G811 M815 F816 F817 | F691-M813 HydrophobicContact CE2-CG 4.14Å; F691-M813 HydrophobicContact CZ-CB 4.36Å; F691-M813 HydrophobicContact CZ-CG 3.86Å; F691-M813 HydrophobicContact CZ-SD 3.83Å; P805-M813 HydrophobicContact CB-CE 3.72Å; P805-M813 HydrophobicContact CG-CE 3.94Å; F808-M813 HydrophobicContact CD2-CB 3.76Å; F808-M813 HydrophobicContact CD2-CG 4.33Å; F808-M813 HydrophobicContact CE2-CB 4.01Å; F808-M813 HydrophobicContact CE2-CG 4.19Å; G811-M813 VanDerWaalsContact C-N 3.29Å; G811-M813 PolarHBondContact O-N 3.22Å; M813-M815 VanDerWaalsContact C-N 3.29Å; M813-M815 PolarHBondContact O-N 3.36Å; M813-F816 PolarHBondContact O-N 3.16Å; M813-F817 HydrophobicContact CG-CD2 3.97Å; M813-F817 HydrophobicContact CG-CE2 3.91Å; M813-F817 WeakPolarHBondContact O-CD2 3.38Å; M813-F817 PolarHBondContact O-N 2.81Å; M813-F817 VanDerWaalsContact O-N 3.1Å |
| 814 | E | 82.8 | Confident | 79.2 | Confident | 109 Ų | 109 | 43.3 Ų | 43.3 | 51% | 0.509 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.9 | -40 | 176.1 | -65.9 | 178.3 | 139.5 | 0 | 0 | 110.9 | F691 G811 N818 | F691-E814 HydrophobicContact CE1-CG 4.07Å; F691-E814 HydrophobicContact CE2-CB 4.33Å; F691-E814 HydrophobicContact CE2-CG 3.89Å; F691-E814 HydrophobicContact CZ-CB 4.45Å; F691-E814 HydrophobicContact CZ-CG 3.59Å; G811-E814 PolarHBondContact O-N 3.49Å; E814-N818 WeakPolarHBondContact O-CB 3.5Å; E814-N818 PolarHBondContact O-N 3.08Å; E814-N818 PolarHBondContact O-ND2 3.26Å |
| 815 | M | 83 | Confident | 79.5 | Confident | 108 Ų | 108 | 42.8 Ų | 42.8 | 53% | 0.532 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.6 | -39.2 | 175.9 | -66.8 | -70.2 | -67.7 | 0 | 0 | 112.3 | G811 E812 M813 Y819 I1236 | G811-M815 WeakPolarHBondContact O-CG 3.42Å; G811-M815 PolarHBondContact O-N 2.92Å; E812-M815 PolarHBondContact O-N 2.96Å; M813-M815 VanDerWaalsContact C-N 3.29Å; M813-M815 PolarHBondContact O-N 3.36Å; M815-Y819 WeakPolarHBondContact O-CB 3.19Å; M815-Y819 PolarHBondContact O-N 2.99Å; M815-I1236 HydrophobicContact CB-CD1 4.49Å; M815-I1236 HydrophobicContact CE-CD1 4.03Å |
| 816 | F | 88.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.4 | -48.1 | 177.3 | 174.6 | -111.3 | 0 | 0 | 0 | 112.4 | I704 F736 Y737 I803 F808 E812 M813 Y819 L820 | I704-F816 HydrophobicContact CD1-CZ 4.44Å; I704-F816 HydrophobicContact CG1-CZ 4.4Å; F736-F816 HydrophobicContact CZ-CE2 4.19Å; Y737-F816 HydrophobicContact CD1-CD2 4.01Å; Y737-F816 AromaticContact CD2-CD2 3.96Å; Y737-F816 HydrophobicContact CD2-CD2 3.96Å; Y737-F816 HydrophobicContact CE1-CB 4.46Å; Y737-F816 HydrophobicContact CE1-CD2 4.07Å; Y737-F816 HydrophobicContact CE2-CB 4.08Å; Y737-F816 AromaticContact CE2-CD2 3.99Å; Y737-F816 HydrophobicContact CE2-CD2 3.99Å; Y737-F816 AromaticContact CG-CD2 3.97Å; Y737-F816 HydrophobicContact CG-CD2 3.97Å; Y737-F816 HydrophobicContact CG-CE2 4.46Å; I803-F816 HydrophobicContact CD1-CD2 4.22Å; I803-F816 HydrophobicContact CD1-CE1 4.39Å; I803-F816 HydrophobicContact CD1-CE2 3.37Å; I803-F816 HydrophobicContact CD1-CZ 3.48Å; I803-F816 VanDerWaalsContact CD1-CZ 3.48Å; F808-F816 HydrophobicContact CE2-CB 4.36Å; F808-F816 HydrophobicContact CZ-CB 3.88Å; F808-F816 HydrophobicContact CZ-CD1 4.14Å; F808-F816 AromaticContact CZ-CG 3.99Å; F808-F816 HydrophobicContact CZ-CG 3.99Å; E812-F816 WeakPolarHBondContact O-CB 3.47Å; E812-F816 PolarHBondContact O-N 2.91Å; M813-F816 PolarHBondContact O-N 3.16Å; F816-Y819 WeakPolarHBondContact O-CB 3.34Å; F816-Y819 PolarHBondContact O-N 3.04Å; F816-L820 HydrophobicContact CE1-CD1 3.78Å; F816-L820 HydrophobicContact CE1-CG 4.4Å; F816-L820 HydrophobicContact CE2-CD1 4.38Å; F816-L820 HydrophobicContact CE2-CD2 4.28Å; F816-L820 HydrophobicContact CE2-CG 4.22Å; F816-L820 HydrophobicContact CZ-CD1 3.69Å; F816-L820 HydrophobicContact CZ-CD2 4.24Å; F816-L820 HydrophobicContact CZ-CG 4.03Å; F816-L820 PolarHBondContact O-N 3.3Å; F816-L820 VanDerWaalsContact O-N 3.09Å |
| 817 | F | 88.6 | Confident | 81.2 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.5 | -34.3 | 178.5 | -74.2 | -71.3 | 0 | 0 | 0 | 112.7 | F689 F691 E694 M813 Y819 L820 L821 | F689-F817 HydrophobicContact CE2-CD1 4.41Å; F689-F817 HydrophobicContact CZ-CB 3.84Å; F689-F817 HydrophobicContact CZ-CD1 4.34Å; F689-F817 HydrophobicContact CZ-CG 4.2Å; F691-F817 HydrophobicContact CD2-CB 4.42Å; F691-F817 HydrophobicContact CD2-CD2 4.43Å; F691-F817 HydrophobicContact CE2-CB 4.41Å; F691-F817 AromaticContact CE2-CD2 3.9Å; F691-F817 HydrophobicContact CE2-CD2 3.9Å; E694-F817 HydrophobicContact CB-CD2 4.3Å; E694-F817 HydrophobicContact CB-CE1 3.98Å; E694-F817 HydrophobicContact CB-CE2 3.74Å; E694-F817 HydrophobicContact CB-CZ 3.57Å; E694-F817 HydrophobicContact CG-CD1 4Å; E694-F817 HydrophobicContact CG-CE1 3.71Å; E694-F817 HydrophobicContact CG-CE2 4.28Å; E694-F817 HydrophobicContact CG-CG 4.42Å; E694-F817 HydrophobicContact CG-CZ 3.86Å; M813-F817 HydrophobicContact CG-CD2 3.97Å; M813-F817 HydrophobicContact CG-CE2 3.91Å; M813-F817 WeakPolarHBondContact O-CD2 3.38Å; M813-F817 PolarHBondContact O-N 2.81Å; M813-F817 VanDerWaalsContact O-N 3.1Å; F817-Y819 VanDerWaalsContact C-N 3.33Å; F817-Y819 PolarHBondContact O-N 2.99Å; F817-L820 HydrophobicContact CD1-CD1 4.16Å; F817-L820 HydrophobicContact CE1-CD1 4.41Å; F817-L820 PolarHBondContact O-N 2.95Å; F817-L821 WeakPolarHBondContact O-CD1 3.29Å; F817-L821 VanDerWaalsContact O-CG 3.25Å; F817-L821 WeakPolarHBondContact O-CG 3.41Å; F817-L821 PolarHBondContact O-N 3Å |
| 818 | N | 85.5 | Confident | 82.2 | Confident | 67 Ų | 67 | 37.4 Ų | 37.4 | 36% | 0.358 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.4 | -38.6 | 170.7 | -86.6 | -77.1 | 0 | 0 | 0 | 112.6 | E814 L821 R822 | E814-N818 WeakPolarHBondContact O-CB 3.5Å; E814-N818 PolarHBondContact O-N 3.08Å; E814-N818 PolarHBondContact O-ND2 3.26Å; N818-L821 PolarHBondContact O-N 3.35Å; N818-R822 WeakPolarHBondContact O-CB 3.45Å; N818-R822 WeakPolarHBondContact O-CG 3.37Å; N818-R822 PolarHBondContact O-N 3.33Å; N818-R822 PolarHBondContact OD1-NE 3.46Å |
| 819 | Y | 88.3 | Confident | 83.1 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 4% | 0.039 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -46 | 173.7 | 168.2 | -99.2 | 0 | 0 | 0 | 111.9 | F736 Y737 M815 F816 F817 L821 T823 L845 I1236 | F736-Y819 AromaticContact CD2-CE1 3.86Å; F736-Y819 HydrophobicContact CD2-CE1 3.86Å; F736-Y819 AromaticContact CE2-CE1 3.74Å; F736-Y819 HydrophobicContact CE2-CE1 3.74Å; Y737-Y819 AromaticContact CD2-CD1 3.59Å; Y737-Y819 HydrophobicContact CD2-CD1 3.59Å; Y737-Y819 HydrophobicContact CD2-CD2 4.38Å; Y737-Y819 HydrophobicContact CD2-CE1 4.15Å; Y737-Y819 AromaticContact CD2-CG 3.72Å; Y737-Y819 HydrophobicContact CD2-CG 3.72Å; Y737-Y819 HydrophobicContact CE2-CG 4.42Å; Y737-Y819 HydrophobicContact CG-CD1 4.22Å; Y737-Y819 HydrophobicContact CG-CE1 4.41Å; Y737-Y819 VanDerWaalsContact N-CZ 3.26Å; Y737-Y819 PolarHBondContact N-OH 3.36Å; M815-Y819 WeakPolarHBondContact O-CB 3.19Å; M815-Y819 PolarHBondContact O-N 2.99Å; F816-Y819 WeakPolarHBondContact O-CB 3.34Å; F816-Y819 PolarHBondContact O-N 3.04Å; F817-Y819 VanDerWaalsContact C-N 3.33Å; F817-Y819 PolarHBondContact O-N 2.99Å; Y819-L821 VanDerWaalsContact C-N 3.31Å; Y819-L821 PolarHBondContact O-N 2.81Å; Y819-T823 HydrophobicContact CD2-CG2 4.03Å; Y819-T823 VanDerWaalsContact CD2-OG1 3.27Å; Y819-T823 WeakPolarHBondContact CD2-OG1 3.31Å; Y819-T823 HydrophobicContact CE2-CG2 3.64Å; Y819-T823 VanDerWaalsContact O-CB 3.27Å; Y819-T823 WeakPolarHBondContact O-CB 3.43Å; Y819-T823 PolarHBondContact O-N 2.85Å; Y819-T823 PolarHBondContact O-OG1 3.21Å; Y819-L845 HydrophobicContact CD1-CD1 4.15Å; Y819-L845 HydrophobicContact CE1-CD1 3.41Å; Y819-L845 VanDerWaalsContact CE1-CD1 3.41Å; Y819-L845 HydrophobicContact CE2-CD1 4.45Å; Y819-I1236 HydrophobicContact CD2-CG2 3.39Å; Y819-I1236 HydrophobicContact CE2-CG2 3.82Å; Y819-I1236 HydrophobicContact CG-CG2 4.22Å |
| 820 | L | 89.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.6 | -43.6 | 174.6 | -67.2 | -176.5 | 0 | 0 | 0 | 111.7 | F736 F816 F817 L845 K846 L848 | F736-L820 HydrophobicContact CE2-CD2 4Å; F736-L820 HydrophobicContact CZ-CD2 4.09Å; F816-L820 HydrophobicContact CE1-CD1 3.78Å; F816-L820 HydrophobicContact CE1-CG 4.4Å; F816-L820 HydrophobicContact CE2-CD1 4.38Å; F816-L820 HydrophobicContact CE2-CD2 4.28Å; F816-L820 HydrophobicContact CE2-CG 4.22Å; F816-L820 HydrophobicContact CZ-CD1 3.69Å; F816-L820 HydrophobicContact CZ-CD2 4.24Å; F816-L820 HydrophobicContact CZ-CG 4.03Å; F816-L820 PolarHBondContact O-N 3.3Å; F816-L820 VanDerWaalsContact O-N 3.09Å; F817-L820 HydrophobicContact CD1-CD1 4.16Å; F817-L820 HydrophobicContact CE1-CD1 4.41Å; F817-L820 PolarHBondContact O-N 2.95Å; L820-L845 HydrophobicContact CD2-CB 4.13Å; L820-L845 HydrophobicContact CD2-CD1 4.37Å; L820-L845 CarbonylContact O-C 3.57Å; L820-L845 VanDerWaalsContact O-CB 3.31Å; L820-L845 WeakPolarHBondContact O-CB 3.49Å; L820-K846 WeakPolarHBondContact O-CA 3.28Å; L820-K846 PolarHBondContact O-N 3.06Å; L820-L848 HydrophobicContact CD1-CB 4.2Å; L820-L848 HydrophobicContact CD2-CB 4.24Å; L820-L848 HydrophobicContact CD2-CD1 4.2Å |
| 821 | L | 84.3 | Confident | 85.3 | Confident | 42 Ų | 42 | 33.3 Ų | 33.3 | 22% | 0.22 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.2 | -37.1 | -176.4 | -70.2 | 162 | 0 | 0 | 0 | 114.3 | F689 F817 N818 Y819 | F689-L821 HydrophobicContact CB-CD1 4.02Å; F689-L821 HydrophobicContact CB-CD2 3.79Å; F689-L821 HydrophobicContact CD1-CD1 3.35Å; F689-L821 HydrophobicContact CD2-CD1 3.7Å; F689-L821 HydrophobicContact CD2-CD2 3.66Å; F689-L821 HydrophobicContact CD2-CG 4.12Å; F689-L821 HydrophobicContact CE1-CD1 3.6Å; F689-L821 HydrophobicContact CE2-CD1 3.93Å; F689-L821 HydrophobicContact CE2-CD2 4.38Å; F689-L821 HydrophobicContact CE2-CG 4.45Å; F689-L821 HydrophobicContact CG-CD1 3.4Å; F689-L821 HydrophobicContact CG-CD2 3.76Å; F689-L821 HydrophobicContact CG-CG 4.17Å; F689-L821 HydrophobicContact CZ-CD1 3.9Å; F817-L821 WeakPolarHBondContact O-CD1 3.29Å; F817-L821 VanDerWaalsContact O-CG 3.25Å; F817-L821 WeakPolarHBondContact O-CG 3.41Å; F817-L821 PolarHBondContact O-N 3Å; N818-L821 PolarHBondContact O-N 3.35Å; Y819-L821 VanDerWaalsContact C-N 3.31Å; Y819-L821 PolarHBondContact O-N 2.81Å |
| 822 | R | 77.4 | Confident | 86.2 | Confident | 147 Ų | 147 | 31.5 Ų | 31.5 | 56% | 0.555 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -110.4 | -16.1 | -165.3 | -62.3 | 177.4 | 177.3 | -89 | 1.2 | 114.8 | N818 | N818-R822 WeakPolarHBondContact O-CB 3.45Å; N818-R822 WeakPolarHBondContact O-CG 3.37Å; N818-R822 PolarHBondContact O-N 3.33Å; N818-R822 PolarHBondContact OD1-NE 3.46Å |
| 823 | T | 81.4 | Confident | 86.7 | Confident | 17 Ų | 17 | 33 Ų | 33 | 10% | 0.104 | 16% | 0.155 | C | C | . | . | trans | -101.7 | 125.6 | -173.1 | -51.5 | 0 | 0 | 0 | 0 | 112.1 | Y819 | Y819-T823 HydrophobicContact CD2-CG2 4.03Å; Y819-T823 VanDerWaalsContact CD2-OG1 3.27Å; Y819-T823 WeakPolarHBondContact CD2-OG1 3.31Å; Y819-T823 HydrophobicContact CE2-CG2 3.64Å; Y819-T823 VanDerWaalsContact O-CB 3.27Å; Y819-T823 WeakPolarHBondContact O-CB 3.43Å; Y819-T823 PolarHBondContact O-N 2.85Å; Y819-T823 PolarHBondContact O-OG1 3.21Å | ||
| 824 | T | 82.5 | Confident | 87 | Confident | 14 Ų | 14 | 31 Ų | 31 | 9% | 0.086 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 114.8 | 162.9 | 41.2 | 0 | 0 | 0 | 0 | 109.1 | F641 I843 E844 | F641-T824 HydrophobicContact CE1-CG2 4.19Å; T824-I843 CarbonylContact C-O 3.58Å; T824-I843 WeakPolarHBondContact CA-O 3.32Å; T824-E844 HydrophobicContact CG2-CG 3.83Å |
| 825 | M | 87.5 | Confident | 87.3 | Confident | 5 Ų | 5 | 27.3 Ų | 27.3 | 3% | 0.025 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 132.6 | -179.1 | -170.4 | -165.7 | 63.6 | 0 | 0 | 110.9 | F706 F734 F736 I827 I843 L845 | F706-M825 HydrophobicContact CD2-CE 4.3Å; F706-M825 HydrophobicContact CE2-CE 3.44Å; F706-M825 VanDerWaalsContact CE2-CE 3.44Å; F706-M825 HydrophobicContact CE2-SD 3.47Å; F706-M825 WeakPolarHBondContact CE2-SD 3.23Å; F706-M825 HydrophobicContact CZ-CE 3.89Å; F706-M825 HydrophobicContact CZ-SD 3.7Å; F734-M825 HydrophobicContact CD2-CE 4.38Å; F734-M825 HydrophobicContact CD2-SD 4.01Å; F736-M825 HydrophobicContact CB-SD 4.33Å; F736-M825 HydrophobicContact CD2-SD 4.25Å; M825-I827 HydrophobicContact CE-CD1 3.71Å; M825-I827 HydrophobicContact CE-CG1 3.65Å; M825-I843 HydrophobicContact CE-CD1 4.23Å; M825-I843 PolarHBondContact N-O 2.99Å; M825-I843 PolarHBondContact O-N 3.48Å; M825-L845 HydrophobicContact CB-CD1 4.02Å; M825-L845 HydrophobicContact CB-CD2 3.99Å; M825-L845 HydrophobicContact CB-CG 4Å; M825-L845 HydrophobicContact SD-CD2 4.41Å |
| 826 | Q | 88.3 | Confident | 87.5 | Confident | 25 Ų | 25 | 22.7 Ų | 22.7 | 12% | 0.117 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 133.7 | 177.7 | -170.3 | 177.6 | -33.1 | 0 | 0 | 111.7 | F734 D828 T840 M842 S1240 | F734-Q826 WeakPolarHBondContact CB-O 3.38Å; Q826-D828 PolarHBondContact NE2-OD1 2.94Å; Q826-T840 HydrophobicContact CG-CG2 3.32Å; Q826-M842 HydrophobicContact CB-CE 4.34Å; Q826-M842 HydrophobicContact CB-SD 3.66Å; Q826-M842 HydrophobicContact CG-CE 4.24Å; Q826-M842 HydrophobicContact CG-SD 3.81Å; Q826-S1240 VanDerWaalsContact CD-O 3.29Å; Q826-S1240 PolarHBondContact NE2-O 3.29Å; Q826-S1240 PolarHBondContact OE1-O 2.85Å |
| 827 | I | 90.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 123.4 | 167.7 | -51.1 | -175.2 | 0 | 0 | 0 | 109.3 | F708 F732 F734 M825 C841 I843 L890 | F708-I827 HydrophobicContact CE1-CD1 3.99Å; F708-I827 HydrophobicContact CE1-CG2 4.35Å; F708-I827 HydrophobicContact CZ-CD1 4.09Å; F732-I827 HydrophobicContact CB-CG2 3.79Å; F732-I827 HydrophobicContact CD1-CG2 3.95Å; F732-I827 HydrophobicContact CG-CG2 4.21Å; F734-I827 HydrophobicContact CB-CB 4.29Å; F734-I827 HydrophobicContact CB-CG1 3.89Å; F734-I827 HydrophobicContact CB-CG2 4.29Å; F734-I827 HydrophobicContact CD1-CG2 4.32Å; F734-I827 HydrophobicContact CG-CG1 4.29Å; M825-I827 HydrophobicContact CE-CD1 3.71Å; M825-I827 HydrophobicContact CE-CG1 3.65Å; I827-C841 PolarHBondContact N-O 3.18Å; I827-C841 PolarHBondContact O-N 3.3Å; I827-I843 HydrophobicContact CD1-CD1 3.39Å; I827-I843 HydrophobicContact CG1-CD1 3.87Å; I827-L890 HydrophobicContact CD1-CD2 3.87Å |
| 828 | D | 90.9 | Very high | 87.4 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 135.1 | 175.9 | -45.9 | -65.6 | 0 | 0 | 0 | 110.5 | F732 T733 Q826 L837 T840 R1242 | F732-D828 WeakPolarHBondContact CA-O 3.44Å; T733-D828 PolarHBondContact N-O 3.42Å; T733-D828 PolarHBondContact O-N 3.5Å; T733-D828 PolarHBondContact OG1-OD2 3.2Å; Q826-D828 PolarHBondContact NE2-OD1 2.94Å; D828-L837 HydrophobicContact CB-CD1 3.79Å; D828-T840 VanDerWaalsContact OD1-CG2 3.29Å; D828-T840 WeakPolarHBondContact OD1-CG2 3.36Å; D828-T840 PolarHBondContact OD1-OG1 3.02Å; D828-R1242 IonicContact OD1-NH1 3.83Å; D828-R1242 IonicContact OD2-CZ 2.82Å; D828-R1242 IonicContact OD2-NH1 2.71Å; D828-R1242 PolarHBondContact OD2-NH1 2.69Å; D828-R1242 IonicContact OD2-NH2 3.23Å |
| 829 | V | 91.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 116.9 | -172.2 | -170.6 | 0 | 0 | 0 | 0 | 110 | Y711 I730 F732 L837 L838 G839 I864 | Y711-V829 HydrophobicContact CE2-CG1 4.39Å; I730-V829 HydrophobicContact CD1-CG1 4.38Å; F732-V829 HydrophobicContact CD1-CB 4.34Å; F732-V829 HydrophobicContact CD1-CG1 4.16Å; F732-V829 HydrophobicContact CD1-CG2 3.94Å; F732-V829 HydrophobicContact CE1-CB 4.33Å; F732-V829 HydrophobicContact CE1-CG1 3.77Å; F732-V829 HydrophobicContact CE1-CG2 3.9Å; V829-L837 WeakPolarHBondContact O-CD1 3.47Å; V829-L838 HydrophobicContact CG1-CD1 4.34Å; V829-L838 WeakPolarHBondContact O-CB 3.5Å; V829-L838 PolarHBondContact O-N 3.24Å; V829-G839 PolarHBondContact N-O 2.71Å; V829-G839 PolarHBondContact O-N 2.88Å; V829-I864 HydrophobicContact CB-CG2 4.4Å; V829-I864 HydrophobicContact CG2-CD1 4.04Å; V829-I864 HydrophobicContact CG2-CG1 4.22Å; V829-I864 HydrophobicContact CG2-CG2 4.17Å |
| 830 | W | 90.8 | Very high | 87.4 | Confident | 13 Ų | 13 | 22.6 Ų | 22.6 | 5% | 0.049 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 143 | -173.5 | -62.3 | 86.9 | 0 | 0 | 0 | 112.3 | I730 Y731 T733 A832 H835 L837 F1244 H1341 | I730-W830 CarbonylContact C-O 3.58Å; I730-W830 WeakPolarHBondContact CA-O 3.37Å; I730-W830 VanDerWaalsContact CB-O 3.26Å; I730-W830 WeakPolarHBondContact CB-O 3.42Å; I730-W830 WeakPolarHBondContact CG2-O 3.46Å; Y731-W830 HydrophobicContact CD1-CB 3.96Å; Y731-W830 HydrophobicContact CD2-CB 3.89Å; Y731-W830 AromaticContact CD2-CD1 3.83Å; Y731-W830 HydrophobicContact CD2-CG 4.02Å; Y731-W830 HydrophobicContact CE1-CB 3.6Å; Y731-W830 HydrophobicContact CE1-CG 4.29Å; Y731-W830 HydrophobicContact CE2-CB 3.52Å; Y731-W830 AromaticContact CE2-CD1 3.4Å; Y731-W830 VanDerWaalsContact CE2-CD1 3.4Å; Y731-W830 HydrophobicContact CE2-CD2 4.05Å; Y731-W830 AromaticContact CE2-CG 3.38Å; Y731-W830 HydrophobicContact CE2-CG 3.38Å; Y731-W830 AromaticContact CE2-NE1 3.99Å; Y731-W830 HydrophobicContact CG-CB 4.09Å; Y731-W830 AromaticContact CZ-CG 3.54Å; Y731-W830 PolarHBondContact N-O 2.91Å; Y731-W830 PolarHBondContact O-N 2.93Å; T733-W830 PolarHBondContact OG1-NE1 3.09Å; W830-A832 PolarHBondContact O-N 3.48Å; W830-H835 WeakPolarHBondContact CZ3-O 3.44Å; W830-L837 HydrophobicContact CD2-CB 4.44Å; W830-L837 HydrophobicContact CD2-CD1 3.97Å; W830-L837 HydrophobicContact CE3-CB 3.99Å; W830-L837 HydrophobicContact CE3-CD1 4.37Å; W830-L837 HydrophobicContact CG-CD1 4.34Å; W830-L837 HydrophobicContact CH2-CB 4.41Å; W830-L837 HydrophobicContact CZ2-CD1 4.32Å; W830-L837 HydrophobicContact CZ3-CB 3.96Å; W830-F1244 HydrophobicContact CH2-CZ 4.31Å; W830-F1244 HydrophobicContact CZ3-CZ 4.45Å; W830-H1341 AromaticContact CH2-CE1 3.94Å; W830-H1341 AromaticContact CH2-NE2 3.98Å |
| 831 | N | 89.1 | Confident | 87.3 | Confident | 32 Ų | 32 | 22.6 Ų | 22.6 | 17% | 0.171 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 119.1 | 164.3 | 177.6 | -23.9 | 0 | 0 | 0 | 109.3 | K833 S834 H835 I836 L838 | N831-K833 VanDerWaalsContact C-N 3.32Å; N831-K833 PolarHBondContact O-N 3.49Å; N831-K833 PolarHBondContact OD1-N 2.87Å; N831-S834 WeakPolarHBondContact CB-OG 3.41Å; N831-S834 PolarHBondContact ND2-OG 3.29Å; N831-S834 PolarHBondContact O-N 2.86Å; N831-H835 WeakPolarHBondContact O-CA 3.28Å; N831-H835 PolarHBondContact O-N 3.48Å; N831-I836 PolarHBondContact N-O 3.36Å; N831-L838 HydrophobicContact CB-CD1 4.16Å; N831-L838 HydrophobicContact CB-CD2 4.15Å; N831-L838 HydrophobicContact CB-CG 4.13Å |
| 832 | A | 89.4 | Confident | 87.3 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 2% | 0.017 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -27.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q729 Y731 T746 W830 | Q729-A832 HydrophobicContact CB-CB 3.72Å; Q729-A832 PolarHBondContact O-N 3.44Å; Y731-A832 HydrophobicContact CD1-CB 3.89Å; T746-A832 HydrophobicContact CG2-CB 3.71Å; W830-A832 PolarHBondContact O-N 3.48Å |
| 833 | K | 87.7 | Confident | 87.8 | Confident | 49 Ų | 49 | 16.3 Ų | 16.3 | 21% | 0.213 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -37.9 | 179 | -72.5 | -169.7 | -173.7 | 176.2 | 0 | 112.6 | E728 N831 Y1380 | E728-K833 VanDerWaalsContact OE2-CE 3.24Å; E728-K833 WeakPolarHBondContact OE2-CE 3.24Å; E728-K833 IonicContact OE2-NZ 2.73Å; E728-K833 PolarHBondContact OE2-NZ 3.46Å; N831-K833 VanDerWaalsContact C-N 3.32Å; N831-K833 PolarHBondContact O-N 3.49Å; N831-K833 PolarHBondContact OD1-N 2.87Å; K833-Y1380 HydrophobicContact CB-CE1 3.99Å; K833-Y1380 HydrophobicContact CB-CE2 4.39Å; K833-Y1380 HydrophobicContact CD-CE1 4.26Å; K833-Y1380 WeakPolarHBondContact O-CE2 3.17Å |
| 834 | S | 88 | Confident | 88 | Confident | 3 Ų | 3 | 16.8 Ų | 16.8 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -17.1 | -169.4 | 65.4 | 0 | 0 | 0 | 0 | 114.1 | N831 I836 N1436 | N831-S834 WeakPolarHBondContact CB-OG 3.41Å; N831-S834 PolarHBondContact ND2-OG 3.29Å; N831-S834 PolarHBondContact O-N 2.86Å; S834-I836 PolarHBondContact O-N 2.95Å; S834-I836 PolarHBondContact OG-N 3.24Å; S834-N1436 WeakPolarHBondContact O-CB 3.44Å; S834-N1436 PolarHBondContact O-ND2 2.69Å |
| 835 | H | 89.1 | Confident | 88.3 | Confident | 31 Ų | 31 | 16.2 Ų | 16.2 | 14% | 0.144 | 8% | 0.081 | C | C | . | . | trans | 50.3 | 34 | -168 | -52.4 | -83.5 | 0 | 0 | 0 | 112.9 | Y731 W830 N831 N1436 Q1443 V1445 | Y731-H835 AromaticContact CE1-ND1 3.66Å; Y731-H835 AromaticContact CZ-ND1 3.78Å; Y731-H835 PolarHBondContact OH-ND1 3.32Å; Y731-H835 VanDerWaalsContact OH-ND1 3.11Å; W830-H835 WeakPolarHBondContact CZ3-O 3.44Å; N831-H835 WeakPolarHBondContact O-CA 3.28Å; N831-H835 PolarHBondContact O-N 3.48Å; H835-N1436 PolarHBondContact O-ND2 3.27Å; H835-Q1443 PolarHBondContact CE1-O 3.36Å; H835-Q1443 VanDerWaalsContact NE2-C 3.33Å; H835-Q1443 PolarHBondContact NE2-O 3.21Å; H835-Q1443 VanDerWaalsContact NE2-O 3.13Å; H835-V1445 HydrophobicContact CB-CG2 3.6Å | ||
| 836 | I | 88.7 | Confident | 88.3 | Confident | 11 Ų | 11 | 18.9 Ų | 18.9 | 6% | 0.056 | 9% | 0.092 | C | C | . | . | trans | -91.5 | 133.1 | 168.1 | -62.4 | 178.4 | 0 | 0 | 0 | 107 | N831 S834 L838 T1381 Q1434 N1436 | N831-I836 PolarHBondContact N-O 3.36Å; S834-I836 PolarHBondContact O-N 2.95Å; S834-I836 PolarHBondContact OG-N 3.24Å; I836-L838 PolarHBondContact O-N 3.35Å; I836-T1381 VanDerWaalsContact CD1-C 3.44Å; I836-Q1434 HydrophobicContact CD1-CG 4.43Å; I836-Q1434 HydrophobicContact CG1-CG 4.26Å; I836-N1436 WeakPolarHBondContact CG1-ND2 3.44Å | ||
| 837 | L | 88.2 | Confident | 88.2 | Confident | 20 Ų | 20 | 17.9 Ų | 17.9 | 11% | 0.105 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 122.8 | 174.1 | -177.2 | 67.4 | 0 | 0 | 0 | 108.4 | D828 V829 W830 G839 S867 F1244 | D828-L837 HydrophobicContact CB-CD1 3.79Å; V829-L837 WeakPolarHBondContact O-CD1 3.47Å; W830-L837 HydrophobicContact CD2-CB 4.44Å; W830-L837 HydrophobicContact CD2-CD1 3.97Å; W830-L837 HydrophobicContact CE3-CB 3.99Å; W830-L837 HydrophobicContact CE3-CD1 4.37Å; W830-L837 HydrophobicContact CG-CD1 4.34Å; W830-L837 HydrophobicContact CH2-CB 4.41Å; W830-L837 HydrophobicContact CZ2-CD1 4.32Å; W830-L837 HydrophobicContact CZ3-CB 3.96Å; L837-G839 WeakPolarHBondContact CD1-O 3.5Å; L837-S867 WeakPolarHBondContact CD2-OG 3.31Å; L837-F1244 HydrophobicContact CB-CE2 4.18Å; L837-F1244 HydrophobicContact CB-CZ 3.8Å; L837-F1244 HydrophobicContact CD2-CE2 3.8Å; L837-F1244 HydrophobicContact CD2-CZ 4.04Å |
| 838 | L | 86.1 | Confident | 88.2 | Confident | 36 Ų | 36 | 17.9 Ų | 17.9 | 19% | 0.188 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -30.1 | 175.4 | -62.8 | 169.3 | 0 | 0 | 0 | 110.8 | P727 I730 V829 N831 I836 | P727-L838 HydrophobicContact CB-CD1 4.31Å; P727-L838 HydrophobicContact CG-CD1 3.88Å; I730-L838 HydrophobicContact CG2-CD1 3.83Å; V829-L838 HydrophobicContact CG1-CD1 4.34Å; V829-L838 WeakPolarHBondContact O-CB 3.5Å; V829-L838 PolarHBondContact O-N 3.24Å; N831-L838 HydrophobicContact CB-CD1 4.16Å; N831-L838 HydrophobicContact CB-CD2 4.15Å; N831-L838 HydrophobicContact CB-CG 4.13Å; I836-L838 PolarHBondContact O-N 3.35Å |
| 839 | G | 86.4 | Confident | 88.2 | Confident | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158 | -172 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V829 L837 L865 | V829-G839 PolarHBondContact N-O 2.71Å; V829-G839 PolarHBondContact O-N 2.88Å; L837-G839 WeakPolarHBondContact CD1-O 3.5Å; G839-L865 CarbonylContact C-O 3.6Å; G839-L865 WeakPolarHBondContact CA-O 3.44Å |
| 840 | T | 87.5 | Confident | 88 | Confident | 22 Ų | 22 | 18 Ų | 18 | 14% | 0.135 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141 | -176.1 | -66.1 | 0 | 0 | 0 | 0 | 109.7 | Q826 D828 L865 | Q826-T840 HydrophobicContact CG-CG2 3.32Å; D828-T840 VanDerWaalsContact OD1-CG2 3.29Å; D828-T840 WeakPolarHBondContact OD1-CG2 3.36Å; D828-T840 PolarHBondContact OD1-OG1 3.02Å; T840-L865 PolarHBondContact N-O 3.18Å; T840-L865 PolarHBondContact O-N 2.77Å |
| 841 | C | 87.4 | Confident | 87.8 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.007 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 153.2 | 172.7 | 65 | 0 | 0 | 0 | 0 | 111.6 | I827 E863 I864 | I827-C841 PolarHBondContact N-O 3.18Å; I827-C841 PolarHBondContact O-N 3.3Å; C841-E863 WeakPolarHBondContact CB-O 3.42Å; C841-I864 HydrophobicContact CB-CG1 4.21Å |
| 842 | M | 85.4 | Confident | 87.5 | Confident | 57 Ų | 57 | 20 Ų | 20 | 28% | 0.281 | 11% | 0.111 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 140.5 | -177.3 | -65.8 | -62.1 | -151 | 0 | 0 | 110.4 | H647 Q826 T862 | H647-M842 PolarHBondContact CE1-O 3.01Å; Q826-M842 HydrophobicContact CB-CE 4.34Å; Q826-M842 HydrophobicContact CB-SD 3.66Å; Q826-M842 HydrophobicContact CG-CE 4.24Å; Q826-M842 HydrophobicContact CG-SD 3.81Å; M842-T862 WeakPolarHBondContact O-CG2 3.26Å |
| 843 | I | 86.5 | Confident | 87.4 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 127.8 | -177.2 | -60 | 143.6 | 0 | 0 | 0 | 110.3 | T824 M825 I827 Y860 T862 L890 L892 | T824-I843 CarbonylContact C-O 3.58Å; T824-I843 WeakPolarHBondContact CA-O 3.32Å; M825-I843 HydrophobicContact CE-CD1 4.23Å; M825-I843 PolarHBondContact N-O 2.99Å; M825-I843 PolarHBondContact O-N 3.48Å; I827-I843 HydrophobicContact CD1-CD1 3.39Å; I827-I843 HydrophobicContact CG1-CD1 3.87Å; I843-Y860 HydrophobicContact CG2-CD2 3.67Å; I843-Y860 HydrophobicContact CG2-CE2 3.76Å; I843-Y860 HydrophobicContact CG2-CG 4.15Å; I843-T862 HydrophobicContact CG1-CG2 3.68Å; I843-L890 HydrophobicContact CD1-CD2 3.44Å; I843-L890 VanDerWaalsContact CD1-CD2 3.44Å; I843-L890 HydrophobicContact CG1-CD2 4.48Å; I843-L892 HydrophobicContact CG2-CD1 3.77Å |
| 844 | E | 85.5 | Confident | 87.4 | Confident | 27 Ų | 27 | 24.4 Ų | 24.4 | 13% | 0.126 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 136 | 170 | -71 | 177.6 | 130.8 | 0 | 0 | 112.2 | H647 T824 K846 Y860 | H647-E844 IonicContact CD2-OE2 2.71Å; H647-E844 PolarHBondContact CD2-OE2 2.96Å; H647-E844 IonicContact NE2-OE2 2.93Å; T824-E844 HydrophobicContact CG2-CG 3.83Å; E844-K846 HydrophobicContact CB-CD 4.47Å; E844-K846 HydrophobicContact CB-CG 4.4Å; E844-K846 VanDerWaalsContact CD-CE 3.47Å; E844-K846 WeakPolarHBondContact OE1-CE 3.18Å; E844-K846 IonicContact OE1-NZ 3.54Å; E844-K846 PolarHBondContact OE1-NZ 2.94Å; E844-K846 WeakPolarHBondContact OE2-CE 3.46Å; E844-K846 IonicContact OE2-NZ 2.7Å; E844-K846 PolarHBondContact OE2-NZ 2.91Å; E844-Y860 PolarHBondContact O-OH 3.35Å |
| 845 | L | 89.5 | Confident | 87.6 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | trans | -93 | -8.9 | 178.1 | -62.9 | 178.9 | 0 | 0 | 0 | 113.9 | F706 F736 Y819 L820 M825 H847 L848 L892 | F706-L845 HydrophobicContact CZ-CD2 4.47Å; F736-L845 HydrophobicContact CD2-CD1 4.22Å; F736-L845 HydrophobicContact CE2-CD1 4.02Å; F736-L845 HydrophobicContact CE2-CD2 4.44Å; Y819-L845 HydrophobicContact CD1-CD1 4.15Å; Y819-L845 HydrophobicContact CE1-CD1 3.41Å; Y819-L845 VanDerWaalsContact CE1-CD1 3.41Å; Y819-L845 HydrophobicContact CE2-CD1 4.45Å; L820-L845 HydrophobicContact CD2-CB 4.13Å; L820-L845 HydrophobicContact CD2-CD1 4.37Å; L820-L845 CarbonylContact O-C 3.57Å; L820-L845 VanDerWaalsContact O-CB 3.31Å; L820-L845 WeakPolarHBondContact O-CB 3.49Å; M825-L845 HydrophobicContact CB-CD1 4.02Å; M825-L845 HydrophobicContact CB-CD2 3.99Å; M825-L845 HydrophobicContact CB-CG 4Å; M825-L845 HydrophobicContact SD-CD2 4.41Å; L845-H847 VanDerWaalsContact C-N 3.25Å; L845-H847 PolarHBondContact O-N 2.87Å; L845-H847 VanDerWaalsContact O-N 3.09Å; L845-L848 HydrophobicContact CD2-CD1 4.03Å; L845-L848 VanDerWaalsContact O-CB 3.31Å; L845-L848 WeakPolarHBondContact O-CB 3.44Å; L845-L848 PolarHBondContact O-N 3.19Å; L845-L892 HydrophobicContact CD2-CD1 4.48Å | ||
| 846 | K | 86.6 | Confident | 87.8 | Confident | 60 Ų | 60 | 23 Ų | 23 | 26% | 0.261 | 12% | 0.123 | S | C | . | . | G | 310 helix | trans | -57.3 | -33 | -166.7 | 67.6 | -165.5 | 179.8 | -165.6 | 0 | 114.4 | I686 L820 E844 L848 C849 | I686-K846 HydrophobicContact CD1-CB 4.06Å; I686-K846 HydrophobicContact CD1-CG 4.05Å; I686-K846 WeakPolarHBondContact CD1-O 3.48Å; L820-K846 WeakPolarHBondContact O-CA 3.28Å; L820-K846 PolarHBondContact O-N 3.06Å; E844-K846 HydrophobicContact CB-CD 4.47Å; E844-K846 HydrophobicContact CB-CG 4.4Å; E844-K846 VanDerWaalsContact CD-CE 3.47Å; E844-K846 WeakPolarHBondContact OE1-CE 3.18Å; E844-K846 IonicContact OE1-NZ 3.54Å; E844-K846 PolarHBondContact OE1-NZ 2.94Å; E844-K846 WeakPolarHBondContact OE2-CE 3.46Å; E844-K846 IonicContact OE2-NZ 2.7Å; E844-K846 PolarHBondContact OE2-NZ 2.91Å; K846-L848 PolarHBondContact O-N 3.42Å; K846-C849 PolarHBondContact O-N 3.36Å |
| 847 | H | 87.6 | Confident | 87.9 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.019 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -76.9 | 3.3 | 179.2 | -52.1 | -99.1 | 0 | 0 | 0 | 114 | I679 D684 L845 I858 Y860 | I679-H847 HydrophobicContact CD1-CB 4.16Å; I679-H847 WeakPolarHBondContact CD1-O 3.38Å; I679-H847 HydrophobicContact CG2-CB 4.24Å; D684-H847 PolarHBondContact O-CE1 3.24Å; D684-H847 VanDerWaalsContact O-CE1 3.31Å; L845-H847 VanDerWaalsContact C-N 3.25Å; L845-H847 PolarHBondContact O-N 2.87Å; L845-H847 VanDerWaalsContact O-N 3.09Å; H847-I858 HydrophobicContact CB-CD1 3.46Å; H847-I858 VanDerWaalsContact CB-CD1 3.46Å; H847-I858 HydrophobicContact CB-CG2 4.43Å; H847-I858 VanDerWaalsContact CG-CD1 3.45Å; H847-Y860 PolarHBondContact CD2-OH 2.86Å |
| 848 | L | 91 | Very high | 88 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -85.8 | -9.6 | 169.1 | -69.5 | 170.4 | 0 | 0 | 0 | 113.4 | I704 F706 L820 L845 K846 R850 L892 A893 N894 | I704-L848 HydrophobicContact CG2-CD1 4.15Å; F706-L848 HydrophobicContact CE1-CD1 4.48Å; L820-L848 HydrophobicContact CD1-CB 4.2Å; L820-L848 HydrophobicContact CD2-CB 4.24Å; L820-L848 HydrophobicContact CD2-CD1 4.2Å; L845-L848 HydrophobicContact CD2-CD1 4.03Å; L845-L848 VanDerWaalsContact O-CB 3.31Å; L845-L848 WeakPolarHBondContact O-CB 3.44Å; L845-L848 PolarHBondContact O-N 3.19Å; K846-L848 PolarHBondContact O-N 3.42Å; L848-R850 PolarHBondContact O-N 2.96Å; L848-L892 HydrophobicContact CD1-CD1 4.46Å; L848-L892 HydrophobicContact CD2-CB 4.09Å; L848-A893 WeakPolarHBondContact CD2-O 3.34Å; L848-N894 HydrophobicContact CB-CB 4.41Å; L848-N894 HydrophobicContact CD2-CB 4.05Å; L848-N894 WeakPolarHBondContact O-CB 3.41Å; L848-N894 PolarHBondContact O-ND2 3.25Å |
| 849 | C | 89.4 | Confident | 88.1 | Confident | 5 Ų | 5 | 22.6 Ų | 22.6 | 3% | 0.034 | 12% | 0.121 | C | C | . | . | trans | -65.6 | 124.8 | 169.2 | -67.2 | 0 | 0 | 0 | 0 | 109.9 | F689 K846 Q851 | F689-C849 HydrophobicContact CD2-CB 4.11Å; F689-C849 HydrophobicContact CE2-CB 4Å; K846-C849 PolarHBondContact O-N 3.36Å; C849-Q851 HydrophobicContact CB-CG 4.4Å | ||
| 850 | R | 88.5 | Confident | 88.1 | Confident | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | trans | -83.4 | -27.9 | -173.6 | -79.4 | -172.6 | -59.5 | 106.4 | -1.5 | 112.5 | E694 D697 L699 N702 L848 G852 R853 V856 N894 G896 | E694-R850 PolarHBondContact OE1-N 3.5Å; D697-R850 IonicContact OD2-CZ 3.89Å; D697-R850 VanDerWaalsContact OD2-CZ 3.27Å; D697-R850 IonicContact OD2-NH1 2.79Å; D697-R850 PolarHBondContact OD2-NH1 2.94Å; D697-R850 IonicContact OD2-NH2 3.67Å; D697-R850 PolarHBondContact OD2-NH2 3.01Å; L699-R850 PolarHBondContact O-NH2 2.79Å; N702-R850 PolarHBondContact OD1-NE 3.4Å; N702-R850 VanDerWaalsContact OD1-NE 3.11Å; N702-R850 PolarHBondContact OD1-NH2 2.89Å; L848-R850 PolarHBondContact O-N 2.96Å; R850-G852 PolarHBondContact O-N 2.95Å; R850-R853 WeakPolarHBondContact CB-O 3.45Å; R850-R853 PolarHBondContact NH1-O 3.29Å; R850-R853 WeakPolarHBondContact O-CB 3.33Å; R850-R853 WeakPolarHBondContact O-CG 3.32Å; R850-R853 PolarHBondContact O-N 3.41Å; R850-V856 HydrophobicContact CG-CG1 4.26Å; R850-V856 HydrophobicContact CG-CG2 3.9Å; R850-N894 WeakPolarHBondContact CD-O 3.48Å; R850-N894 HydrophobicContact CG-CB 4.1Å; R850-G896 VanDerWaalsContact CZ-CA 3.49Å | ||
| 851 | Q | 86.6 | Confident | 87.9 | Confident | 33 Ų | 33 | 22.8 Ų | 22.8 | 15% | 0.154 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 38.8 | 176.7 | -64.5 | -64.2 | -82.3 | 0 | 0 | 113.5 | F689 K693 E694 C849 | F689-Q851 HydrophobicContact CD2-CG 4.49Å; K693-Q851 HydrophobicContact CD-CB 4.36Å; K693-Q851 WeakPolarHBondContact CD-O 3.45Å; E694-Q851 VanDerWaalsContact CD-N 3.34Å; E694-Q851 PolarHBondContact OE1-N 2.81Å; E694-Q851 PolarHBondContact OE1-NE2 2.72Å; E694-Q851 PolarHBondContact OE2-N 2.65Å; C849-Q851 HydrophobicContact CB-CG 4.4Å |
| 852 | G | 81.8 | Confident | 87.7 | Confident | 52 Ų | 52 | 22.8 Ų | 22.8 | 54% | 0.536 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 8.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R850 | R850-G852 PolarHBondContact O-N 2.95Š|
| 853 | R | 87.1 | Confident | 87.5 | Confident | 80 Ų | 80 | 21.8 Ų | 21.8 | 30% | 0.302 | 12% | 0.117 | S | C | . | . | trans | -81.7 | 143 | 168.8 | -59 | 167.3 | 176.9 | 166 | -3.2 | 109.6 | F677 D684 R850 A855 V856 | F677-R853 VanDerWaalsContact CE1-CZ 3.49Å; D684-R853 IonicContact OD2-CZ 2.73Å; D684-R853 IonicContact OD2-NH1 3.54Å; D684-R853 PolarHBondContact OD2-NH1 2.86Å; D684-R853 IonicContact OD2-NH2 3.81Å; R850-R853 WeakPolarHBondContact CB-O 3.45Å; R850-R853 PolarHBondContact NH1-O 3.29Å; R850-R853 WeakPolarHBondContact O-CB 3.33Å; R850-R853 WeakPolarHBondContact O-CG 3.32Å; R850-R853 PolarHBondContact O-N 3.41Å; R853-A855 PolarHBondContact O-N 2.94Å; R853-V856 HydrophobicContact CB-CG1 4.02Å; R853-V856 HydrophobicContact CG-CG1 4.39Å | ||
| 854 | E | 88.7 | Confident | 87.4 | Confident | 65 Ų | 65 | 21.8 Ų | 21.8 | 30% | 0.304 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -60.1 | -45.3 | 177.7 | 177.6 | 170.2 | 136.6 | 0 | 0 | 111.9 | T670 N672 L699 G896 | T670-E854 WeakPolarHBondContact CB-OE1 3.37Å; T670-E854 HydrophobicContact CG2-CG 4.05Å; T670-E854 PolarHBondContact OG1-OE1 2.85Å; N672-E854 VanDerWaalsContact ND2-CD 3.26Å; N672-E854 PolarHBondContact ND2-OE1 3.16Å; N672-E854 PolarHBondContact ND2-OE2 2.87Å; N672-E854 VanDerWaalsContact ND2-OE2 3.08Å; L699-E854 HydrophobicContact CD1-CB 4.07Å; L699-E854 HydrophobicContact CD1-CG 3.86Å; E854-G896 PolarHBondContact O-N 3.5Å |
| 855 | A | 92.1 | Very high | 87.2 | Confident | 4 Ų | 4 | 21.8 Ų | 21.8 | 3% | 0.033 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 151.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T670 P676 F677 R853 N894 I895 | T670-A855 HydrophobicContact CG2-CB 3.65Å; P676-A855 HydrophobicContact CB-CB 3.73Å; F677-A855 WeakPolarHBondContact CB-O 3.48Å; F677-A855 PolarHBondContact N-O 2.92Å; R853-A855 PolarHBondContact O-N 2.94Å; A855-N894 CarbonylContact C-O 3.45Å; A855-N894 WeakPolarHBondContact CA-O 3.38Å; A855-N894 WeakPolarHBondContact CB-O 3.48Å; A855-I895 HydrophobicContact CB-CB 4.18Å; A855-I895 HydrophobicContact CB-CG1 3.91Å; A855-I895 HydrophobicContact CB-CG2 4.26Å |
| 856 | V | 92.1 | Very high | 86.4 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 149.8 | 173.5 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | F677 I679 R850 R853 A893 N894 | F677-V856 CarbonylContact O-C 3.58Å; F677-V856 WeakPolarHBondContact O-CA 3.14Å; I679-V856 HydrophobicContact CD1-CB 3.85Å; I679-V856 HydrophobicContact CD1-CG1 4Å; I679-V856 HydrophobicContact CD1-CG2 4.45Å; R850-V856 HydrophobicContact CG-CG1 4.26Å; R850-V856 HydrophobicContact CG-CG2 3.9Å; R853-V856 HydrophobicContact CB-CG1 4.02Å; R853-V856 HydrophobicContact CG-CG1 4.39Å; V856-A893 CarbonylContact O-C 3.58Å; V856-A893 WeakPolarHBondContact O-CA 3.16Å; V856-A893 VanDerWaalsContact O-CB 3.27Å; V856-A893 WeakPolarHBondContact O-CB 3.35Å; V856-N894 HydrophobicContact CG2-CB 3.97Å; V856-N894 PolarHBondContact N-O 3.04Å; V856-N894 PolarHBondContact O-N 2.99Å |
| 857 | Q | 92.6 | Very high | 85.1 | Confident | 27 Ų | 27 | 21.9 Ų | 21.9 | 13% | 0.126 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 141.5 | 178.4 | 175.3 | -175.1 | -103.7 | 0 | 0 | 109.3 | P676 F677 T678 I679 R891 L892 A893 | P676-Q857 HydrophobicContact CB-CB 3.91Å; P676-Q857 HydrophobicContact CG-CB 3.62Å; P676-Q857 HydrophobicContact CG-CG 4.3Å; F677-Q857 PolarHBondContact O-N 3.24Å; T678-Q857 CarbonylContact C-O 3.5Å; T678-Q857 VanDerWaalsContact CA-O 3.31Å; T678-Q857 WeakPolarHBondContact CA-O 3.45Å; T678-Q857 PolarHBondContact OG1-NE2 2.9Å; I679-Q857 PolarHBondContact N-O 2.97Å; Q857-R891 HydrophobicContact CG-CG 3.96Å; Q857-L892 CarbonylContact C-O 3.59Å; Q857-L892 WeakPolarHBondContact CA-O 3.32Å; Q857-A893 HydrophobicContact CB-CB 4.28Å |
| 858 | I | 90.4 | Very high | 83.3 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 152.9 | 173.4 | -168.1 | 158.8 | 0 | 0 | 0 | 109.7 | I679 P681 H847 Y860 R891 L892 | I679-I858 HydrophobicContact CB-CB 4.44Å; I679-I858 HydrophobicContact CB-CD1 4.23Å; I679-I858 HydrophobicContact CG2-CD1 3.93Å; P681-I858 HydrophobicContact CB-CD1 3.92Å; P681-I858 HydrophobicContact CG-CD1 4.25Å; P681-I858 HydrophobicContact CG-CG1 4.46Å; H847-I858 HydrophobicContact CB-CD1 3.46Å; H847-I858 VanDerWaalsContact CB-CD1 3.46Å; H847-I858 HydrophobicContact CB-CG2 4.43Å; H847-I858 VanDerWaalsContact CG-CD1 3.45Å; I858-Y860 HydrophobicContact CD1-CE2 4.03Å; I858-Y860 HydrophobicContact CG1-CD2 4.45Å; I858-Y860 HydrophobicContact CG1-CE2 4.11Å; I858-Y860 HydrophobicContact CG2-CD2 4.1Å; I858-Y860 HydrophobicContact CG2-CE2 3.71Å; I858-R891 CarbonylContact O-C 3.58Å; I858-R891 WeakPolarHBondContact O-CA 3.47Å; I858-L892 HydrophobicContact CG2-CB 3.84Å; I858-L892 PolarHBondContact N-O 3.01Å; I858-L892 PolarHBondContact O-N 3.48Å; I858-L892 VanDerWaalsContact O-O 3.12Å |
| 859 | T | 88.3 | Confident | 81.1 | Confident | 28 Ų | 28 | 28.8 Ų | 28.8 | 17% | 0.172 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 119.6 | 175.8 | -56.3 | 0 | 0 | 0 | 0 | 109.3 | L709 L889 L890 | L709-T859 HydrophobicContact CD1-CG2 4.38Å; T859-L889 HydrophobicContact CG2-CD1 3.94Å; T859-L889 HydrophobicContact CG2-CG 4.47Å; T859-L890 CarbonylContact C-O 3.43Å; T859-L890 WeakPolarHBondContact CA-O 3.32Å |
| 860 | Y | 85.8 | Confident | 78.9 | Confident | 6 Ų | 6 | 31.8 Ų | 31.8 | 2% | 0.024 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.7 | 179 | -77.1 | -77.9 | 0 | 0 | 0 | 111 | P681 I843 E844 H847 I858 L889 L890 L892 | P681-Y860 HydrophobicContact CB-CE1 4.01Å; P681-Y860 HydrophobicContact CG-CE1 4.45Å; I843-Y860 HydrophobicContact CG2-CD2 3.67Å; I843-Y860 HydrophobicContact CG2-CE2 3.76Å; I843-Y860 HydrophobicContact CG2-CG 4.15Å; E844-Y860 PolarHBondContact O-OH 3.35Å; H847-Y860 PolarHBondContact CD2-OH 2.86Å; I858-Y860 HydrophobicContact CD1-CE2 4.03Å; I858-Y860 HydrophobicContact CG1-CD2 4.45Å; I858-Y860 HydrophobicContact CG1-CE2 4.11Å; I858-Y860 HydrophobicContact CG2-CD2 4.1Å; I858-Y860 HydrophobicContact CG2-CE2 3.71Å; Y860-L889 WeakPolarHBondContact O-CA 3.26Å; Y860-L890 PolarHBondContact N-O 3.22Å; Y860-L890 PolarHBondContact O-N 3.36Å; Y860-L892 HydrophobicContact CD2-CD1 4.17Å; Y860-L892 HydrophobicContact CE2-CD1 4.18Å |
| 861 | S | 83.6 | Confident | 76.6 | Confident | 22 Ų | 22 | 36.4 Ų | 36.4 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 117.7 | 153.7 | 177.1 | 0 | 0 | 0 | 0 | 106.7 | L888 | S861-L888 WeakPolarHBondContact CA-O 3.47Å |
| 862 | T | 82.2 | Confident | 74.4 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 138.2 | 177.9 | 58 | 0 | 0 | 0 | 0 | 111.4 | M842 I843 C887 L888 | M842-T862 WeakPolarHBondContact O-CG2 3.26Å; I843-T862 HydrophobicContact CG1-CG2 3.68Å; T862-C887 CarbonylContact O-C 3.57Å; T862-C887 WeakPolarHBondContact O-CA 3.27Å; T862-L888 PolarHBondContact N-O 3Å; T862-L888 PolarHBondContact O-N 2.92Å |
| 863 | E | 82.1 | Confident | 72.2 | Confident | 36 Ų | 36 | 39.7 Ų | 39.7 | 17% | 0.168 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 145.9 | 177.3 | -51.8 | -178 | 151.5 | 0 | 0 | 110.2 | I646 H648 C841 I884 | I646-E863 HydrophobicContact CG2-CB 3.91Å; I646-E863 HydrophobicContact CG2-CG 4.23Å; H648-E863 IonicContact CD2-OE1 2.72Å; C841-E863 WeakPolarHBondContact CB-O 3.42Å; E863-I884 HydrophobicContact CB-CG1 4.46Å; E863-I884 HydrophobicContact CB-CG2 4.03Å; E863-I884 WeakPolarHBondContact OE2-CD1 3.42Å |
| 864 | I | 84.3 | Confident | 69.8 | Low | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 109.7 | -178.7 | -59.2 | 167.6 | 0 | 0 | 0 | 107 | Y711 V829 C841 Q885 G886 L888 | Y711-I864 HydrophobicContact CD2-CD1 3.75Å; Y711-I864 HydrophobicContact CE2-CD1 3.57Å; V829-I864 HydrophobicContact CB-CG2 4.4Å; V829-I864 HydrophobicContact CG2-CD1 4.04Å; V829-I864 HydrophobicContact CG2-CG1 4.22Å; V829-I864 HydrophobicContact CG2-CG2 4.17Å; C841-I864 HydrophobicContact CB-CG1 4.21Å; I864-Q885 PolarHBondContact O-N 2.83Å; I864-G886 PolarHBondContact N-O 3.28Å; I864-L888 HydrophobicContact CD1-CB 4.19Å; I864-L888 HydrophobicContact CG1-CB 4.35Å |
| 865 | L | 81.2 | Confident | 67.2 | Low | 27 Ų | 27 | 46.6 Ų | 46.6 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 142.9 | -178.5 | -57.4 | -169.3 | 0 | 0 | 0 | 111.9 | L643 I646 G839 T840 S867 P882 I884 | L643-L865 HydrophobicContact CD1-CD1 4.47Å; I646-L865 HydrophobicContact CD1-CD1 3.75Å; I646-L865 HydrophobicContact CD1-CG 4.33Å; G839-L865 CarbonylContact C-O 3.6Å; G839-L865 WeakPolarHBondContact CA-O 3.44Å; T840-L865 PolarHBondContact N-O 3.18Å; T840-L865 PolarHBondContact O-N 2.77Å; L865-S867 PolarHBondContact O-N 2.99Å; L865-P882 HydrophobicContact CD1-CB 4.49Å; L865-P882 HydrophobicContact CD2-CB 4.13Å; L865-P882 HydrophobicContact CD2-CG 4.29Å; L865-I884 HydrophobicContact CD2-CG1 4.05Å |
| 866 | N | 72.4 | Confident | 64.2 | Low | 29 Ų | 29 | 50.2 Ų | 50.2 | 16% | 0.155 | 27% | 0.269 | C | S | . | . | trans | -63.3 | 122.8 | 170.2 | -171.2 | -14.4 | 0 | 0 | 0 | 111.1 | N868 D869 D883 Q885 | N866-N868 PolarHBondContact O-N 3.39Å; N866-N868 WeakPolarHBondContact OD1-CB 3.19Å; N866-N868 PolarHBondContact OD1-N 2.81Å; N866-N868 VanDerWaalsContact OD1-N 3.1Å; N866-N868 PolarHBondContact OD1-ND2 2.82Å; N866-D869 PolarHBondContact O-N 2.79Å; N866-D883 HydrophobicContact CB-CB 4.05Å; N866-D883 PolarHBondContact N-O 2.88Å; N866-D883 VanDerWaalsContact N-O 3.09Å; N866-D883 PolarHBondContact ND2-OD2 2.86Å; N866-Q885 HydrophobicContact CB-CG 3.85Å | ||
| 867 | S | 59.6 | Low | 61.2 | Low | 34 Ų | 34 | 55.4 Ų | 55.4 | 24% | 0.238 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -2.8 | -178.6 | 103.7 | 0 | 0 | 0 | 0 | 114.3 | L837 L865 | L837-S867 WeakPolarHBondContact CD2-OG 3.31Å; L865-S867 PolarHBondContact O-N 2.99Å |
| 868 | N | 50 | Low | 58.2 | Low | 72 Ų | 72 | 58.4 Ų | 58.4 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -17.1 | 175.2 | -67.9 | -59 | 0 | 0 | 0 | 112.9 | N866 N870 | N866-N868 PolarHBondContact O-N 3.39Å; N866-N868 WeakPolarHBondContact OD1-CB 3.19Å; N866-N868 PolarHBondContact OD1-N 2.81Å; N866-N868 VanDerWaalsContact OD1-N 3.1Å; N866-N868 PolarHBondContact OD1-ND2 2.82Å; N868-N870 VanDerWaalsContact C-N 3.32Å; N868-N870 PolarHBondContact O-N 3.45Å; N868-N870 PolarHBondContact O-ND2 2.92Å |
| 869 | D | 44.7 | Very low | 55.6 | Low | 79 Ų | 79 | 64.3 Ų | 64.3 | 42% | 0.422 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -69.7 | 91 | 170.9 | -78.5 | -4 | 0 | 0 | 0 | 108.8 | N866 L871 D883 | N866-D869 PolarHBondContact O-N 2.79Å; D869-L871 VanDerWaalsContact C-N 3.28Å; D869-L871 PolarHBondContact O-N 3.01Å; D869-D883 WeakPolarHBondContact OD2-CB 3.46Å; D869-D883 PolarHBondContact OD2-N 2.87Å |
| 870 | N | 42.9 | Very low | 53.3 | Low | 68 Ų | 68 | 67.7 Ų | 67.7 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | trans | -68.4 | 88.4 | 171.8 | -80.1 | -73.4 | 0 | 0 | 0 | 109.4 | N868 F872 D873 K1253 | N868-N870 VanDerWaalsContact C-N 3.32Å; N868-N870 PolarHBondContact O-N 3.45Å; N868-N870 PolarHBondContact O-ND2 2.92Å; N870-F872 PolarHBondContact O-N 2.93Å; N870-D873 HydrophobicContact CB-CB 3.87Å; N870-D873 PolarHBondContact O-N 2.78Å; N870-K1253 PolarHBondContact OD1-NZ 2.88Å | ||
| 871 | L | 40.7 | Very low | 51.3 | Low | 99 Ų | 99 | 72.6 Ų | 72.6 | 52% | 0.518 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 8.8 | 170.7 | -81.1 | 158.6 | 0 | 0 | 0 | 115.7 | L643 D869 | L643-L871 HydrophobicContact CD1-CD1 4.01Å; L643-L871 HydrophobicContact CD1-CD2 4.2Å; D869-L871 VanDerWaalsContact C-N 3.28Å; D869-L871 PolarHBondContact O-N 3.01Å |
| 872 | F | 39.5 | Very low | 49.9 | Very low | 74 Ų | 74 | 73.6 Ų | 73.6 | 33% | 0.325 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.3 | -12.7 | -171.9 | -64.2 | -72.2 | 0 | 0 | 0 | 115.4 | L642 N870 L1255 | L642-F872 HydrophobicContact CD1-CE2 4.24Å; L642-F872 HydrophobicContact CD1-CZ 3.95Å; L642-F872 HydrophobicContact CD2-CE1 4.37Å; L642-F872 HydrophobicContact CD2-CE2 4.37Å; L642-F872 HydrophobicContact CD2-CZ 3.73Å; L642-F872 HydrophobicContact CG-CZ 4.43Å; N870-F872 PolarHBondContact O-N 2.93Å; F872-L1255 HydrophobicContact CD2-CD2 4.32Å; F872-L1255 HydrophobicContact CE2-CD2 4.29Å |
| 873 | D | 36.7 | Very low | 49.1 | Very low | 80 Ų | 80 | 76.8 Ų | 76.8 | 43% | 0.428 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -33.4 | -165.2 | -68.6 | 2.3 | 0 | 0 | 0 | 115.8 | N870 E875 K1253 | N870-D873 HydrophobicContact CB-CB 3.87Å; N870-D873 PolarHBondContact O-N 2.78Å; D873-E875 PolarHBondContact O-N 2.97Å; D873-K1253 IonicContact OD1-NZ 3.14Å; D873-K1253 PolarHBondContact OD1-NZ 3.33Å; D873-K1253 IonicContact OD2-NZ 3.56Å; D873-K1253 PolarHBondContact OD2-NZ 3.07Å |
| 874 | D | 35.8 | Very low | 48.5 | Very low | 135 Ų | 135 | 77.4 Ų | 77.4 | 72% | 0.722 | 46% | 0.455 | S | S | * | . | trans | -95.9 | 91.3 | -178 | -87.5 | -48 | 0 | 0 | 0 | 111.9 | S876 | D874-S876 PolarHBondContact O-N 3.28Å; D874-S876 VanDerWaalsContact O-N 3.15Å | ||
| 875 | E | 33.3 | Very low | 48 | Very low | 155 Ų | 155 | 80.2 Ų | 80.2 | 72% | 0.724 | 47% | 0.468 | S | S | * | . | trans | -71.7 | 5.9 | 171.4 | -67.7 | -170 | 157 | 0 | 0 | 113.6 | D873 R1256 | D873-E875 PolarHBondContact O-N 2.97Å; E875-R1256 IonicContact OE1-CZ 2.69Å; E875-R1256 IonicContact OE1-NH1 2.99Å; E875-R1256 PolarHBondContact OE1-NH1 2.96Å; E875-R1256 IonicContact OE1-NH2 3.3Å; E875-R1256 PolarHBondContact OE1-NH2 3.45Å | ||
| 876 | S | 30 | Very low | 47.8 | Very low | 80 Ų | 80 | 79 Ų | 79 | 56% | 0.559 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -120.4 | 121.4 | -177.6 | 64.3 | 0 | 0 | 0 | 0 | 114 | D874 | D874-S876 PolarHBondContact O-N 3.28Å; D874-S876 VanDerWaalsContact O-N 3.15Å |
| 877 | S | 28.3 | Very low | 48.4 | Very low | 109 Ų | 109 | 78.5 Ų | 78.5 | 76% | 0.762 | 46% | 0.46 | S | S | * | . | S | Bend | trans | 79.2 | 98.6 | 170.5 | 64.3 | 0 | 0 | 0 | 0 | 119.6 | ||
| 878 | S | 30 | Very low | 49.7 | Very low | 90 Ų | 90 | 76.9 Ų | 76.9 | 63% | 0.629 | 45% | 0.449 | S | S | * | . | trans | 57.5 | 96.9 | 134.6 | 59.8 | 0 | 0 | 0 | 0 | 120.7 | S880 | S878-S880 VanDerWaalsContact C-N 3.26Å; S878-S880 PolarHBondContact O-N 2.83Å | ||
| 879 | S | 35.8 | Very low | 51.6 | Low | 126 Ų | 126 | 73.5 Ų | 73.5 | 88% | 0.881 | 43% | 0.431 | S | S | * | . | 52.4 | 18.8 | 119.9 | 70.1 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 880 | S | 39.5 | Very low | 53.7 | Low | 99 Ų | 99 | 69.8 Ų | 69.8 | 69% | 0.692 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 137.1 | 168.5 | 45.9 | 0 | 0 | 0 | 0 | 110.4 | S878 | S878-S880 VanDerWaalsContact C-N 3.26Å; S878-S880 PolarHBondContact O-N 2.83Å |
| 881 | P | 45.7 | Very low | 56 | Low | 110 Ų | 110 | 68.3 Ų | 68.3 | 71% | 0.714 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 156.8 | 165.3 | 30.2 | -34.7 | 0 | 0 | 0 | 109.9 | ||
| 882 | P | 53.5 | Low | 58.5 | Low | 42 Ų | 42 | 63.6 Ų | 63.6 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 146.9 | -179.5 | 29 | -38.1 | 0 | 0 | 0 | 111.7 | L643 L865 I884 | L643-P882 HydrophobicContact CD2-CB 4.41Å; L643-P882 HydrophobicContact CD2-CG 3.8Å; L865-P882 HydrophobicContact CD1-CB 4.49Å; L865-P882 HydrophobicContact CD2-CB 4.13Å; L865-P882 HydrophobicContact CD2-CG 4.29Å; P882-I884 PolarHBondContact O-N 2.95Å |
| 883 | D | 64.6 | Low | 61.1 | Low | 67 Ų | 67 | 60 Ų | 60 | 36% | 0.358 | 36% | 0.36 | S | S | . | . | trans | -75.4 | 91.9 | -177 | -175.7 | 42.5 | 0 | 0 | 0 | 111.8 | N866 D869 Q885 | N866-D883 HydrophobicContact CB-CB 4.05Å; N866-D883 PolarHBondContact N-O 2.88Å; N866-D883 VanDerWaalsContact N-O 3.09Å; N866-D883 PolarHBondContact ND2-OD2 2.86Å; D869-D883 WeakPolarHBondContact OD2-CB 3.46Å; D869-D883 PolarHBondContact OD2-N 2.87Å; D883-Q885 PolarHBondContact O-N 2.81Å; D883-Q885 PolarHBondContact OD2-NE2 3.22Å | ||
| 884 | I | 69.3 | Low | 63.8 | Low | 49 Ų | 49 | 56.2 Ų | 56.2 | 25% | 0.251 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 110 | 179.2 | -59.5 | 161 | 0 | 0 | 0 | 109.9 | F714 E863 L865 P882 G886 | F714-I884 HydrophobicContact CD2-CG2 3.96Å; F714-I884 WeakPolarHBondContact CD2-O 3.43Å; F714-I884 HydrophobicContact CE2-CB 4.5Å; F714-I884 HydrophobicContact CE2-CG2 3.69Å; E863-I884 HydrophobicContact CB-CG1 4.46Å; E863-I884 HydrophobicContact CB-CG2 4.03Å; E863-I884 WeakPolarHBondContact OE2-CD1 3.42Å; L865-I884 HydrophobicContact CD2-CG1 4.05Å; P882-I884 PolarHBondContact O-N 2.95Å; I884-G886 WeakPolarHBondContact CG2-O 3.46Å |
| 885 | Q | 73.9 | Confident | 66.6 | Low | 61 Ų | 61 | 50 Ų | 50 | 29% | 0.285 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -14.8 | -178.8 | -69.6 | -70 | -35.2 | 0 | 0 | 113.3 | F714 I864 N866 D883 | F714-Q885 PolarHBondContact N-O 2.9Å; I864-Q885 PolarHBondContact O-N 2.83Å; N866-Q885 HydrophobicContact CB-CG 3.85Å; D883-Q885 PolarHBondContact O-N 2.81Å; D883-Q885 PolarHBondContact OD2-NE2 3.22Å |
| 886 | G | 78.5 | Confident | 69.3 | Low | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.7 | -170.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S712 I864 I884 | S712-G886 CarbonylContact O-C 3.44Å; S712-G886 WeakPolarHBondContact O-CA 3.37Å; I864-G886 PolarHBondContact N-O 3.28Å; I884-G886 WeakPolarHBondContact CG2-O 3.46Å |
| 887 | C | 84.4 | Confident | 71.9 | Confident | 19 Ų | 19 | 40.5 Ų | 40.5 | 13% | 0.128 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 135.5 | 171 | -56.3 | 0 | 0 | 0 | 0 | 110.4 | S712 F764 T862 | S712-C887 PolarHBondContact N-O 2.89Å; S712-C887 PolarHBondContact O-N 2.88Å; F764-C887 HydrophobicContact CE1-CB 3.77Å; F764-C887 HydrophobicContact CZ-CB 3.63Å; T862-C887 CarbonylContact O-C 3.57Å; T862-C887 WeakPolarHBondContact O-CA 3.27Å |
| 888 | L | 87.8 | Confident | 74.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 132.9 | 172.3 | -177.3 | 60.7 | 0 | 0 | 0 | 109.8 | F708 F732 S861 T862 I864 | F708-L888 HydrophobicContact CD1-CD1 4.37Å; F708-L888 HydrophobicContact CD1-CD2 4.2Å; F708-L888 HydrophobicContact CE1-CD2 4.17Å; F732-L888 HydrophobicContact CD1-CD2 4.34Å; F732-L888 HydrophobicContact CE1-CD1 3.63Å; F732-L888 HydrophobicContact CE1-CD2 3.88Å; F732-L888 HydrophobicContact CE1-CG 4.4Å; F732-L888 HydrophobicContact CE2-CD1 4.47Å; F732-L888 HydrophobicContact CZ-CD1 3.46Å; F732-L888 VanDerWaalsContact CZ-CD1 3.46Å; F732-L888 HydrophobicContact CZ-CD2 4.38Å; S861-L888 WeakPolarHBondContact CA-O 3.47Å; T862-L888 PolarHBondContact N-O 3Å; T862-L888 PolarHBondContact O-N 2.92Å; I864-L888 HydrophobicContact CD1-CB 4.19Å; I864-L888 HydrophobicContact CG1-CB 4.35Å |
| 889 | L | 88.4 | Confident | 75.7 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 112.2 | 169.9 | -172.3 | 72.2 | 0 | 0 | 0 | 109.9 | L652 I660 L709 A710 F764 T859 Y860 | L652-L889 HydrophobicContact CD1-CD1 3.68Å; L652-L889 HydrophobicContact CD1-CD2 3.66Å; L652-L889 HydrophobicContact CD1-CG 4.34Å; L652-L889 HydrophobicContact CG-CD1 4.43Å; I660-L889 HydrophobicContact CD1-CD2 3.54Å; L709-L889 HydrophobicContact CB-CB 4.48Å; L709-L889 HydrophobicContact CB-CD2 3.96Å; L709-L889 HydrophobicContact CB-CG 4.17Å; L709-L889 HydrophobicContact CD1-CD2 4.07Å; L709-L889 HydrophobicContact CD1-CG 4.19Å; L709-L889 PolarHBondContact N-O 2.93Å; A710-L889 HydrophobicContact CB-CB 4.05Å; A710-L889 HydrophobicContact CB-CD2 4.07Å; A710-L889 PolarHBondContact N-O 3.5Å; A710-L889 WeakPolarHBondContact O-CB 3.5Å; A710-L889 PolarHBondContact O-N 2.8Å; F764-L889 HydrophobicContact CD1-CB 4.1Å; F764-L889 HydrophobicContact CE1-CB 3.91Å; T859-L889 HydrophobicContact CG2-CD1 3.94Å; T859-L889 HydrophobicContact CG2-CG 4.47Å; Y860-L889 WeakPolarHBondContact O-CA 3.26Å |
| 890 | L | 90.2 | Very high | 76.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.6 | -176.4 | -174.1 | 69.2 | 0 | 0 | 0 | 110.2 | F708 I827 I843 T859 Y860 L892 | F708-L890 HydrophobicContact CB-CD1 4.31Å; F708-L890 HydrophobicContact CD1-CD1 3.63Å; F708-L890 HydrophobicContact CD2-CD1 3.93Å; F708-L890 HydrophobicContact CE1-CD1 3.83Å; F708-L890 HydrophobicContact CE2-CD1 4.1Å; F708-L890 HydrophobicContact CG-CD1 3.68Å; F708-L890 HydrophobicContact CZ-CD1 4.05Å; I827-L890 HydrophobicContact CD1-CD2 3.87Å; I843-L890 HydrophobicContact CD1-CD2 3.44Å; I843-L890 VanDerWaalsContact CD1-CD2 3.44Å; I843-L890 HydrophobicContact CG1-CD2 4.48Å; T859-L890 CarbonylContact C-O 3.43Å; T859-L890 WeakPolarHBondContact CA-O 3.32Å; Y860-L890 PolarHBondContact N-O 3.22Å; Y860-L890 PolarHBondContact O-N 3.36Å; L890-L892 HydrophobicContact CD2-CD2 3.61Å; L890-L892 HydrophobicContact CD2-CG 4.12Å; L890-L892 HydrophobicContact CG-CD2 3.89Å; L890-L892 HydrophobicContact CG-CG 4.32Å |
| 891 | R | 91 | Very high | 76.9 | Confident | 37 Ų | 37 | 49.3 Ų | 49.3 | 14% | 0.14 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 130.7 | 166.8 | 176.1 | -173.5 | -67.2 | 153.8 | -7.2 | 109.2 | I668 Q707 L709 Q857 I858 | I668-R891 HydrophobicContact CD1-CG 4.08Å; Q707-R891 HydrophobicContact CB-CB 4.3Å; Q707-R891 PolarHBondContact N-O 2.92Å; Q707-R891 PolarHBondContact O-N 2.75Å; L709-R891 HydrophobicContact CD1-CB 4Å; L709-R891 HydrophobicContact CG-CB 4.36Å; Q857-R891 HydrophobicContact CG-CG 3.96Å; I858-R891 CarbonylContact O-C 3.58Å; I858-R891 WeakPolarHBondContact O-CA 3.47Å |
| 892 | L | 93.4 | Very high | 77 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 148.4 | 174.6 | -60.1 | -175.2 | 0 | 0 | 0 | 109.4 | I705 F706 I843 L845 L848 Q857 I858 Y860 L890 | I705-L892 CarbonylContact O-C 3.55Å; I705-L892 WeakPolarHBondContact O-CA 3.33Å; F706-L892 HydrophobicContact CB-CD2 4.09Å; F706-L892 HydrophobicContact CD1-CD2 3.35Å; F706-L892 HydrophobicContact CD2-CD2 4.27Å; F706-L892 HydrophobicContact CE1-CD2 3.75Å; F706-L892 HydrophobicContact CG-CD2 3.63Å; F706-L892 HydrophobicContact CZ-CD2 4.38Å; I843-L892 HydrophobicContact CG2-CD1 3.77Å; L845-L892 HydrophobicContact CD2-CD1 4.48Å; L848-L892 HydrophobicContact CD1-CD1 4.46Å; L848-L892 HydrophobicContact CD2-CB 4.09Å; Q857-L892 CarbonylContact C-O 3.59Å; Q857-L892 WeakPolarHBondContact CA-O 3.32Å; I858-L892 HydrophobicContact CG2-CB 3.84Å; I858-L892 PolarHBondContact N-O 3.01Å; I858-L892 PolarHBondContact O-N 3.48Å; I858-L892 VanDerWaalsContact O-O 3.12Å; Y860-L892 HydrophobicContact CD2-CD1 4.17Å; Y860-L892 HydrophobicContact CE2-CD1 4.18Å; L890-L892 HydrophobicContact CD2-CD2 3.61Å; L890-L892 HydrophobicContact CD2-CG 4.12Å; L890-L892 HydrophobicContact CG-CD2 3.89Å; L890-L892 HydrophobicContact CG-CG 4.32Å |
| 893 | A | 93.7 | Very high | 76.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 156 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I668 I704 I705 L848 V856 Q857 | I668-A893 HydrophobicContact CD1-CB 3.74Å; I668-A893 HydrophobicContact CG2-CB 3.99Å; I704-A893 CarbonylContact C-O 3.59Å; I704-A893 WeakPolarHBondContact CA-O 3.5Å; I705-A893 HydrophobicContact CB-CB 4.42Å; I705-A893 PolarHBondContact N-O 3.18Å; I705-A893 PolarHBondContact O-N 3.31Å; L848-A893 WeakPolarHBondContact CD2-O 3.34Å; V856-A893 CarbonylContact O-C 3.58Å; V856-A893 WeakPolarHBondContact O-CA 3.16Å; V856-A893 VanDerWaalsContact O-CB 3.27Å; V856-A893 WeakPolarHBondContact O-CB 3.35Å; Q857-A893 HydrophobicContact CB-CB 4.28Å |
| 894 | N | 93.9 | Very high | 75.2 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 124.9 | 166 | -176.8 | 4.9 | 0 | 0 | 0 | 108.2 | N702 E703 I704 L848 R850 A855 V856 | N702-N894 WeakPolarHBondContact CB-OD1 3.33Å; N702-N894 PolarHBondContact OD1-ND2 2.98Å; N702-N894 PolarHBondContact OD1-OD1 2.89Å; E703-N894 WeakPolarHBondContact O-CA 3.29Å; I704-N894 HydrophobicContact CD1-CB 3.62Å; I704-N894 VanDerWaalsContact CD1-CG 3.41Å; L848-N894 HydrophobicContact CB-CB 4.41Å; L848-N894 HydrophobicContact CD2-CB 4.05Å; L848-N894 WeakPolarHBondContact O-CB 3.41Å; L848-N894 PolarHBondContact O-ND2 3.25Å; R850-N894 WeakPolarHBondContact CD-O 3.48Å; R850-N894 HydrophobicContact CG-CB 4.1Å; A855-N894 CarbonylContact C-O 3.45Å; A855-N894 WeakPolarHBondContact CA-O 3.38Å; A855-N894 WeakPolarHBondContact CB-O 3.48Å; V856-N894 HydrophobicContact CG2-CB 3.97Å; V856-N894 PolarHBondContact N-O 3.04Å; V856-N894 PolarHBondContact O-N 2.99Å |
| 895 | I | 92.7 | Very high | 73.8 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.5 | 175.5 | -57.7 | 156.5 | 0 | 0 | 0 | 108.4 | I668 K669 E703 I705 A855 | I668-I895 HydrophobicContact CG2-CD1 3.9Å; I668-I895 HydrophobicContact CG2-CG1 4.4Å; K669-I895 VanDerWaalsContact O-CD1 3.29Å; K669-I895 WeakPolarHBondContact O-CD1 3.18Å; E703-I895 HydrophobicContact CB-CB 4.37Å; E703-I895 PolarHBondContact N-O 2.82Å; E703-I895 PolarHBondContact O-N 2.98Å; I705-I895 HydrophobicContact CD1-CD1 3.6Å; I705-I895 HydrophobicContact CG1-CD1 4.5Å; A855-I895 HydrophobicContact CB-CB 4.18Å; A855-I895 HydrophobicContact CB-CG1 3.91Å; A855-I895 HydrophobicContact CB-CG2 4.26Å |
| 896 | G | 90 | Very high | 72.2 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 138.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L699 Q701 R850 E854 | L699-G896 WeakPolarHBondContact O-CA 3.48Å; Q701-G896 CarbonylContact O-C 3.55Å; Q701-G896 WeakPolarHBondContact O-CA 3.42Å; R850-G896 VanDerWaalsContact CZ-CA 3.49Å; E854-G896 PolarHBondContact O-N 3.5Å |
| 897 | H | 85.9 | Confident | 70.1 | Confident | 35 Ų | 35 | 64.7 Ų | 64.7 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 147.9 | 174.2 | -67.5 | -83.4 | 0 | 0 | 0 | 111.7 | L699 Q701 E703 | L699-H897 CarbonylContact C-O 3.59Å; L699-H897 WeakPolarHBondContact CA-O 3.5Å; Q701-H897 HydrophobicContact CB-CB 4.28Å; Q701-H897 PolarHBondContact O-N 2.87Å; E703-H897 IonicContact OE2-CD2 3.82Å; E703-H897 IonicContact OE2-CE1 2.69Å; E703-H897 IonicContact OE2-NE2 3.52Å; E703-H897 PolarHBondContact OE2-NE2 2.97Å |
| 898 | R | 74.8 | Confident | 67.9 | Low | 162 Ų | 162 | 69.7 Ų | 69.7 | 61% | 0.611 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -75 | 146.2 | 173.9 | -89.6 | 167.9 | -176.5 | -176.9 | 3.5 | 112.1 | E671 L699 | E671-R898 PolarHBondContact OE2-N 2.9Å; L699-R898 HydrophobicContact CD2-CG 3.81Å |
| 899 | K | 63.3 | Low | 65.5 | Low | 93 Ų | 93 | 77.4 Ų | 77.4 | 40% | 0.404 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 127.4 | -174.3 | -165.3 | -172.6 | 177.6 | 161.3 | 0 | 111.5 | N806 | N806-K899 VanDerWaalsContact ND2-CE 3.31Å; N806-K899 WeakPolarHBondContact ND2-CE 3.42Å; N806-K899 VanDerWaalsContact OD1-CE 3.32Å; N806-K899 WeakPolarHBondContact OD1-CE 3.44Å; N806-K899 PolarHBondContact OD1-NZ 2.87Å |
| 900 | E | 53.7 | Low | 63.1 | Low | 174 Ų | 174 | 80.5 Ų | 80.5 | 81% | 0.813 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 151.4 | 162.1 | -70.5 | -164.5 | 131.9 | 0 | 0 | 111.2 | I902 | E900-I902 PolarHBondContact O-N 3.35Š|
| 901 | L | 45.7 | Very low | 60.5 | Low | 181 Ų | 181 | 87.3 Ų | 87.3 | 95% | 0.948 | 42% | 0.42 | S | S | * | . | trans | -75.2 | 84 | -172.2 | -82.7 | 163.2 | 0 | 0 | 0 | 113.3 | ||||
| 902 | I | 48.5 | Very low | 58.2 | Low | 59 Ų | 59 | 89.6 Ų | 89.6 | 30% | 0.303 | 44% | 0.435 | S | S | . | . | trans | -65.1 | 140.4 | 173.1 | -61 | 177.8 | 0 | 0 | 0 | 111.2 | N806 E900 I906 | N806-I902 WeakPolarHBondContact ND2-CD1 3.48Å; E900-I902 PolarHBondContact O-N 3.35Å; I902-I906 HydrophobicContact CG2-CD1 3.89Å; I902-I906 HydrophobicContact CG2-CG1 4.43Å | ||
| 903 | P | 39.3 | Very low | 56 | Low | 94 Ų | 94 | 99.8 Ų | 99.8 | 61% | 0.61 | 47% | 0.473 | S | S | * | . | trans | -56 | 151 | 177.4 | -27.9 | 36.1 | 0 | 0 | 0 | 115.6 | E905 | P903-E905 PolarHBondContact O-N 2.78Š| ||
| 904 | K | 40.8 | Very low | 54.2 | Low | 179 Ų | 179 | 103.4 Ų | 103.4 | 78% | 0.778 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.4 | -171.5 | -68.4 | 178.7 | 177.9 | 174.7 | 0 | 115.9 | I906 T907 | K904-I906 PolarHBondContact O-N 2.89Å; K904-T907 PolarHBondContact O-N 3.09Å; K904-T907 PolarHBondContact O-OG1 2.97Å |
| 905 | E | 39.5 | Very low | 52.8 | Low | 160 Ų | 160 | 107.8 Ų | 107.8 | 75% | 0.748 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.2 | -36.5 | -174.8 | -63.9 | -177.8 | 107 | 0 | 0 | 112.9 | P903 T907 I908 | P903-E905 PolarHBondContact O-N 2.78Å; E905-T907 VanDerWaalsContact C-N 3.3Å; E905-T907 PolarHBondContact O-N 2.78Å; E905-I908 PolarHBondContact O-N 2.97Å |
| 906 | I | 40.8 | Very low | 52 | Low | 65 Ų | 65 | 110.4 Ų | 110.4 | 33% | 0.333 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.4 | -33.8 | -179.3 | -61.7 | -171.5 | 0 | 0 | 0 | 111 | I902 K904 I908 R909 | I902-I906 HydrophobicContact CG2-CD1 3.89Å; I902-I906 HydrophobicContact CG2-CG1 4.43Å; K904-I906 PolarHBondContact O-N 2.89Å; I906-I908 PolarHBondContact O-N 3.03Å; I906-R909 PolarHBondContact O-N 3.24Å; I906-R909 VanDerWaalsContact O-N 3.09Å |
| 907 | T | 35.3 | Very low | 51.6 | Low | 95 Ų | 95 | 113.5 Ų | 113.5 | 58% | 0.583 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.4 | -24.4 | 179.4 | -16.6 | 0 | 0 | 0 | 0 | 112.9 | K904 E905 | K904-T907 PolarHBondContact O-N 3.09Å; K904-T907 PolarHBondContact O-OG1 2.97Å; E905-T907 VanDerWaalsContact C-N 3.3Å; E905-T907 PolarHBondContact O-N 2.78Å |
| 908 | I | 37.6 | Very low | 51.4 | Low | 123 Ų | 123 | 112.1 Ų | 112.1 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -77.4 | -29.6 | 177.4 | -59.2 | 174.9 | 0 | 0 | 0 | 111.1 | E905 I906 N912 | E905-I908 PolarHBondContact O-N 2.97Å; I906-I908 PolarHBondContact O-N 3.03Å; I908-N912 PolarHBondContact O-ND2 2.8Å; I908-N912 VanDerWaalsContact O-ND2 3.17Å |
| 909 | R | 37.4 | Very low | 51.5 | Low | 163 Ų | 163 | 104.8 Ų | 104.8 | 62% | 0.615 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.6 | -44.5 | -179 | -102.5 | 179.6 | 156.2 | 170.1 | -10.5 | 112.7 | I906 N911 N912 E1066 | I906-R909 PolarHBondContact O-N 3.24Å; I906-R909 VanDerWaalsContact O-N 3.09Å; R909-N911 VanDerWaalsContact C-N 3.34Å; R909-N911 PolarHBondContact O-N 2.64Å; R909-N912 WeakPolarHBondContact O-CB 3.37Å; R909-N912 PolarHBondContact O-N 2.84Å; R909-N912 PolarHBondContact O-ND2 2.93Å; R909-E1066 IonicContact NH2-OE2 3.36Å |
| 910 | N | 36.7 | Very low | 51.6 | Low | 67 Ų | 67 | 104.5 Ų | 104.5 | 36% | 0.358 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -75.3 | -18.8 | -171.6 | -68.5 | 10 | 0 | 0 | 0 | 114.1 | N912 | N910-N912 PolarHBondContact O-N 2.9Å |
| 911 | N | 36.8 | Very low | 51.7 | Low | 142 Ų | 142 | 106.2 Ų | 106.2 | 76% | 0.759 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -5.9 | 172.9 | -79 | -5.8 | 0 | 0 | 0 | 113.9 | R909 R913 | R909-N911 VanDerWaalsContact C-N 3.34Å; R909-N911 PolarHBondContact O-N 2.64Å; N911-R913 PolarHBondContact O-N 2.98Å |
| 912 | N | 41.6 | Very low | 51.8 | Low | 85 Ų | 85 | 100.6 Ų | 100.6 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | trans | -75.7 | 93.1 | 173.4 | -65.3 | -68.7 | 0 | 0 | 0 | 110.4 | I908 R909 N910 K914 | I908-N912 PolarHBondContact O-ND2 2.8Å; I908-N912 VanDerWaalsContact O-ND2 3.17Å; R909-N912 WeakPolarHBondContact O-CB 3.37Å; R909-N912 PolarHBondContact O-N 2.84Å; R909-N912 PolarHBondContact O-ND2 2.93Å; N910-N912 PolarHBondContact O-N 2.9Å; N912-K914 PolarHBondContact O-N 3.29Å | ||
| 913 | R | 48.1 | Very low | 51.8 | Low | 215 Ų | 215 | 99.2 Ų | 99.2 | 81% | 0.811 | 47% | 0.47 | S | S | * | . | trans | -45.2 | 133.6 | 158.5 | -71.4 | 178.9 | 171.7 | 164.4 | -2.9 | 108.7 | N911 K915 | N911-R913 PolarHBondContact O-N 2.98Å; R913-K915 PolarHBondContact O-N 2.83Å | ||
| 914 | K | 55.2 | Low | 51.8 | Low | 75 Ų | 75 | 100.4 Ų | 100.4 | 33% | 0.326 | 48% | 0.475 | S | S | . | . | trans | -47.6 | 113.9 | 179.6 | -82.2 | -171.2 | 170.4 | -172.6 | 0 | 109.9 | N912 Y916 E1075 | N912-K914 PolarHBondContact O-N 3.29Å; K914-Y916 HydrophobicContact CB-CD1 4.24Å; K914-Y916 HydrophobicContact CB-CE1 3.56Å; K914-Y916 HydrophobicContact CB-CE2 4.08Å; K914-Y916 VanDerWaalsContact CB-CZ 3.46Å; K914-Y916 HydrophobicContact CD-CE1 3.75Å; K914-Y916 HydrophobicContact CG-CE1 4.3Å; K914-Y916 WeakPolarHBondContact O-CD2 3.47Å; K914-Y916 WeakPolarHBondContact O-CE2 3.45Å; K914-Y916 PolarHBondContact O-N 2.94Å; K914-Y916 VanDerWaalsContact O-N 3.08Å; K914-E1075 IonicContact NZ-OE1 3.54Å; K914-E1075 PolarHBondContact NZ-OE1 3.29Å; K914-E1075 IonicContact NZ-OE2 2.66Å; K914-E1075 PolarHBondContact NZ-OE2 3.05Å | ||
| 915 | K | 64.1 | Low | 51.7 | Low | 92 Ų | 92 | 95.8 Ų | 95.8 | 40% | 0.4 | 46% | 0.464 | S | S | . | . | trans | -80.6 | 86.7 | 178.3 | -76.8 | -166.8 | 178.1 | -174.3 | 0 | 109.7 | R913 L917 D922 H1065 | R913-K915 PolarHBondContact O-N 2.83Å; K915-L917 PolarHBondContact O-N 2.99Å; K915-D922 IonicContact NZ-OD1 2.66Å; K915-D922 PolarHBondContact NZ-OD1 3.02Å; K915-H1065 PolarHBondContact O-CE1 3.44Å | ||
| 916 | Y | 76.4 | Confident | 51.8 | Low | 59 Ų | 59 | 93.6 Ų | 93.6 | 23% | 0.231 | 45% | 0.453 | C | S | . | . | trans | -68.5 | -18.8 | 176.3 | -50.2 | -66.3 | 0 | 0 | 0 | 113.6 | K914 F1076 F1077 E1078 F1118 I1120 | K914-Y916 HydrophobicContact CB-CD1 4.24Å; K914-Y916 HydrophobicContact CB-CE1 3.56Å; K914-Y916 HydrophobicContact CB-CE2 4.08Å; K914-Y916 VanDerWaalsContact CB-CZ 3.46Å; K914-Y916 HydrophobicContact CD-CE1 3.75Å; K914-Y916 HydrophobicContact CG-CE1 4.3Å; K914-Y916 WeakPolarHBondContact O-CD2 3.47Å; K914-Y916 WeakPolarHBondContact O-CE2 3.45Å; K914-Y916 PolarHBondContact O-N 2.94Å; K914-Y916 VanDerWaalsContact O-N 3.08Å; Y916-F1076 WeakPolarHBondContact CD1-O 3.38Å; Y916-F1077 CarbonylContact O-C 3.57Å; Y916-F1077 VanDerWaalsContact O-CA 3.23Å; Y916-F1077 WeakPolarHBondContact O-CA 3.35Å; Y916-F1077 WeakPolarHBondContact O-CB 3.25Å; Y916-E1078 PolarHBondContact O-N 3.37Å; Y916-F1118 HydrophobicContact CD1-CB 4.48Å; Y916-F1118 HydrophobicContact CD1-CD1 4.05Å; Y916-F1118 HydrophobicContact CD1-CG 4.48Å; Y916-F1118 HydrophobicContact CD2-CB 4.47Å; Y916-F1118 HydrophobicContact CE1-CB 4.33Å; Y916-F1118 AromaticContact CE1-CD1 3.33Å; Y916-F1118 HydrophobicContact CE1-CD1 3.33Å; Y916-F1118 AromaticContact CE1-CE1 3.91Å; Y916-F1118 HydrophobicContact CE1-CE1 3.91Å; Y916-F1118 HydrophobicContact CE1-CG 4.14Å; Y916-F1118 HydrophobicContact CE2-CB 4.31Å; Y916-F1118 HydrophobicContact CE2-CD1 4.43Å; Y916-F1118 VanDerWaalsContact CE2-O 3.29Å; Y916-F1118 WeakPolarHBondContact CE2-O 3.37Å; Y916-F1118 AromaticContact CZ-CD1 3.57Å; Y916-I1120 VanDerWaalsContact CB-CD1 3.44Å; Y916-I1120 HydrophobicContact CD1-CD1 4.47Å; Y916-I1120 HydrophobicContact CD2-CD1 4.09Å; Y916-I1120 HydrophobicContact CD2-CG1 3.86Å; Y916-I1120 HydrophobicContact CG-CD1 3.77Å; Y916-I1120 HydrophobicContact CG-CG1 4.06Å | ||
| 917 | L | 81.7 | Confident | 51.6 | Low | 66 Ų | 66 | 98.8 Ų | 98.8 | 35% | 0.346 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 119.7 | 171.4 | -178.2 | 65.5 | 0 | 0 | 0 | 109.6 | K915 E1078 L1167 | K915-L917 PolarHBondContact O-N 2.99Å; L917-E1078 HydrophobicContact CD1-CB 4.19Å; L917-L1167 HydrophobicContact CD1-CD1 4.4Å; L917-L1167 HydrophobicContact CD1-CD2 3.64Å |
| 918 | I | 82.2 | Confident | 52 | Low | 6 Ų | 6 | 99.6 Ų | 99.6 | 3% | 0.031 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 114.7 | 179 | -53.4 | 178.7 | 0 | 0 | 0 | 108.8 | I1063 H1065 F1077 E1078 Y1079 Q1080 L1226 | I918-I1063 HydrophobicContact CG2-CG2 4.04Å; I918-H1065 HydrophobicContact CD1-CB 4.13Å; I918-F1077 HydrophobicContact CD1-CB 4.36Å; I918-F1077 HydrophobicContact CD1-CD2 3.45Å; I918-F1077 VanDerWaalsContact CD1-CD2 3.45Å; I918-F1077 HydrophobicContact CD1-CE2 3.96Å; I918-F1077 HydrophobicContact CD1-CG 4.05Å; I918-F1077 HydrophobicContact CG1-CD2 4.31Å; I918-E1078 PolarHBondContact N-O 3.3Å; I918-Y1079 HydrophobicContact CB-CD2 4.07Å; I918-Y1079 HydrophobicContact CG2-CD2 3.88Å; I918-Y1079 HydrophobicContact CG2-CE2 4.14Å; I918-Q1080 WeakPolarHBondContact O-CB 3.11Å; I918-Q1080 PolarHBondContact O-N 3.36Å; I918-L1226 HydrophobicContact CD1-CD1 4.33Å; I918-L1226 HydrophobicContact CG2-CD1 4.32Å |
| 919 | S | 76.2 | Confident | 52.3 | Low | 8 Ų | 8 | 98.8 Ų | 98.8 | 6% | 0.056 | 46% | 0.455 | C | S | . | . | trans | -120.9 | 153.2 | 179.9 | 93.6 | 0 | 0 | 0 | 0 | 113.5 | R921 D922 | S919-R921 PolarHBondContact O-N 2.72Å; S919-R921 PolarHBondContact OG-N 3.32Å; S919-R921 VanDerWaalsContact OG-N 3.1Å; S919-D922 WeakPolarHBondContact CB-OD2 3.5Å; S919-D922 PolarHBondContact O-N 2.69Å; S919-D922 PolarHBondContact OG-N 2.77Å; S919-D922 PolarHBondContact OG-OD2 3.35Å | ||
| 920 | Q | 65 | Low | 52.6 | Low | 87 Ų | 87 | 97.2 Ų | 97.2 | 41% | 0.407 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -61.4 | -17.8 | 170 | -76.6 | 177.3 | -6.5 | 0 | 0 | 113.4 | I1063 S1224 | Q920-I1063 HydrophobicContact CB-CD1 4.4Å; Q920-I1063 HydrophobicContact CG-CD1 3.65Å; Q920-S1224 PolarHBondContact NE2-OG 3.45Å; Q920-S1224 VanDerWaalsContact NE2-OG 3.13Å |
| 921 | R | 55.6 | Low | 52.7 | Low | 209 Ų | 209 | 96.4 Ų | 96.4 | 79% | 0.789 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -86.2 | -32.1 | 178.2 | -70.5 | 178.4 | 172.7 | 149.2 | -3.5 | 112.3 | S919 A923 R927 | S919-R921 PolarHBondContact O-N 2.72Å; S919-R921 PolarHBondContact OG-N 3.32Å; S919-R921 VanDerWaalsContact OG-N 3.1Å; R921-A923 PolarHBondContact O-N 2.8Å; R921-R927 PolarHBondContact O-NH2 2.97Å |
| 922 | D | 49.5 | Very low | 52.7 | Low | 63 Ų | 63 | 94 Ų | 94 | 34% | 0.337 | 48% | 0.481 | S | S | . | . | trans | -70.6 | 14.2 | -178.4 | -80.3 | -79.8 | 0 | 0 | 0 | 115.3 | K915 S919 T924 | K915-D922 IonicContact NZ-OD1 2.66Å; K915-D922 PolarHBondContact NZ-OD1 3.02Å; S919-D922 WeakPolarHBondContact CB-OD2 3.5Å; S919-D922 PolarHBondContact O-N 2.69Å; S919-D922 PolarHBondContact OG-N 2.77Å; S919-D922 PolarHBondContact OG-OD2 3.35Å; D922-T924 PolarHBondContact O-N 2.91Å; D922-T924 PolarHBondContact O-OG1 3.05Å | ||
| 923 | A | 47.1 | Very low | 52.3 | Low | 31 Ų | 31 | 94.9 Ų | 94.9 | 26% | 0.256 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 57.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R921 R927 | R921-A923 PolarHBondContact O-N 2.8Å; A923-R927 HydrophobicContact CB-CG 4Å; A923-R927 VanDerWaalsContact O-CD 3.26Å; A923-R927 WeakPolarHBondContact O-CD 3.47Å; A923-R927 VanDerWaalsContact O-CG 3.22Å; A923-R927 WeakPolarHBondContact O-CG 3.27Å; A923-R927 PolarHBondContact O-NE 2.92Å |
| 924 | T | 39.5 | Very low | 51.8 | Low | 119 Ų | 119 | 93.4 Ų | 93.4 | 73% | 0.73 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -22.1 | 156.3 | 51.1 | 0 | 0 | 0 | 0 | 110.7 | D922 | D922-T924 PolarHBondContact O-N 2.91Å; D922-T924 PolarHBondContact O-OG1 3.05Å |
| 925 | C | 38.5 | Very low | 51 | Low | 81 Ų | 81 | 93.1 Ų | 93.1 | 55% | 0.547 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -78 | 119.3 | 163.2 | -60.9 | 0 | 0 | 0 | 0 | 109.4 | R927 | C925-R927 PolarHBondContact O-N 2.84Š|
| 926 | F | 42 | Very low | 49.5 | Very low | 115 Ų | 115 | 94.9 Ų | 94.9 | 50% | 0.504 | 51% | 0.514 | S | S | . | . | trans | 50.9 | 51.6 | 165.1 | -53.2 | -63.2 | 0 | 0 | 0 | 118.3 | K928 E1064 | F926-K928 HydrophobicContact CB-CD 4.19Å; F926-K928 HydrophobicContact CB-CG 4.35Å; F926-K928 PolarHBondContact O-N 3.43Å; F926-E1064 WeakPolarHBondContact CD2-OE2 3.34Å | ||
| 927 | R | 37.6 | Very low | 47.2 | Very low | 173 Ų | 173 | 101 Ų | 101 | 65% | 0.653 | 55% | 0.547 | S | S | * | . | trans | -65 | 75.5 | 159.4 | -88.9 | 178.1 | -162.1 | -145.2 | 3.3 | 111.7 | R921 A923 C925 F929 | R921-R927 PolarHBondContact O-NH2 2.97Å; A923-R927 HydrophobicContact CB-CG 4Å; A923-R927 VanDerWaalsContact O-CD 3.26Å; A923-R927 WeakPolarHBondContact O-CD 3.47Å; A923-R927 VanDerWaalsContact O-CG 3.22Å; A923-R927 WeakPolarHBondContact O-CG 3.27Å; A923-R927 PolarHBondContact O-NE 2.92Å; C925-R927 PolarHBondContact O-N 2.84Å; R927-F929 PolarHBondContact O-N 2.6Å | ||
| 928 | K | 43.1 | Very low | 44.8 | Very low | 112 Ų | 112 | 106.5 Ų | 106.5 | 49% | 0.487 | 57% | 0.568 | S | S | . | * | trans | -72.5 | 12.4 | 175.9 | -69.2 | 156.3 | 174.3 | 155.2 | 0 | 113.3 | F926 E1064 | F926-K928 HydrophobicContact CB-CD 4.19Å; F926-K928 HydrophobicContact CB-CG 4.35Å; F926-K928 PolarHBondContact O-N 3.43Å; K928-E1064 IonicContact NZ-OE1 3.65Å; K928-E1064 PolarHBondContact NZ-OE1 2.92Å; K928-E1064 IonicContact NZ-OE2 2.8Å; K928-E1064 PolarHBondContact NZ-OE2 3.11Å | ||
| 929 | F | 43.6 | Very low | 42.2 | Very low | 106 Ų | 106 | 111.4 Ų | 111.4 | 47% | 0.465 | 60% | 0.603 | S | S | . | * | trans | -142.6 | 88.6 | 177.1 | -163.1 | -99.4 | 0 | 0 | 0 | 111.1 | R927 G931 I1056 | R927-F929 PolarHBondContact O-N 2.6Å; F929-G931 PolarHBondContact O-N 3.06Å; F929-I1056 HydrophobicContact CD2-CG2 4.2Å; F929-I1056 HydrophobicContact CE1-CG2 4.21Å; F929-I1056 HydrophobicContact CE2-CB 4.44Å; F929-I1056 HydrophobicContact CE2-CD1 4Å; F929-I1056 HydrophobicContact CE2-CG1 3.97Å; F929-I1056 HydrophobicContact CE2-CG2 3.63Å; F929-I1056 HydrophobicContact CZ-CD1 4.48Å; F929-I1056 HydrophobicContact CZ-CG2 3.64Å | ||
| 930 | T | 44.6 | Very low | 40 | Very low | 130 Ų | 130 | 118 Ų | 118 | 80% | 0.798 | 64% | 0.638 | S | S | * | * | trans | -70.8 | 109.6 | 161.1 | 48.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 931 | G | 38.3 | Very low | 38.4 | Very low | 51 Ų | 51 | 121.3 Ų | 121.3 | 53% | 0.526 | 66% | 0.658 | S | S | . | * | trans | -54.6 | 139.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | F929 D933 | F929-G931 PolarHBondContact O-N 3.06Å; G931-D933 VanDerWaalsContact C-N 3.31Å; G931-D933 PolarHBondContact O-N 3.43Å | ||
| 932 | G | 35.9 | Very low | 37.3 | Very low | 92 Ų | 92 | 119.6 Ų | 119.6 | 95% | 0.948 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -72.4 | 74.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 933 | D | 35.1 | Very low | 36.3 | Very low | 103 Ų | 103 | 122.1 Ų | 122.1 | 55% | 0.551 | 68% | 0.682 | S | S | * | * | trans | -114.7 | 113.3 | 166.3 | -172.7 | -16.3 | 0 | 0 | 0 | 109.4 | G931 S935 | G931-D933 VanDerWaalsContact C-N 3.31Å; G931-D933 PolarHBondContact O-N 3.43Å; D933-S935 PolarHBondContact O-N 3.33Å; D933-S935 VanDerWaalsContact OD1-CB 3.28Å; D933-S935 WeakPolarHBondContact OD1-CB 3.46Å; D933-S935 PolarHBondContact OD1-N 2.75Å; D933-S935 PolarHBondContact OD1-OG 2.65Å; D933-S935 PolarHBondContact OD2-OG 3.44Å | ||
| 934 | L | 36 | Very low | 35.5 | Very low | 183 Ų | 183 | 126.6 Ų | 126.6 | 96% | 0.958 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -2 | -175.3 | -72.5 | 165.6 | 0 | 0 | 0 | 113.6 | ||
| 935 | S | 39 | Very low | 34.9 | Very low | 69 Ų | 69 | 124.3 Ų | 124.3 | 48% | 0.483 | 71% | 0.707 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.6 | -23.9 | -172.5 | 63.2 | 0 | 0 | 0 | 0 | 115.5 | D933 | D933-S935 PolarHBondContact O-N 3.33Å; D933-S935 VanDerWaalsContact OD1-CB 3.28Å; D933-S935 WeakPolarHBondContact OD1-CB 3.46Å; D933-S935 PolarHBondContact OD1-N 2.75Å; D933-S935 PolarHBondContact OD1-OG 2.65Å; D933-S935 PolarHBondContact OD2-OG 3.44Å |
| 936 | N | 31.8 | Very low | 34.8 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 69% | 0.69 | 72% | 0.717 | S | S | * | * | trans | -105 | 7.5 | -160 | -76.9 | -50 | 0 | 0 | 0 | 116.7 | K938 | N936-K938 PolarHBondContact O-N 3.48Š| ||
| 937 | M | 29.3 | Very low | 34.4 | Very low | 189 Ų | 189 | 128.6 Ų | 128.6 | 93% | 0.931 | 73% | 0.733 | S | S | * | * | trans | -82.2 | 93.2 | 166.2 | -72.7 | -137.6 | 74.8 | 0 | 0 | 110.7 | ||||
| 938 | K | 30 | Very low | 34.6 | Very low | 181 Ų | 181 | 126.2 Ų | 126.2 | 79% | 0.787 | 74% | 0.737 | S | S | * | * | trans | -133.3 | 152.8 | 166.9 | -75.6 | -173.1 | 176.4 | 178.4 | 0 | 110.7 | N936 | N936-K938 PolarHBondContact O-N 3.48Š| ||
| 939 | S | 28.7 | Very low | 34.5 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 62.7 | 113.6 | -175.1 | 48 | 0 | 0 | 0 | 0 | 117.1 | ||
| 940 | N | 29.6 | Very low | 34.4 | Very low | 148 Ų | 148 | 130.3 Ų | 130.3 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 71 | 76.8 | 142.9 | -51.9 | 12.4 | 0 | 0 | 0 | 118.1 | ||||
| 941 | D | 32.1 | Very low | 34.7 | Very low | 155 Ų | 155 | 130.9 Ų | 130.9 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | -160.1 | 146.2 | 106 | -102.5 | -22.1 | 0 | 0 | 0 | 111.9 | T943 | D941-T943 VanDerWaalsContact C-N 3.34Å; D941-T943 PolarHBondContact O-N 2.85Å | |||
| 942 | D | 31.5 | Very low | 35.7 | Very low | 174 Ų | 174 | 136.3 Ų | 136.3 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | trans | -84.3 | 61.8 | -170.5 | -87.1 | -42.8 | 0 | 0 | 0 | 113.7 | ||||
| 943 | T | 28.8 | Very low | 37.2 | Very low | 116 Ų | 116 | 135 Ų | 135 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -132.2 | 102.9 | 166.3 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | D941 | D941-T943 VanDerWaalsContact C-N 3.34Å; D941-T943 PolarHBondContact O-N 2.85Å |
| 944 | T | 30 | Very low | 38.7 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 76% | 0.761 | 73% | 0.732 | S | S | * | * | trans | 26.8 | 103.9 | 155.4 | 56.8 | 0 | 0 | 0 | 0 | 117.8 | I946 | T944-I946 PolarHBondContact O-N 3.12Å; T944-I946 VanDerWaalsContact O-N 3.16Å | ||
| 945 | G | 28.3 | Very low | 40 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 74% | 0.742 | 71% | 0.713 | S | S | * | * | trans | -54.1 | 120.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112 | V947 | G945-V947 PolarHBondContact O-N 3.44Š| ||
| 946 | I | 36 | Very low | 41.1 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | trans | -78.5 | 86 | -166.6 | -48.7 | 179.9 | 0 | 0 | 0 | 111.2 | T944 V948 | T944-I946 PolarHBondContact O-N 3.12Å; T944-I946 VanDerWaalsContact O-N 3.16Å; I946-V948 VanDerWaalsContact C-N 3.31Å; I946-V948 HydrophobicContact CG2-CG2 3.69Å; I946-V948 PolarHBondContact O-N 3.15Å | ||
| 947 | V | 33.7 | Very low | 42.8 | Very low | 137 Ų | 137 | 126 Ų | 126 | 83% | 0.83 | 69% | 0.694 | S | S | * | * | trans | -75.1 | 80.5 | 173.4 | -174.7 | 0 | 0 | 0 | 0 | 110.2 | G945 R949 | G945-V947 PolarHBondContact O-N 3.44Å; V947-R949 PolarHBondContact O-N 2.79Å; V947-R949 VanDerWaalsContact O-N 3.09Å | ||
| 948 | V | 40.8 | Very low | 45 | Very low | 122 Ų | 122 | 121.7 Ų | 121.7 | 74% | 0.739 | 68% | 0.678 | S | S | * | * | trans | -67.8 | 107.6 | 176.4 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | I946 A950 | I946-V948 VanDerWaalsContact C-N 3.31Å; I946-V948 HydrophobicContact CG2-CG2 3.69Å; I946-V948 PolarHBondContact O-N 3.15Å; V948-A950 PolarHBondContact O-N 3.24Å | ||
| 949 | R | 41.3 | Very low | 47.2 | Very low | 199 Ų | 199 | 116.8 Ų | 116.8 | 75% | 0.751 | 66% | 0.658 | S | S | * | * | trans | -65.7 | 126 | 175.1 | -155 | 178.3 | -154.9 | 152.9 | 10.2 | 109.8 | V947 H951 | V947-R949 PolarHBondContact O-N 2.79Å; V947-R949 VanDerWaalsContact O-N 3.09Å; R949-H951 PolarHBondContact O-CE1 3.17Å; R949-H951 PolarHBondContact O-N 2.9Å; R949-H951 VanDerWaalsContact O-N 3.15Å; R949-H951 PolarHBondContact O-ND1 2.81Å | ||
| 950 | A | 42.4 | Very low | 49.4 | Very low | 105 Ų | 105 | 111.7 Ų | 111.7 | 87% | 0.868 | 62% | 0.622 | S | S | * | * | trans | -66.1 | 113.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V948 | V948-A950 PolarHBondContact O-N 3.24Š| ||
| 951 | H | 50.9 | Low | 51.5 | Low | 143 Ų | 143 | 107.9 Ų | 107.9 | 66% | 0.662 | 60% | 0.6 | S | S | * | * | trans | -90.1 | 148 | 176.7 | -72.1 | 72.1 | 0 | 0 | 0 | 110.9 | R949 I953 T956 | R949-H951 PolarHBondContact O-CE1 3.17Å; R949-H951 PolarHBondContact O-N 2.9Å; R949-H951 VanDerWaalsContact O-N 3.15Å; R949-H951 PolarHBondContact O-ND1 2.81Å; H951-I953 PolarHBondContact O-N 3.09Å; H951-T956 HydrophobicContact CB-CG2 4.11Å | ||
| 952 | K | 57.6 | Low | 53.4 | Low | 165 Ų | 165 | 108 Ų | 108 | 72% | 0.717 | 59% | 0.589 | S | S | * | * | trans | -64 | 133.8 | 170.2 | -73.3 | -175.3 | 176.7 | -178.7 | 0 | 109 | K954 P955 T956 | K952-K954 VanDerWaalsContact C-N 3.28Å; K952-K954 PolarHBondContact O-N 3.29Å; K952-P955 HydrophobicContact CB-CG 4.22Å; K952-P955 WeakPolarHBondContact O-CD 3.26Å; K952-P955 VanDerWaalsContact O-CG 3.28Å; K952-P955 WeakPolarHBondContact O-CG 3.44Å; K952-T956 PolarHBondContact O-OG1 3.35Å | ||
| 953 | I | 69.2 | Low | 55.3 | Low | 63 Ų | 63 | 103.4 Ų | 103.4 | 32% | 0.323 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.7 | -21.6 | -175.8 | -160.1 | 166.8 | 0 | 0 | 0 | 113.8 | H951 T956 N957 L960 | H951-I953 PolarHBondContact O-N 3.09Å; I953-T956 PolarHBondContact O-OG1 3.38Å; I953-N957 HydrophobicContact CG1-CB 4.21Å; I953-N957 WeakPolarHBondContact O-CB 3.32Å; I953-N957 PolarHBondContact O-N 3.29Å; I953-N957 VanDerWaalsContact O-N 3.14Å; I953-L960 HydrophobicContact CG2-CD2 4.14Å |
| 954 | K | 64.9 | Low | 57.3 | Low | 81 Ų | 81 | 98.2 Ų | 98.2 | 35% | 0.352 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.6 | -43.1 | -178.2 | -170.5 | 170.9 | -176.8 | 174.1 | 0 | 115.4 | K952 L960 Q961 L964 | K952-K954 VanDerWaalsContact C-N 3.28Å; K952-K954 PolarHBondContact O-N 3.29Å; K954-L960 HydrophobicContact CB-CD2 4.08Å; K954-L960 HydrophobicContact CG-CD2 4.38Å; K954-Q961 PolarHBondContact O-NE2 3.23Å; K954-L964 HydrophobicContact CD-CD1 3.76Å; K954-L964 HydrophobicContact CG-CD1 3.84Å |
| 955 | P | 64.9 | Low | 59.2 | Low | 86 Ų | 86 | 98.5 Ų | 98.5 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -74.8 | -32.9 | 170.8 | 25 | -35.4 | 0 | 0 | 0 | 114.5 | K952 Q961 | K952-P955 HydrophobicContact CB-CG 4.22Å; K952-P955 WeakPolarHBondContact O-CD 3.26Å; K952-P955 VanDerWaalsContact O-CG 3.28Å; K952-P955 WeakPolarHBondContact O-CG 3.44Å; P955-Q961 PolarHBondContact O-NE2 2.85Å |
| 956 | T | 61.6 | Low | 60.8 | Low | 90 Ų | 90 | 99.9 Ų | 99.9 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -86.8 | -18.8 | -171 | 53.3 | 0 | 0 | 0 | 0 | 115 | H951 K952 I953 | H951-T956 HydrophobicContact CB-CG2 4.11Å; K952-T956 PolarHBondContact O-OG1 3.35Å; I953-T956 PolarHBondContact O-OG1 3.38Å |
| 957 | N | 66.6 | Low | 61.7 | Low | 39 Ų | 39 | 95 Ų | 95 | 21% | 0.209 | 49% | 0.49 | C | S | . | . | trans | -113.2 | 110.8 | -176.1 | -174.9 | -46.3 | 0 | 0 | 0 | 111.6 | I953 E959 L960 Q961 Y1044 | I953-N957 HydrophobicContact CG1-CB 4.21Å; I953-N957 WeakPolarHBondContact O-CB 3.32Å; I953-N957 PolarHBondContact O-N 3.29Å; I953-N957 VanDerWaalsContact O-N 3.14Å; N957-E959 VanDerWaalsContact C-N 3.29Å; N957-E959 PolarHBondContact O-N 2.93Å; N957-E959 WeakPolarHBondContact OD1-CA 3.29Å; N957-E959 WeakPolarHBondContact OD1-CB 3.47Å; N957-E959 PolarHBondContact OD1-N 2.72Å; N957-L960 HydrophobicContact CB-CB 4.29Å; N957-L960 PolarHBondContact OD1-N 3.23Å; N957-Q961 VanDerWaalsContact O-CB 3.25Å; N957-Q961 WeakPolarHBondContact O-CB 3.44Å; N957-Q961 PolarHBondContact O-N 2.78Å; N957-Y1044 PolarHBondContact ND2-OH 3.13Å; N957-Y1044 PolarHBondContact OD1-OH 2.93Å | ||
| 958 | T | 75.3 | Confident | 62.4 | Low | 99 Ų | 99 | 90.9 Ų | 90.9 | 61% | 0.607 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -8.8 | -176.2 | 56.7 | 0 | 0 | 0 | 0 | 114.7 | R962 | T958-R962 PolarHBondContact O-NE 3.5Å; T958-R962 PolarHBondContact O-NH2 2.78Å |
| 959 | E | 76.6 | Confident | 62.8 | Low | 78 Ų | 78 | 88.7 Ų | 88.7 | 36% | 0.364 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -54 | 172.9 | -175.9 | -179.1 | -122.7 | 0 | 0 | 109.8 | N957 Q961 R962 M963 Y1044 K1048 | N957-E959 VanDerWaalsContact C-N 3.29Å; N957-E959 PolarHBondContact O-N 2.93Å; N957-E959 WeakPolarHBondContact OD1-CA 3.29Å; N957-E959 WeakPolarHBondContact OD1-CB 3.47Å; N957-E959 PolarHBondContact OD1-N 2.72Å; E959-Q961 VanDerWaalsContact C-N 3.27Å; E959-Q961 PolarHBondContact O-N 3.34Å; E959-R962 WeakPolarHBondContact O-CA 3.28Å; E959-R962 WeakPolarHBondContact O-CB 3.49Å; E959-R962 PolarHBondContact O-N 2.82Å; E959-M963 PolarHBondContact O-N 2.85Å; E959-M963 VanDerWaalsContact O-N 3.07Å; E959-Y1044 HydrophobicContact CG-CE2 4.04Å; E959-Y1044 VanDerWaalsContact OE2-CE2 3.25Å; E959-Y1044 WeakPolarHBondContact OE2-CE2 3.33Å; E959-Y1044 VanDerWaalsContact OE2-CZ 3.31Å; E959-Y1044 PolarHBondContact OE2-OH 3.24Å; E959-K1048 IonicContact OE1-NZ 2.88Å; E959-K1048 WeakPolarHBondContact OE2-CE 3.39Å; E959-K1048 IonicContact OE2-NZ 2.71Å; E959-K1048 PolarHBondContact OE2-NZ 3.22Å |
| 960 | L | 76.3 | Confident | 63 | Low | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -58.2 | -38.8 | 172 | -179.3 | 111.9 | 0 | 0 | 0 | 111.8 | I953 K954 N957 R962 M963 L964 I1041 Y1044 | I953-L960 HydrophobicContact CG2-CD2 4.14Å; K954-L960 HydrophobicContact CB-CD2 4.08Å; K954-L960 HydrophobicContact CG-CD2 4.38Å; N957-L960 HydrophobicContact CB-CB 4.29Å; N957-L960 PolarHBondContact OD1-N 3.23Å; L960-R962 PolarHBondContact O-N 3.47Å; L960-M963 PolarHBondContact O-N 3.46Å; L960-L964 HydrophobicContact CD1-CD1 4.43Å; L960-L964 HydrophobicContact CD2-CD1 3.57Å; L960-L964 HydrophobicContact CG-CD1 3.76Å; L960-L964 HydrophobicContact CG-CG 4.34Å; L960-L964 WeakPolarHBondContact O-CB 3.03Å; L960-L964 PolarHBondContact O-N 3.02Å; L960-I1041 HydrophobicContact CD1-CG1 4.1Å; L960-I1041 HydrophobicContact CD2-CG1 4.38Å; L960-Y1044 HydrophobicContact CB-CD1 4.09Å; L960-Y1044 HydrophobicContact CB-CE1 3.97Å; L960-Y1044 HydrophobicContact CB-CE2 4.44Å; L960-Y1044 HydrophobicContact CB-CG 4.37Å; L960-Y1044 HydrophobicContact CD1-CD1 3.32Å; L960-Y1044 HydrophobicContact CD1-CD2 4.29Å; L960-Y1044 HydrophobicContact CD1-CE1 4.06Å; L960-Y1044 HydrophobicContact CD1-CG 3.45Å; L960-Y1044 VanDerWaalsContact CD1-CG 3.45Å; L960-Y1044 HydrophobicContact CG-CD1 4.3Å; L960-Y1044 HydrophobicContact CG-CG 4.5Å |
| 961 | Q | 73.7 | Confident | 63 | Low | 69 Ų | 69 | 85.8 Ų | 85.8 | 32% | 0.322 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.1 | -15.3 | 176.5 | -159.8 | -176 | 102.5 | 0 | 0 | 113.4 | K954 P955 N957 E959 K965 | K954-Q961 PolarHBondContact O-NE2 3.23Å; P955-Q961 PolarHBondContact O-NE2 2.85Å; N957-Q961 VanDerWaalsContact O-CB 3.25Å; N957-Q961 WeakPolarHBondContact O-CB 3.44Å; N957-Q961 PolarHBondContact O-N 2.78Å; E959-Q961 VanDerWaalsContact C-N 3.27Å; E959-Q961 PolarHBondContact O-N 3.34Å; Q961-K965 WeakPolarHBondContact O-CD 3.16Å; Q961-K965 VanDerWaalsContact O-CG 3.28Å; Q961-K965 WeakPolarHBondContact O-CG 3.37Å |
| 962 | R | 71.6 | Confident | 62.3 | Low | 158 Ų | 158 | 87.1 Ų | 87.1 | 60% | 0.596 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -84.9 | -45.8 | 167 | -82.8 | 175.7 | -75 | 154.6 | -2 | 111.5 | T958 E959 L960 L964 K965 V966 | T958-R962 PolarHBondContact O-NE 3.5Å; T958-R962 PolarHBondContact O-NH2 2.78Å; E959-R962 WeakPolarHBondContact O-CA 3.28Å; E959-R962 WeakPolarHBondContact O-CB 3.49Å; E959-R962 PolarHBondContact O-N 2.82Å; L960-R962 PolarHBondContact O-N 3.47Å; R962-L964 PolarHBondContact O-N 3.29Å; R962-K965 WeakPolarHBondContact O-CB 3.47Å; R962-K965 PolarHBondContact O-N 2.82Å; R962-V966 PolarHBondContact O-N 2.9Å; R962-V966 VanDerWaalsContact O-N 3.15Å |
| 963 | M | 71.9 | Confident | 61.2 | Low | 76 Ų | 76 | 89.2 Ų | 89.2 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -55.4 | -50 | 176.3 | -66.1 | -179.4 | 71.5 | 0 | 0 | 111.6 | E959 L960 K965 V966 D967 T1040 Y1044 | E959-M963 PolarHBondContact O-N 2.85Å; E959-M963 VanDerWaalsContact O-N 3.07Å; L960-M963 PolarHBondContact O-N 3.46Å; M963-K965 PolarHBondContact O-N 3.1Å; M963-K965 VanDerWaalsContact O-N 3.1Å; M963-V966 WeakPolarHBondContact O-CA 3.46Å; M963-V966 WeakPolarHBondContact O-CB 3.23Å; M963-V966 PolarHBondContact O-N 2.66Å; M963-D967 PolarHBondContact O-N 3.15Å; M963-D967 VanDerWaalsContact O-N 3.13Å; M963-T1040 HydrophobicContact CB-CG2 4.27Å; M963-T1040 HydrophobicContact CE-CG2 4.14Å; M963-Y1044 HydrophobicContact SD-CD2 3.65Å; M963-Y1044 HydrophobicContact SD-CE2 4.23Å |
| 964 | L | 70.7 | Confident | 59.2 | Low | 7 Ų | 7 | 91 Ų | 91 | 4% | 0.037 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -67.8 | -10.6 | 178.4 | -69.2 | 169.2 | 0 | 0 | 0 | 114.7 | K954 L960 R962 S968 Q1037 T1040 I1041 | K954-L964 HydrophobicContact CD-CD1 3.76Å; K954-L964 HydrophobicContact CG-CD1 3.84Å; L960-L964 HydrophobicContact CD1-CD1 4.43Å; L960-L964 HydrophobicContact CD2-CD1 3.57Å; L960-L964 HydrophobicContact CG-CD1 3.76Å; L960-L964 HydrophobicContact CG-CG 4.34Å; L960-L964 WeakPolarHBondContact O-CB 3.03Å; L960-L964 PolarHBondContact O-N 3.02Å; R962-L964 PolarHBondContact O-N 3.29Å; L964-S968 PolarHBondContact O-OG 2.82Å; L964-Q1037 HydrophobicContact CD2-CB 3.89Å; L964-Q1037 HydrophobicContact CD2-CG 4.17Å; L964-T1040 HydrophobicContact CD2-CG2 4.26Å; L964-I1041 HydrophobicContact CD1-CD1 3.89Å; L964-I1041 HydrophobicContact CD1-CG1 3.76Å; L964-I1041 HydrophobicContact CD2-CD1 4.49Å; L964-I1041 HydrophobicContact CD2-CG1 4.2Å; L964-I1041 HydrophobicContact CG-CG1 4.49Å |
| 965 | K | 68.4 | Low | 57.6 | Low | 131 Ų | 131 | 93.1 Ų | 93.1 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -87.3 | -28.3 | 168.6 | -79.9 | 177.4 | -178.5 | 179.7 | 0 | 112.3 | Q961 R962 M963 S968 A969 | Q961-K965 WeakPolarHBondContact O-CD 3.16Å; Q961-K965 VanDerWaalsContact O-CG 3.28Å; Q961-K965 WeakPolarHBondContact O-CG 3.37Å; R962-K965 WeakPolarHBondContact O-CB 3.47Å; R962-K965 PolarHBondContact O-N 2.82Å; M963-K965 PolarHBondContact O-N 3.1Å; M963-K965 VanDerWaalsContact O-N 3.1Å; K965-S968 WeakPolarHBondContact CA-OG 3.41Å; K965-S968 PolarHBondContact O-OG 2.89Å; K965-S968 VanDerWaalsContact O-OG 3.11Å; K965-A969 VanDerWaalsContact O-CB 3.31Å; K965-A969 WeakPolarHBondContact O-CB 3.49Å; K965-A969 PolarHBondContact O-N 2.68Å; K965-A969 VanDerWaalsContact O-N 3.13Å |
| 966 | V | 63.5 | Low | 55.8 | Low | 100 Ų | 100 | 97.5 Ų | 97.5 | 61% | 0.606 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.1 | -48.6 | 173.4 | 177 | 0 | 0 | 0 | 0 | 109.4 | R962 M963 S968 A969 S970 | R962-V966 PolarHBondContact O-N 2.9Å; R962-V966 VanDerWaalsContact O-N 3.15Å; M963-V966 WeakPolarHBondContact O-CA 3.46Å; M963-V966 WeakPolarHBondContact O-CB 3.23Å; M963-V966 PolarHBondContact O-N 2.66Å; V966-S968 VanDerWaalsContact C-N 3.3Å; V966-S968 PolarHBondContact O-N 2.86Å; V966-A969 WeakPolarHBondContact O-CB 3.48Å; V966-A969 PolarHBondContact O-N 2.76Å; V966-S970 PolarHBondContact O-N 2.82Å; V966-S970 PolarHBondContact O-OG 3.17Å |
| 967 | D | 53.1 | Low | 54.4 | Low | 48 Ų | 48 | 99.9 Ų | 99.9 | 26% | 0.257 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -55.4 | -45.3 | 178.7 | -58.3 | -20.8 | 0 | 0 | 0 | 111.7 | M963 A969 S970 T1040 | M963-D967 PolarHBondContact O-N 3.15Å; M963-D967 VanDerWaalsContact O-N 3.13Å; D967-A969 VanDerWaalsContact C-N 3.33Å; D967-A969 PolarHBondContact O-N 2.75Å; D967-S970 WeakPolarHBondContact O-CB 3.48Å; D967-S970 PolarHBondContact O-N 3.08Å; D967-S970 PolarHBondContact O-OG 2.95Å; D967-T1040 VanDerWaalsContact OD2-CB 3.25Å; D967-T1040 WeakPolarHBondContact OD2-CB 3.48Å; D967-T1040 VanDerWaalsContact OD2-CG2 3.29Å; D967-T1040 WeakPolarHBondContact OD2-CG2 3.1Å; D967-T1040 PolarHBondContact OD2-OG1 3.13Å |
| 968 | S | 49.8 | Very low | 52.7 | Low | 49 Ų | 49 | 104.8 Ų | 104.8 | 34% | 0.343 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72.4 | -20.3 | 176.7 | 58.2 | 0 | 0 | 0 | 0 | 114.5 | L964 K965 V966 S970 | L964-S968 PolarHBondContact O-OG 2.82Å; K965-S968 WeakPolarHBondContact CA-OG 3.41Å; K965-S968 PolarHBondContact O-OG 2.89Å; K965-S968 VanDerWaalsContact O-OG 3.11Å; V966-S968 VanDerWaalsContact C-N 3.3Å; V966-S968 PolarHBondContact O-N 2.86Å; S968-S970 VanDerWaalsContact C-N 3.28Å |
| 969 | A | 47.7 | Very low | 50.4 | Low | 76 Ų | 76 | 109.7 Ų | 109.7 | 63% | 0.628 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -79.1 | -12.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K965 V966 D967 | K965-A969 VanDerWaalsContact O-CB 3.31Å; K965-A969 WeakPolarHBondContact O-CB 3.49Å; K965-A969 PolarHBondContact O-N 2.68Å; K965-A969 VanDerWaalsContact O-N 3.13Å; V966-A969 WeakPolarHBondContact O-CB 3.48Å; V966-A969 PolarHBondContact O-N 2.76Å; D967-A969 VanDerWaalsContact C-N 3.33Å; D967-A969 PolarHBondContact O-N 2.75Å |
| 970 | S | 45.9 | Very low | 48.2 | Very low | 94 Ų | 94 | 110.6 Ų | 110.6 | 66% | 0.657 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -28.8 | 177.6 | -26.9 | 0 | 0 | 0 | 0 | 113.6 | V966 D967 S968 | V966-S970 PolarHBondContact O-N 2.82Å; V966-S970 PolarHBondContact O-OG 3.17Å; D967-S970 WeakPolarHBondContact O-CB 3.48Å; D967-S970 PolarHBondContact O-N 3.08Å; D967-S970 PolarHBondContact O-OG 2.95Å; S968-S970 VanDerWaalsContact C-N 3.28Å |
| 971 | E | 42.9 | Very low | 45.8 | Very low | 149 Ų | 149 | 116 Ų | 116 | 70% | 0.696 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -26.3 | -165.5 | -62.2 | -171.3 | 129.7 | 0 | 0 | 114 | K973 | E971-K973 PolarHBondContact O-N 3.17Š|
| 972 | E | 36.7 | Very low | 43.8 | Very low | 171 Ų | 171 | 122.6 Ų | 122.6 | 80% | 0.799 | 66% | 0.659 | S | S | * | * | trans | -81 | 72.9 | -178.2 | -69.7 | -160.9 | 142.7 | 0 | 0 | 114 | ||||
| 973 | K | 33.4 | Very low | 41.7 | Very low | 210 Ų | 210 | 122.3 Ų | 122.3 | 91% | 0.913 | 67% | 0.668 | S | S | * | * | trans | -101.2 | 57.7 | 158.9 | -83.1 | -171.4 | 175.9 | 177.2 | 0 | 112.3 | E971 | E971-K973 PolarHBondContact O-N 3.17Š| ||
| 974 | S | 27.7 | Very low | 39.8 | Very low | 100 Ų | 100 | 124.9 Ų | 124.9 | 70% | 0.699 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -145.7 | 148.8 | 162.9 | 70.9 | 0 | 0 | 0 | 0 | 111.7 | ||
| 975 | P | 31.5 | Very low | 37.7 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | trans | -86.9 | 153.8 | -165.5 | 33.5 | -36 | 0 | 0 | 0 | 114.8 | ||||
| 976 | M | 27.5 | Very low | 35.9 | Very low | 179 Ų | 179 | 134.4 Ų | 134.4 | 88% | 0.882 | 74% | 0.736 | S | S | * | * | trans | -54 | 149 | 179.7 | -62.1 | 177.9 | 176.3 | 0 | 0 | 114.8 | ||||
| 977 | T | 31.3 | Very low | 34.4 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | -141.7 | 90.7 | 146.1 | -62 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 978 | I | 30.5 | Very low | 33.2 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | 0.1 | 117.5 | 152.2 | -42.4 | 171.3 | 0 | 0 | 0 | 117.5 | ||||
| 979 | K | 28.3 | Very low | 32.3 | Very low | 201 Ų | 201 | 143.3 Ų | 143.3 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | 170.8 | 145 | 130.6 | -93.2 | 153.7 | -167.5 | 174.3 | 0 | 110.4 | ||||
| 980 | A | 29.2 | Very low | 31.8 | Very low | 98 Ų | 98 | 147.3 Ų | 147.3 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | cis | -148.5 | 159 | -5.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 981 | S | 27.2 | Very low | 31.4 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | -103.4 | 135.3 | 176.7 | 48.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 982 | K | 30.7 | Very low | 31.5 | Very low | 206 Ų | 206 | 148.7 Ų | 148.7 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | trans | -171 | 100.8 | 156.3 | -105.4 | 167.4 | -175.6 | -177 | 0 | 106.5 | ||||
| 983 | L | 29.2 | Very low | 32 | Very low | 152 Ų | 152 | 146 Ų | 146 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | 75.4 | 91.7 | 56.7 | -162.5 | 158.9 | 0 | 0 | 0 | 112.4 | |||||
| 984 | V | 30.1 | Very low | 32.9 | Very low | 130 Ų | 130 | 139 Ų | 139 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | trans | -133.8 | 114.6 | 145.1 | 177.4 | 0 | 0 | 0 | 0 | 107 | N986 | V984-N986 HydrophobicContact CG1-CB 4.35Š| ||
| 985 | K | 27.1 | Very low | 34 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | trans | -87.2 | 128.9 | 152.6 | -72.4 | 179.5 | 175.9 | -179.4 | 0 | 106.1 | ||||
| 986 | N | 30 | Very low | 34.9 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | trans | -159.7 | 147.4 | 154.4 | -100.3 | -19.8 | 0 | 0 | 0 | 110 | V984 S988 | V984-N986 HydrophobicContact CG1-CB 4.35Å; N986-S988 PolarHBondContact O-N 3.3Å | ||
| 987 | Q | 31.9 | Very low | 36.2 | Very low | 204 Ų | 204 | 132.6 Ų | 132.6 | 95% | 0.953 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -102.3 | 68.7 | -171.2 | -67.6 | 169 | -69 | 0 | 0 | 111.2 | ||
| 988 | S | 29.1 | Very low | 37.1 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | trans | -164.9 | 139.6 | 169.1 | 48.5 | 0 | 0 | 0 | 0 | 110.8 | N986 | N986-S988 PolarHBondContact O-N 3.3Š| ||
| 989 | G | 30.8 | Very low | 38.4 | Very low | 69 Ų | 69 | 129.1 Ų | 129.1 | 71% | 0.711 | 70% | 0.699 | S | S | * | * | trans | 87.3 | 91 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 990 | I | 37.4 | Very low | 39.8 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 83% | 0.826 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -92.8 | -8.3 | 174.2 | -76.2 | 174.4 | 0 | 0 | 0 | 112.2 | ||
| 991 | E | 37.9 | Very low | 40.9 | Very low | 157 Ų | 157 | 127.6 Ų | 127.6 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -86.3 | -38.6 | -165 | -54 | -167.1 | 132.6 | 0 | 0 | 113.9 | V993 T994 | E991-V993 PolarHBondContact O-N 3.17Å; E991-T994 PolarHBondContact O-N 3.4Å; E991-T994 VanDerWaalsContact O-N 3.15Å; E991-T994 PolarHBondContact O-OG1 2.97Å |
| 992 | D | 45.3 | Very low | 42.1 | Very low | 115 Ų | 115 | 127 Ų | 127 | 62% | 0.615 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -23.3 | -168.9 | -84.7 | -43.6 | 0 | 0 | 0 | 116.2 | T994 T995 L996 | D992-T994 PolarHBondContact O-N 2.86Å; D992-T995 WeakPolarHBondContact CA-OG1 3.04Å; D992-T995 PolarHBondContact O-N 3.06Å; D992-T995 VanDerWaalsContact O-N 3.12Å; D992-T995 PolarHBondContact O-OG1 3.39Å; D992-T995 PolarHBondContact OD1-OG1 3.48Å; D992-L996 PolarHBondContact O-N 2.95Å |
| 993 | V | 46.4 | Very low | 43.2 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 69% | 0.691 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62.7 | -27.9 | 172.4 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | E991 | E991-V993 PolarHBondContact O-N 3.17Å |
| 994 | T | 51.1 | Low | 44.5 | Very low | 63 Ų | 63 | 119.7 Ų | 119.7 | 39% | 0.387 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -83.6 | -15.5 | 178.3 | 82.5 | 0 | 0 | 0 | 0 | 113.7 | E991 D992 K998 | E991-T994 PolarHBondContact O-N 3.4Å; E991-T994 VanDerWaalsContact O-N 3.15Å; E991-T994 PolarHBondContact O-OG1 2.97Å; D992-T994 PolarHBondContact O-N 2.86Å; T994-K998 WeakPolarHBondContact O-CD 3.47Å; T994-K998 WeakPolarHBondContact O-CE 3.48Å; T994-K998 WeakPolarHBondContact O-CG 3.22Å; T994-K998 PolarHBondContact O-NZ 2.84Å; T994-K998 PolarHBondContact OG1-NZ 3.13Å |
| 995 | T | 51 | Low | 45.4 | Very low | 55 Ų | 55 | 116.8 Ų | 116.8 | 34% | 0.337 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -83.1 | -43.7 | 179 | 56.7 | 0 | 0 | 0 | 0 | 110.5 | D992 K998 L999 | D992-T995 WeakPolarHBondContact CA-OG1 3.04Å; D992-T995 PolarHBondContact O-N 3.06Å; D992-T995 VanDerWaalsContact O-N 3.12Å; D992-T995 PolarHBondContact O-OG1 3.39Å; D992-T995 PolarHBondContact OD1-OG1 3.48Å; T995-K998 PolarHBondContact O-N 3.11Å; T995-L999 WeakPolarHBondContact O-CG 3Å; T995-L999 PolarHBondContact O-N 2.84Å |
| 996 | L | 52.1 | Low | 46.3 | Very low | 120 Ų | 120 | 111.1 Ų | 111.1 | 63% | 0.628 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.9 | -46.6 | 175.7 | -79.3 | 165.6 | 0 | 0 | 0 | 113.2 | D992 K998 L999 E1000 | D992-L996 PolarHBondContact O-N 2.95Å; L996-K998 VanDerWaalsContact C-N 3.25Å; L996-K998 PolarHBondContact O-N 2.94Å; L996-L999 PolarHBondContact O-N 3.46Å; L996-L999 VanDerWaalsContact O-N 3.13Å; L996-E1000 PolarHBondContact O-N 3.29Å |
| 997 | E | 54.1 | Low | 47.3 | Very low | 94 Ų | 94 | 112.3 Ų | 112.3 | 44% | 0.439 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.9 | -33.5 | 174.8 | -84.6 | -147.8 | 139 | 0 | 0 | 113 | R1001 | E997-R1001 WeakPolarHBondContact O-CB 3.08Å; E997-R1001 VanDerWaalsContact O-CD 3.3Å; E997-R1001 WeakPolarHBondContact O-CD 3.3Å; E997-R1001 WeakPolarHBondContact O-CG 3.21Å; E997-R1001 PolarHBondContact O-N 2.66Å; E997-R1001 IonicContact OE1-CZ 3.98Å; E997-R1001 IonicContact OE1-NH2 2.68Å; E997-R1001 PolarHBondContact OE1-NH2 3.28Å; E997-R1001 IonicContact OE2-CZ 3.51Å; E997-R1001 IonicContact OE2-NH1 2.67Å; E997-R1001 PolarHBondContact OE2-NH1 3Å; E997-R1001 IonicContact OE2-NH2 3.38Å; E997-R1001 PolarHBondContact OE2-NH2 3.39Å |
| 998 | K | 49.4 | Very low | 48.1 | Very low | 103 Ų | 103 | 107 Ų | 107 | 45% | 0.448 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.9 | -41.9 | 175.4 | -73.2 | 166.4 | -153.3 | 144.5 | 0 | 110.2 | T994 T995 L996 R1001 L1002 | T994-K998 WeakPolarHBondContact O-CD 3.47Å; T994-K998 WeakPolarHBondContact O-CE 3.48Å; T994-K998 WeakPolarHBondContact O-CG 3.22Å; T994-K998 PolarHBondContact O-NZ 2.84Å; T994-K998 PolarHBondContact OG1-NZ 3.13Å; T995-K998 PolarHBondContact O-N 3.11Å; L996-K998 VanDerWaalsContact C-N 3.25Å; L996-K998 PolarHBondContact O-N 2.94Å; K998-R1001 PolarHBondContact O-N 2.94Å; K998-L1002 VanDerWaalsContact O-CB 3.24Å; K998-L1002 WeakPolarHBondContact O-CB 3.41Å; K998-L1002 PolarHBondContact O-N 3.25Å |
| 999 | L | 58.8 | Low | 48.8 | Very low | 106 Ų | 106 | 107.1 Ų | 107.1 | 56% | 0.555 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.8 | -48.3 | 176.8 | -80.1 | 165.3 | 0 | 0 | 0 | 111.9 | T995 L996 R1001 L1002 H1003 | T995-L999 WeakPolarHBondContact O-CG 3Å; T995-L999 PolarHBondContact O-N 2.84Å; L996-L999 PolarHBondContact O-N 3.46Å; L996-L999 VanDerWaalsContact O-N 3.13Å; L999-R1001 VanDerWaalsContact C-N 3.31Å; L999-R1001 PolarHBondContact O-N 2.8Å; L999-L1002 PolarHBondContact O-N 3.48Å; L999-H1003 WeakPolarHBondContact O-CB 3.5Å; L999-H1003 PolarHBondContact O-N 2.85Å |
| 1000 | E | 56.8 | Low | 49 | Very low | 142 Ų | 142 | 111.4 Ų | 111.4 | 66% | 0.664 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.7 | -39.2 | 176.9 | -73.2 | -165.4 | 131.3 | 0 | 0 | 112.7 | L996 S1004 | L996-E1000 PolarHBondContact O-N 3.29Å; E1000-S1004 WeakPolarHBondContact O-CB 3.34Å; E1000-S1004 PolarHBondContact O-N 3.17Å; E1000-S1004 PolarHBondContact O-OG 3.5Å |
| 1001 | R | 51.9 | Low | 48.8 | Very low | 126 Ų | 126 | 106.9 Ų | 106.9 | 48% | 0.475 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.2 | -45.1 | 175.6 | -71.8 | 168.8 | -171.2 | 142.7 | 10.8 | 111.3 | E997 K998 L999 H1003 S1004 S1005 | E997-R1001 WeakPolarHBondContact O-CB 3.08Å; E997-R1001 VanDerWaalsContact O-CD 3.3Å; E997-R1001 WeakPolarHBondContact O-CD 3.3Å; E997-R1001 WeakPolarHBondContact O-CG 3.21Å; E997-R1001 PolarHBondContact O-N 2.66Å; E997-R1001 IonicContact OE1-CZ 3.98Å; E997-R1001 IonicContact OE1-NH2 2.68Å; E997-R1001 PolarHBondContact OE1-NH2 3.28Å; E997-R1001 IonicContact OE2-CZ 3.51Å; E997-R1001 IonicContact OE2-NH1 2.67Å; E997-R1001 PolarHBondContact OE2-NH1 3Å; E997-R1001 IonicContact OE2-NH2 3.38Å; E997-R1001 PolarHBondContact OE2-NH2 3.39Å; K998-R1001 PolarHBondContact O-N 2.94Å; L999-R1001 VanDerWaalsContact C-N 3.31Å; L999-R1001 PolarHBondContact O-N 2.8Å; R1001-H1003 VanDerWaalsContact C-N 3.35Å; R1001-H1003 PolarHBondContact O-N 2.89Å; R1001-S1004 WeakPolarHBondContact O-CB 3.42Å; R1001-S1004 PolarHBondContact O-N 2.89Å; R1001-S1005 WeakPolarHBondContact O-CB 3.39Å; R1001-S1005 PolarHBondContact O-N 3.1Å; R1001-S1005 PolarHBondContact O-OG 3.34Å |
| 1002 | L | 53.3 | Low | 48.4 | Very low | 102 Ų | 102 | 107.8 Ų | 107.8 | 53% | 0.534 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.3 | -39.1 | 178 | -157.7 | 160.3 | 0 | 0 | 0 | 110.9 | K998 L999 S1004 S1005 L1006 | K998-L1002 VanDerWaalsContact O-CB 3.24Å; K998-L1002 WeakPolarHBondContact O-CB 3.41Å; K998-L1002 PolarHBondContact O-N 3.25Å; L999-L1002 PolarHBondContact O-N 3.48Å; L1002-S1004 VanDerWaalsContact C-N 3.32Å; L1002-S1004 PolarHBondContact O-N 3.43Å; L1002-S1005 PolarHBondContact O-N 2.87Å; L1002-L1006 HydrophobicContact CD2-CD1 3.54Å; L1002-L1006 HydrophobicContact CD2-CG 3.94Å; L1002-L1006 WeakPolarHBondContact O-CB 3.42Å; L1002-L1006 WeakPolarHBondContact O-CG 3.39Å; L1002-L1006 PolarHBondContact O-N 3.35Å |
| 1003 | H | 52.9 | Low | 47.7 | Very low | 124 Ų | 124 | 111 Ų | 111 | 57% | 0.574 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.7 | -27.9 | 175.9 | -152.8 | -38.3 | 0 | 0 | 0 | 113 | L999 R1001 | L999-H1003 WeakPolarHBondContact O-CB 3.5Å; L999-H1003 PolarHBondContact O-N 2.85Å; R1001-H1003 VanDerWaalsContact C-N 3.35Å; R1001-H1003 PolarHBondContact O-N 2.89Å |
| 1004 | S | 56.5 | Low | 46.9 | Very low | 79 Ų | 79 | 112.6 Ų | 112.6 | 55% | 0.552 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -76.6 | -39.7 | 171.1 | -58 | 0 | 0 | 0 | 0 | 111.7 | E1000 R1001 L1002 K1007 S1008 | E1000-S1004 WeakPolarHBondContact O-CB 3.34Å; E1000-S1004 PolarHBondContact O-N 3.17Å; E1000-S1004 PolarHBondContact O-OG 3.5Å; R1001-S1004 WeakPolarHBondContact O-CB 3.42Å; R1001-S1004 PolarHBondContact O-N 2.89Å; L1002-S1004 VanDerWaalsContact C-N 3.32Å; L1002-S1004 PolarHBondContact O-N 3.43Å; S1004-K1007 PolarHBondContact O-N 2.93Å; S1004-S1008 PolarHBondContact O-N 2.97Å |
| 1005 | S | 49.2 | Very low | 45.9 | Very low | 69 Ų | 69 | 114.8 Ų | 114.8 | 48% | 0.483 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -70.1 | -39.4 | 176 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | R1001 L1002 K1007 S1008 V1009 | R1001-S1005 WeakPolarHBondContact O-CB 3.39Å; R1001-S1005 PolarHBondContact O-N 3.1Å; R1001-S1005 PolarHBondContact O-OG 3.34Å; L1002-S1005 PolarHBondContact O-N 2.87Å; S1005-K1007 VanDerWaalsContact C-N 3.32Å; S1005-K1007 PolarHBondContact O-N 3.4Å; S1005-S1008 WeakPolarHBondContact CA-OG 3.39Å; S1005-S1008 CarbonylContact O-C 3.59Å; S1005-S1008 WeakPolarHBondContact O-CA 3.39Å; S1005-S1008 PolarHBondContact O-N 2.9Å; S1005-S1008 PolarHBondContact O-OG 3Å; S1005-V1009 WeakPolarHBondContact O-CG2 3.44Å; S1005-V1009 PolarHBondContact O-N 2.85Å |
| 1006 | L | 47.3 | Very low | 44.8 | Very low | 75 Ų | 75 | 122.6 Ų | 122.6 | 39% | 0.393 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -57.1 | -45.4 | 172.8 | -82.6 | 168.5 | 0 | 0 | 0 | 111.1 | L1002 S1008 V1009 E1010 | L1002-L1006 HydrophobicContact CD2-CD1 3.54Å; L1002-L1006 HydrophobicContact CD2-CG 3.94Å; L1002-L1006 WeakPolarHBondContact O-CB 3.42Å; L1002-L1006 WeakPolarHBondContact O-CG 3.39Å; L1002-L1006 PolarHBondContact O-N 3.35Å; L1006-S1008 PolarHBondContact O-N 3.28Å; L1006-V1009 PolarHBondContact O-N 2.96Å; L1006-E1010 PolarHBondContact O-N 2.85Å |
| 1007 | K | 49.5 | Very low | 43.9 | Very low | 170 Ų | 170 | 123.4 Ų | 123.4 | 74% | 0.739 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -11.7 | 172.6 | -83.4 | -177.5 | 173.2 | 174.6 | 0 | 115.4 | S1004 S1005 | S1004-K1007 PolarHBondContact O-N 2.93Å; S1005-K1007 VanDerWaalsContact C-N 3.32Å; S1005-K1007 PolarHBondContact O-N 3.4Å |
| 1008 | S | 48.4 | Very low | 42.8 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 65% | 0.65 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -4.1 | 173.4 | 68.1 | 0 | 0 | 0 | 0 | 114.2 | S1004 S1005 L1006 | S1004-S1008 PolarHBondContact O-N 2.97Å; S1005-S1008 WeakPolarHBondContact CA-OG 3.39Å; S1005-S1008 CarbonylContact O-C 3.59Å; S1005-S1008 WeakPolarHBondContact O-CA 3.39Å; S1005-S1008 PolarHBondContact O-N 2.9Å; S1005-S1008 PolarHBondContact O-OG 3Å; L1006-S1008 PolarHBondContact O-N 3.28Å |
| 1009 | V | 45.1 | Very low | 42 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 69% | 0.685 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | -31.8 | -177.9 | 175.2 | 0 | 0 | 0 | 0 | 111.6 | S1005 L1006 G1011 | S1005-V1009 WeakPolarHBondContact O-CG2 3.44Å; S1005-V1009 PolarHBondContact O-N 2.85Å; L1006-V1009 PolarHBondContact O-N 2.96Å; V1009-G1011 PolarHBondContact O-N 3.15Å |
| 1010 | E | 33.7 | Very low | 40.7 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -81.9 | 60.1 | 171.4 | -64 | -174.8 | 124 | 0 | 0 | 111.1 | L1006 | L1006-E1010 PolarHBondContact O-N 2.85Š|
| 1011 | G | 33.3 | Very low | 39.8 | Very low | 66 Ų | 66 | 132.4 Ų | 132.4 | 68% | 0.68 | 69% | 0.691 | S | S | * | * | trans | -131.7 | 106.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | V1009 | V1009-G1011 PolarHBondContact O-N 3.15Š| ||
| 1012 | L | 29.8 | Very low | 38.9 | Very low | 176 Ų | 176 | 132 Ų | 132 | 92% | 0.921 | 71% | 0.707 | S | S | * | * | trans | -64.7 | 154.8 | -171.3 | -91.8 | 159.7 | 0 | 0 | 0 | 114.1 | ||||
| 1013 | K | 30.6 | Very low | 38.1 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | trans | -57.3 | 153.7 | 166.3 | -70.6 | 176.7 | 173.1 | 175.6 | 0 | 111.5 | ||||
| 1014 | N | 29.9 | Very low | 37.4 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | trans | 89.3 | 137 | 158.5 | -56.7 | -18.1 | 0 | 0 | 0 | 118.8 | ||||
| 1015 | V | 31 | Very low | 36.6 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 66% | 0.661 | 73% | 0.734 | S | S | * | * | trans | 85.8 | 112 | 142.8 | 158.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1016 | W | 27.3 | Very low | 36.4 | Very low | 218 Ų | 218 | 140.9 Ų | 140.9 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | trans | 45.8 | 148.7 | 148 | -64.3 | -55.7 | 0 | 0 | 0 | 123.9 | ||||
| 1017 | D | 33.3 | Very low | 36.4 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | -35.4 | 137.1 | 159.1 | -49.4 | -95.5 | 0 | 0 | 0 | 113.8 | ||||
| 1018 | N | 30.3 | Very low | 36.1 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | -161.9 | 157.6 | 114.6 | -110.1 | -70.9 | 0 | 0 | 0 | 113.7 | |||||
| 1019 | T | 33.6 | Very low | 36.1 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | trans | -78 | 120.1 | 176.8 | 42.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1020 | K | 31.8 | Very low | 36.1 | Very low | 192 Ų | 192 | 142.3 Ų | 142.3 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | trans | 162.5 | 100.3 | 141.7 | -90.8 | 158.7 | -175.7 | 178.6 | 0 | 111.8 | ||||
| 1021 | L | 37 | Very low | 36.7 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 86% | 0.859 | 74% | 0.736 | S | S | * | * | trans | -156 | 42.1 | 161.9 | -118.4 | 164.9 | 0 | 0 | 0 | 111.6 | E1023 | L1021-E1023 VanDerWaalsContact C-N 3.26Å; L1021-E1023 PolarHBondContact O-N 2.87Å | ||
| 1022 | S | 32.7 | Very low | 37.5 | Very low | 118 Ų | 118 | 143 Ų | 143 | 83% | 0.825 | 73% | 0.732 | S | S | * | * | trans | -82.1 | 50.4 | -172.9 | 55 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1023 | E | 37.6 | Very low | 38.5 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | trans | -150 | 34 | -176.2 | -137.2 | 162.8 | -121.2 | 0 | 0 | 115.7 | L1021 | L1021-E1023 VanDerWaalsContact C-N 3.26Å; L1021-E1023 PolarHBondContact O-N 2.87Å | ||
| 1024 | K | 38.1 | Very low | 39.7 | Very low | 168 Ų | 168 | 131.3 Ų | 131.3 | 73% | 0.73 | 69% | 0.686 | S | S | * | * | trans | -134.8 | 78.7 | 164.7 | -71.8 | -167.8 | 177.1 | 177.6 | 0 | 112.1 | N1026 | K1024-N1026 VanDerWaalsContact C-N 3.25Å; K1024-N1026 PolarHBondContact O-N 3.46Å | ||
| 1025 | S | 39.7 | Very low | 41.5 | Very low | 93 Ų | 93 | 130.4 Ų | 130.4 | 65% | 0.65 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -31.9 | -179.7 | 39.3 | 0 | 0 | 0 | 0 | 114.6 | I1027 K1028 | S1025-I1027 PolarHBondContact O-N 2.94Å; S1025-I1027 VanDerWaalsContact O-N 3.12Å; S1025-K1028 PolarHBondContact O-N 3.41Å |
| 1026 | N | 45.2 | Very low | 43.3 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.3 | -15.4 | -171.3 | -62.5 | 4.6 | 0 | 0 | 0 | 115.6 | K1024 | K1024-N1026 VanDerWaalsContact C-N 3.25Å; K1024-N1026 PolarHBondContact O-N 3.46Å |
| 1027 | I | 45.7 | Very low | 45.3 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 58% | 0.579 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -78.8 | -27.9 | 178.1 | -63.5 | 174.7 | 0 | 0 | 0 | 111.2 | S1025 L1031 | S1025-I1027 PolarHBondContact O-N 2.94Å; S1025-I1027 VanDerWaalsContact O-N 3.12Å; I1027-L1031 HydrophobicContact CG2-CD1 4.4Å |
| 1028 | K | 44.7 | Very low | 47.2 | Very low | 161 Ų | 161 | 119.3 Ų | 119.3 | 70% | 0.7 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -79.3 | -34.4 | -175.6 | -151.6 | 172.3 | -173.9 | 179.9 | 0 | 112.3 | S1025 L1031 L1032 | S1025-K1028 PolarHBondContact O-N 3.41Å; K1028-L1031 PolarHBondContact O-N 2.87Å; K1028-L1032 HydrophobicContact CG-CD1 4.36Å; K1028-L1032 VanDerWaalsContact O-CD1 3.23Å; K1028-L1032 WeakPolarHBondContact O-CD1 3.37Å; K1028-L1032 PolarHBondContact O-N 2.83Å |
| 1029 | T | 46.9 | Very low | 49.4 | Very low | 72 Ų | 72 | 115.8 Ų | 115.8 | 44% | 0.442 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62.6 | -50.2 | 174.8 | -6 | 0 | 0 | 0 | 0 | 111.6 | L1031 L1032 D1033 | T1029-L1031 PolarHBondContact O-N 2.81Å; T1029-L1032 PolarHBondContact O-N 2.77Å; T1029-D1033 PolarHBondContact O-N 2.85Å |
| 1030 | L | 45.7 | Very low | 51.6 | Low | 134 Ų | 134 | 111.3 Ų | 111.3 | 70% | 0.702 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -57.9 | -21.1 | 177.4 | -74.5 | 168.6 | 0 | 0 | 0 | 114.3 | ||
| 1031 | L | 46.7 | Very low | 53.9 | Low | 129 Ų | 129 | 103.7 Ų | 103.7 | 68% | 0.675 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -92.8 | -13.7 | 175.2 | -77.5 | 167.7 | 0 | 0 | 0 | 114.2 | I1027 K1028 T1029 | I1027-L1031 HydrophobicContact CG2-CD1 4.4Å; K1028-L1031 PolarHBondContact O-N 2.87Å; T1029-L1031 PolarHBondContact O-N 2.81Å |
| 1032 | L | 49.4 | Very low | 55.9 | Low | 111 Ų | 111 | 98.4 Ų | 98.4 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -90.8 | -51.2 | 169.7 | -89.5 | 80.7 | 0 | 0 | 0 | 110.9 | K1028 T1029 G1034 K1035 P1036 | K1028-L1032 HydrophobicContact CG-CD1 4.36Å; K1028-L1032 VanDerWaalsContact O-CD1 3.23Å; K1028-L1032 WeakPolarHBondContact O-CD1 3.37Å; K1028-L1032 PolarHBondContact O-N 2.83Å; T1029-L1032 PolarHBondContact O-N 2.77Å; L1032-G1034 PolarHBondContact O-N 3.5Å; L1032-K1035 VanDerWaalsContact O-CB 3.23Å; L1032-K1035 WeakPolarHBondContact O-CB 3.28Å; L1032-K1035 PolarHBondContact O-N 2.94Å; L1032-P1036 VanDerWaalsContact O-CD 3.27Å; L1032-P1036 WeakPolarHBondContact O-CD 3.22Å |
| 1033 | D | 51.7 | Low | 58.2 | Low | 85 Ų | 85 | 99.8 Ų | 99.8 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -31.3 | -175.2 | -48.1 | -16.2 | 0 | 0 | 0 | 112.2 | T1029 K1035 | T1029-D1033 PolarHBondContact O-N 2.85Å; D1033-K1035 VanDerWaalsContact C-N 3.32Å |
| 1034 | G | 55.9 | Low | 60.4 | Low | 28 Ų | 28 | 91.5 Ų | 91.5 | 29% | 0.289 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -73.6 | -18.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1032 L1038 | L1032-G1034 PolarHBondContact O-N 3.5Å; G1034-L1038 WeakPolarHBondContact O-CB 3.23Å; G1034-L1038 WeakPolarHBondContact O-CD1 3.38Å; G1034-L1038 VanDerWaalsContact O-CG 3.24Å; G1034-L1038 WeakPolarHBondContact O-CG 3.11Å; G1034-L1038 PolarHBondContact O-N 2.83Å |
| 1035 | K | 67.5 | Low | 62.3 | Low | 129 Ų | 129 | 91.2 Ų | 91.2 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -71.4 | -53.2 | -169.9 | -157.1 | -179.6 | -178.7 | -169.7 | 0 | 114.2 | L1032 D1033 Q1037 L1038 D1039 | L1032-K1035 VanDerWaalsContact O-CB 3.23Å; L1032-K1035 WeakPolarHBondContact O-CB 3.28Å; L1032-K1035 PolarHBondContact O-N 2.94Å; D1033-K1035 VanDerWaalsContact C-N 3.32Å; K1035-Q1037 PolarHBondContact O-N 2.8Å; K1035-L1038 WeakPolarHBondContact O-CB 3.37Å; K1035-L1038 PolarHBondContact O-N 3.06Å; K1035-D1039 PolarHBondContact O-N 2.86Å |
| 1036 | P | 68.6 | Low | 64.1 | Low | 62 Ų | 62 | 90.8 Ų | 90.8 | 40% | 0.403 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60 | -37.4 | 176.6 | 24.1 | -33.2 | 0 | 0 | 0 | 111.5 | L1032 L1038 D1039 T1040 | L1032-P1036 VanDerWaalsContact O-CD 3.27Å; L1032-P1036 WeakPolarHBondContact O-CD 3.22Å; P1036-L1038 VanDerWaalsContact C-N 3.33Å; P1036-L1038 PolarHBondContact O-N 2.9Å; P1036-D1039 PolarHBondContact O-N 3.15Å; P1036-T1040 PolarHBondContact O-N 2.87Å; P1036-T1040 PolarHBondContact O-OG1 2.87Å |
| 1037 | Q | 69.8 | Low | 65.8 | Low | 57 Ų | 57 | 90.8 Ų | 90.8 | 27% | 0.266 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.2 | -33.7 | 175.6 | -62.3 | -170.7 | 27 | 0 | 0 | 113.1 | L964 K1035 I1041 | L964-Q1037 HydrophobicContact CD2-CB 3.89Å; L964-Q1037 HydrophobicContact CD2-CG 4.17Å; K1035-Q1037 PolarHBondContact O-N 2.8Å; Q1037-I1041 WeakPolarHBondContact O-CB 3.32Å; Q1037-I1041 VanDerWaalsContact O-CD1 3.27Å; Q1037-I1041 WeakPolarHBondContact O-CD1 3.48Å; Q1037-I1041 WeakPolarHBondContact O-CG1 3.45Å; Q1037-I1041 PolarHBondContact O-N 2.87Å; Q1037-I1041 VanDerWaalsContact O-N 3.08Å |
| 1038 | L | 72.2 | Confident | 67.3 | Low | 111 Ų | 111 | 88 Ų | 88 | 58% | 0.581 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -70.4 | -36.6 | 173.2 | -77.8 | 166.2 | 0 | 0 | 0 | 111.8 | G1034 K1035 P1036 I1041 S1042 | G1034-L1038 WeakPolarHBondContact O-CB 3.23Å; G1034-L1038 WeakPolarHBondContact O-CD1 3.38Å; G1034-L1038 VanDerWaalsContact O-CG 3.24Å; G1034-L1038 WeakPolarHBondContact O-CG 3.11Å; G1034-L1038 PolarHBondContact O-N 2.83Å; K1035-L1038 WeakPolarHBondContact O-CB 3.37Å; K1035-L1038 PolarHBondContact O-N 3.06Å; P1036-L1038 VanDerWaalsContact C-N 3.33Å; P1036-L1038 PolarHBondContact O-N 2.9Å; L1038-I1041 PolarHBondContact O-N 3.38Å; L1038-S1042 PolarHBondContact O-N 2.91Å |
| 1039 | D | 77.8 | Confident | 68.7 | Low | 84 Ų | 84 | 85.5 Ų | 85.5 | 45% | 0.449 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -72.8 | -38.2 | 177.9 | -66.3 | -32.9 | 0 | 0 | 0 | 111.9 | K1035 P1036 I1041 S1042 H1043 | K1035-D1039 PolarHBondContact O-N 2.86Å; P1036-D1039 PolarHBondContact O-N 3.15Å; D1039-I1041 VanDerWaalsContact C-N 3.33Å; D1039-I1041 PolarHBondContact O-N 3.01Å; D1039-S1042 PolarHBondContact O-N 3.48Å; D1039-S1042 PolarHBondContact O-OG 2.63Å; D1039-H1043 PolarHBondContact O-N 3.02Å |
| 1040 | T | 79 | Confident | 69.9 | Low | 26 Ų | 26 | 88.1 Ų | 88.1 | 16% | 0.16 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64 | -38.2 | 168.7 | -52.3 | 0 | 0 | 0 | 0 | 111.4 | M963 L964 D967 P1036 Y1044 | M963-T1040 HydrophobicContact CB-CG2 4.27Å; M963-T1040 HydrophobicContact CE-CG2 4.14Å; L964-T1040 HydrophobicContact CD2-CG2 4.26Å; D967-T1040 VanDerWaalsContact OD2-CB 3.25Å; D967-T1040 WeakPolarHBondContact OD2-CB 3.48Å; D967-T1040 VanDerWaalsContact OD2-CG2 3.29Å; D967-T1040 WeakPolarHBondContact OD2-CG2 3.1Å; D967-T1040 PolarHBondContact OD2-OG1 3.13Å; P1036-T1040 PolarHBondContact O-N 2.87Å; P1036-T1040 PolarHBondContact O-OG1 2.87Å; T1040-Y1044 WeakPolarHBondContact O-CB 3.5Å; T1040-Y1044 PolarHBondContact O-N 3.13Å |
| 1041 | I | 79.5 | Confident | 71.1 | Confident | 33 Ų | 33 | 84.4 Ų | 84.4 | 17% | 0.169 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.9 | -37.3 | 174.4 | -73.7 | 164.8 | 0 | 0 | 0 | 111.5 | L960 L964 Q1037 L1038 D1039 R1045 | L960-I1041 HydrophobicContact CD1-CG1 4.1Å; L960-I1041 HydrophobicContact CD2-CG1 4.38Å; L964-I1041 HydrophobicContact CD1-CD1 3.89Å; L964-I1041 HydrophobicContact CD1-CG1 3.76Å; L964-I1041 HydrophobicContact CD2-CD1 4.49Å; L964-I1041 HydrophobicContact CD2-CG1 4.2Å; L964-I1041 HydrophobicContact CG-CG1 4.49Å; Q1037-I1041 WeakPolarHBondContact O-CB 3.32Å; Q1037-I1041 VanDerWaalsContact O-CD1 3.27Å; Q1037-I1041 WeakPolarHBondContact O-CD1 3.48Å; Q1037-I1041 WeakPolarHBondContact O-CG1 3.45Å; Q1037-I1041 PolarHBondContact O-N 2.87Å; Q1037-I1041 VanDerWaalsContact O-N 3.08Å; L1038-I1041 PolarHBondContact O-N 3.38Å; D1039-I1041 VanDerWaalsContact C-N 3.33Å; D1039-I1041 PolarHBondContact O-N 3.01Å; I1041-R1045 HydrophobicContact CG2-CG 4.47Å; I1041-R1045 VanDerWaalsContact O-CB 3.27Å; I1041-R1045 WeakPolarHBondContact O-CB 3.27Å; I1041-R1045 VanDerWaalsContact O-CG 3.24Å; I1041-R1045 WeakPolarHBondContact O-CG 3.14Å; I1041-R1045 PolarHBondContact O-N 2.86Å |
| 1042 | S | 79.8 | Confident | 72 | Confident | 52 Ų | 52 | 83.1 Ų | 83.1 | 36% | 0.364 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.6 | -48.1 | 178.1 | 74.9 | 0 | 0 | 0 | 0 | 110.8 | L1038 D1039 Y1044 R1045 D1046 | L1038-S1042 PolarHBondContact O-N 2.91Å; D1039-S1042 PolarHBondContact O-N 3.48Å; D1039-S1042 PolarHBondContact O-OG 2.63Å; S1042-Y1044 PolarHBondContact O-N 2.86Å; S1042-R1045 PolarHBondContact O-N 2.88Å; S1042-R1045 VanDerWaalsContact O-N 3.13Å; S1042-D1046 PolarHBondContact O-N 3.05Å |
| 1043 | H | 80.8 | Confident | 72.7 | Confident | 148 Ų | 148 | 83.1 Ų | 83.1 | 69% | 0.685 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -58.4 | -46.9 | 175.3 | -101.9 | -71.1 | 0 | 0 | 0 | 112.7 | D1039 R1045 D1046 Q1047 | D1039-H1043 PolarHBondContact O-N 3.02Å; H1043-R1045 VanDerWaalsContact C-N 3.33Å; H1043-R1045 PolarHBondContact O-N 2.64Å; H1043-D1046 PolarHBondContact O-N 2.86Å; H1043-Q1047 WeakPolarHBondContact O-CB 3.19Å; H1043-Q1047 PolarHBondContact O-N 2.71Å |
| 1044 | Y | 82.9 | Confident | 73.4 | Confident | 7 Ų | 7 | 84.4 Ų | 84.4 | 3% | 0.027 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 176.1 | -177.2 | -89.8 | 0 | 0 | 0 | 111.9 | N957 E959 L960 M963 T1040 S1042 K1048 | N957-Y1044 PolarHBondContact ND2-OH 3.13Å; N957-Y1044 PolarHBondContact OD1-OH 2.93Å; E959-Y1044 HydrophobicContact CG-CE2 4.04Å; E959-Y1044 VanDerWaalsContact OE2-CE2 3.25Å; E959-Y1044 WeakPolarHBondContact OE2-CE2 3.33Å; E959-Y1044 VanDerWaalsContact OE2-CZ 3.31Å; E959-Y1044 PolarHBondContact OE2-OH 3.24Å; L960-Y1044 HydrophobicContact CB-CD1 4.09Å; L960-Y1044 HydrophobicContact CB-CE1 3.97Å; L960-Y1044 HydrophobicContact CB-CE2 4.44Å; L960-Y1044 HydrophobicContact CB-CG 4.37Å; L960-Y1044 HydrophobicContact CD1-CD1 3.32Å; L960-Y1044 HydrophobicContact CD1-CD2 4.29Å; L960-Y1044 HydrophobicContact CD1-CE1 4.06Å; L960-Y1044 HydrophobicContact CD1-CG 3.45Å; L960-Y1044 VanDerWaalsContact CD1-CG 3.45Å; L960-Y1044 HydrophobicContact CG-CD1 4.3Å; L960-Y1044 HydrophobicContact CG-CG 4.5Å; M963-Y1044 HydrophobicContact SD-CD2 3.65Å; M963-Y1044 HydrophobicContact SD-CE2 4.23Å; T1040-Y1044 WeakPolarHBondContact O-CB 3.5Å; T1040-Y1044 PolarHBondContact O-N 3.13Å; S1042-Y1044 PolarHBondContact O-N 2.86Å; Y1044-K1048 HydrophobicContact CD1-CG 4.05Å; Y1044-K1048 HydrophobicContact CD2-CG 4.44Å; Y1044-K1048 HydrophobicContact CE1-CB 4.37Å; Y1044-K1048 HydrophobicContact CE1-CG 3.51Å; Y1044-K1048 HydrophobicContact CE2-CD 4.49Å; Y1044-K1048 HydrophobicContact CE2-CG 3.95Å; Y1044-K1048 HydrophobicContact CG-CG 4.49Å; Y1044-K1048 VanDerWaalsContact CZ-CG 3.45Å; Y1044-K1048 WeakPolarHBondContact O-CB 3.39Å; Y1044-K1048 PolarHBondContact O-N 2.99Å; Y1044-K1048 WeakPolarHBondContact OH-CE 3.33Å |
| 1045 | R | 78.4 | Confident | 73.8 | Confident | 161 Ų | 161 | 90.6 Ų | 90.6 | 61% | 0.608 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.8 | -41.5 | 174.8 | -81.8 | -172 | 73.5 | 166.3 | 4.2 | 111.8 | I1041 S1042 H1043 K1049 | I1041-R1045 HydrophobicContact CG2-CG 4.47Å; I1041-R1045 VanDerWaalsContact O-CB 3.27Å; I1041-R1045 WeakPolarHBondContact O-CB 3.27Å; I1041-R1045 VanDerWaalsContact O-CG 3.24Å; I1041-R1045 WeakPolarHBondContact O-CG 3.14Å; I1041-R1045 PolarHBondContact O-N 2.86Å; S1042-R1045 PolarHBondContact O-N 2.88Å; S1042-R1045 VanDerWaalsContact O-N 3.13Å; H1043-R1045 VanDerWaalsContact C-N 3.33Å; H1043-R1045 PolarHBondContact O-N 2.64Å; R1045-K1049 WeakPolarHBondContact O-CB 3.41Å; R1045-K1049 PolarHBondContact O-N 2.89Å |
| 1046 | D | 78.5 | Confident | 73.6 | Confident | 84 Ų | 84 | 86.7 Ų | 86.7 | 45% | 0.449 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.8 | -36.8 | 178.1 | -85.6 | -40 | 0 | 0 | 0 | 112.6 | S1042 H1043 K1049 H1050 | S1042-D1046 PolarHBondContact O-N 3.05Å; H1043-D1046 PolarHBondContact O-N 2.86Å; D1046-K1049 PolarHBondContact O-N 2.84Å; D1046-K1049 WeakPolarHBondContact OD1-CD 3.41Å; D1046-K1049 WeakPolarHBondContact OD1-CE 3.33Å; D1046-K1049 IonicContact OD1-NZ 3.49Å; D1046-K1049 PolarHBondContact OD1-NZ 3.21Å; D1046-H1050 PolarHBondContact O-N 3.04Å |
| 1047 | Q | 80.3 | Confident | 73.5 | Confident | 119 Ų | 119 | 88.4 Ų | 88.4 | 56% | 0.556 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.2 | -48.2 | 173.6 | -168.3 | 178.1 | 19.5 | 0 | 0 | 111.8 | H1043 K1049 H1050 E1051 | H1043-Q1047 WeakPolarHBondContact O-CB 3.19Å; H1043-Q1047 PolarHBondContact O-N 2.71Å; Q1047-K1049 VanDerWaalsContact C-N 3.32Å; Q1047-K1049 PolarHBondContact O-N 2.86Å; Q1047-H1050 WeakPolarHBondContact O-CB 3.38Å; Q1047-H1050 PolarHBondContact O-N 3.29Å; Q1047-H1050 VanDerWaalsContact O-N 3.12Å; Q1047-E1051 PolarHBondContact O-N 3.19Å |
| 1048 | K | 76.7 | Confident | 73.3 | Confident | 54 Ų | 54 | 88.8 Ų | 88.8 | 24% | 0.235 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -70.1 | -26.4 | 174.8 | -70.2 | -51.1 | -171.7 | -170.6 | 0 | 113.4 | E959 Y1044 H1050 E1051 L1052 | E959-K1048 IonicContact OE1-NZ 2.88Å; E959-K1048 WeakPolarHBondContact OE2-CE 3.39Å; E959-K1048 IonicContact OE2-NZ 2.71Å; E959-K1048 PolarHBondContact OE2-NZ 3.22Å; Y1044-K1048 HydrophobicContact CD1-CG 4.05Å; Y1044-K1048 HydrophobicContact CD2-CG 4.44Å; Y1044-K1048 HydrophobicContact CE1-CB 4.37Å; Y1044-K1048 HydrophobicContact CE1-CG 3.51Å; Y1044-K1048 HydrophobicContact CE2-CD 4.49Å; Y1044-K1048 HydrophobicContact CE2-CG 3.95Å; Y1044-K1048 HydrophobicContact CG-CG 4.49Å; Y1044-K1048 VanDerWaalsContact CZ-CG 3.45Å; Y1044-K1048 WeakPolarHBondContact O-CB 3.39Å; Y1044-K1048 PolarHBondContact O-N 2.99Å; Y1044-K1048 WeakPolarHBondContact OH-CE 3.33Å; K1048-H1050 VanDerWaalsContact C-N 3.34Å; K1048-E1051 VanDerWaalsContact CD-CD 3.49Å; K1048-E1051 HydrophobicContact CD-CG 4.41Å; K1048-E1051 WeakPolarHBondContact CD-OE1 3.4Å; K1048-E1051 WeakPolarHBondContact CD-OE2 3.24Å; K1048-E1051 IonicContact NZ-OE1 2.67Å; K1048-E1051 PolarHBondContact NZ-OE1 2.96Å; K1048-E1051 IonicContact NZ-OE2 2.74Å; K1048-E1051 PolarHBondContact NZ-OE2 2.87Å; K1048-L1052 WeakPolarHBondContact O-CB 3.18Å; K1048-L1052 PolarHBondContact O-N 2.84Å |
| 1049 | K | 74.7 | Confident | 73 | Confident | 109 Ų | 109 | 89.4 Ų | 89.4 | 47% | 0.474 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.5 | -36.2 | 168.1 | 168.5 | 179.3 | 143.2 | -154.9 | 0 | 110.9 | R1045 D1046 Q1047 L1052 F1053 | R1045-K1049 WeakPolarHBondContact O-CB 3.41Å; R1045-K1049 PolarHBondContact O-N 2.89Å; D1046-K1049 PolarHBondContact O-N 2.84Å; D1046-K1049 WeakPolarHBondContact OD1-CD 3.41Å; D1046-K1049 WeakPolarHBondContact OD1-CE 3.33Å; D1046-K1049 IonicContact OD1-NZ 3.49Å; D1046-K1049 PolarHBondContact OD1-NZ 3.21Å; Q1047-K1049 VanDerWaalsContact C-N 3.32Å; Q1047-K1049 PolarHBondContact O-N 2.86Å; K1049-L1052 PolarHBondContact O-N 2.79Å; K1049-F1053 HydrophobicContact CD-CE2 4.25Å; K1049-F1053 HydrophobicContact CG-CD2 3.7Å; K1049-F1053 HydrophobicContact CG-CE2 3.58Å; K1049-F1053 WeakPolarHBondContact O-CB 3.3Å; K1049-F1053 WeakPolarHBondContact O-CD2 3.36Å; K1049-F1053 PolarHBondContact O-N 3.14Å |
| 1050 | H | 72 | Confident | 72.4 | Confident | 127 Ų | 127 | 89 Ų | 89 | 59% | 0.588 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67.6 | -49.3 | 172.9 | -146.6 | 80.2 | 0 | 0 | 0 | 111.5 | D1046 Q1047 K1048 L1052 F1053 E1054 | D1046-H1050 PolarHBondContact O-N 3.04Å; Q1047-H1050 WeakPolarHBondContact O-CB 3.38Å; Q1047-H1050 PolarHBondContact O-N 3.29Å; Q1047-H1050 VanDerWaalsContact O-N 3.12Å; K1048-H1050 VanDerWaalsContact C-N 3.34Å; H1050-L1052 VanDerWaalsContact C-N 3.26Å; H1050-L1052 PolarHBondContact O-N 2.71Å; H1050-F1053 PolarHBondContact O-N 3.19Å; H1050-F1053 VanDerWaalsContact O-N 3.13Å; H1050-E1054 PolarHBondContact O-N 2.87Å |
| 1051 | E | 71.2 | Confident | 72.1 | Confident | 56 Ų | 56 | 89 Ų | 89 | 26% | 0.262 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -54.5 | -42.1 | 171.3 | -80.1 | -177.3 | -148.1 | 0 | 0 | 112.1 | Q1047 K1048 R1055 | Q1047-E1051 PolarHBondContact O-N 3.19Å; K1048-E1051 VanDerWaalsContact CD-CD 3.49Å; K1048-E1051 HydrophobicContact CD-CG 4.41Å; K1048-E1051 WeakPolarHBondContact CD-OE1 3.4Å; K1048-E1051 WeakPolarHBondContact CD-OE2 3.24Å; K1048-E1051 IonicContact NZ-OE1 2.67Å; K1048-E1051 PolarHBondContact NZ-OE1 2.96Å; K1048-E1051 IonicContact NZ-OE2 2.74Å; K1048-E1051 PolarHBondContact NZ-OE2 2.87Å; E1051-R1055 WeakPolarHBondContact O-CB 3.35Å; E1051-R1055 VanDerWaalsContact O-CG 3.27Å; E1051-R1055 WeakPolarHBondContact O-CG 3.26Å; E1051-R1055 PolarHBondContact O-N 3.42Å; E1051-R1055 IonicContact OE2-CZ 2.71Å; E1051-R1055 IonicContact OE2-NH2 2.85Å; E1051-R1055 PolarHBondContact OE2-NH2 3.48Å; E1051-R1055 VanDerWaalsContact OE2-NH2 3.13Å |
| 1052 | L | 65.9 | Low | 72 | Confident | 103 Ų | 103 | 89 Ų | 89 | 54% | 0.539 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.1 | -40 | 179.4 | -160.8 | 81.9 | 0 | 0 | 0 | 111.1 | K1048 K1049 H1050 R1055 I1056 | K1048-L1052 WeakPolarHBondContact O-CB 3.18Å; K1048-L1052 PolarHBondContact O-N 2.84Å; K1049-L1052 PolarHBondContact O-N 2.79Å; H1050-L1052 VanDerWaalsContact C-N 3.26Å; H1050-L1052 PolarHBondContact O-N 2.71Å; L1052-R1055 PolarHBondContact O-N 2.8Å; L1052-I1056 HydrophobicContact CD2-CD1 4.1Å; L1052-I1056 HydrophobicContact CG-CD1 3.94Å; L1052-I1056 HydrophobicContact CG-CG1 4.49Å; L1052-I1056 WeakPolarHBondContact O-CB 3.22Å; L1052-I1056 WeakPolarHBondContact O-CG1 3.1Å; L1052-I1056 PolarHBondContact O-N 3.17Å |
| 1053 | F | 64.5 | Low | 72.1 | Confident | 110 Ų | 110 | 87.8 Ų | 87.8 | 48% | 0.482 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 174.3 | -86.9 | -58.1 | 0 | 0 | 0 | 111.8 | K1049 H1050 R1055 I1056 I1057 | K1049-F1053 HydrophobicContact CD-CE2 4.25Å; K1049-F1053 HydrophobicContact CG-CD2 3.7Å; K1049-F1053 HydrophobicContact CG-CE2 3.58Å; K1049-F1053 WeakPolarHBondContact O-CB 3.3Å; K1049-F1053 WeakPolarHBondContact O-CD2 3.36Å; K1049-F1053 PolarHBondContact O-N 3.14Å; H1050-F1053 PolarHBondContact O-N 3.19Å; H1050-F1053 VanDerWaalsContact O-N 3.13Å; F1053-R1055 PolarHBondContact O-N 2.92Å; F1053-I1056 PolarHBondContact O-N 2.96Å; F1053-I1057 VanDerWaalsContact O-CB 3.31Å; F1053-I1057 WeakPolarHBondContact O-CB 3.48Å; F1053-I1057 WeakPolarHBondContact O-CD1 3.37Å; F1053-I1057 WeakPolarHBondContact O-CG1 3.04Å; F1053-I1057 PolarHBondContact O-N 3.44Å |
| 1054 | E | 65.7 | Low | 72.2 | Confident | 112 Ų | 112 | 83.3 Ų | 83.3 | 52% | 0.523 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 173.3 | -72.6 | -163.8 | 132.9 | 0 | 0 | 111.5 | H1050 I1056 I1057 N1058 | H1050-E1054 PolarHBondContact O-N 2.87Å; E1054-I1056 VanDerWaalsContact C-N 3.32Å; E1054-I1056 PolarHBondContact O-N 2.96Å; E1054-I1057 PolarHBondContact O-N 3.35Å; E1054-N1058 VanDerWaalsContact O-CB 3.26Å; E1054-N1058 WeakPolarHBondContact O-CB 3.34Å; E1054-N1058 PolarHBondContact O-N 3.48Å; E1054-N1058 PolarHBondContact O-OD1 3.31Å |
| 1055 | R | 63.1 | Low | 72.2 | Confident | 159 Ų | 159 | 84.8 Ų | 84.8 | 60% | 0.6 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.7 | -34.2 | 175.7 | -72.7 | 178.8 | -163.7 | 174.4 | 12.7 | 113.4 | E1051 L1052 F1053 K1059 | E1051-R1055 WeakPolarHBondContact O-CB 3.35Å; E1051-R1055 VanDerWaalsContact O-CG 3.27Å; E1051-R1055 WeakPolarHBondContact O-CG 3.26Å; E1051-R1055 PolarHBondContact O-N 3.42Å; E1051-R1055 IonicContact OE2-CZ 2.71Å; E1051-R1055 IonicContact OE2-NH2 2.85Å; E1051-R1055 PolarHBondContact OE2-NH2 3.48Å; E1051-R1055 VanDerWaalsContact OE2-NH2 3.13Å; L1052-R1055 PolarHBondContact O-N 2.8Å; F1053-R1055 PolarHBondContact O-N 2.92Å; R1055-K1059 VanDerWaalsContact O-CB 3.26Å; R1055-K1059 WeakPolarHBondContact O-CB 3.34Å; R1055-K1059 PolarHBondContact O-N 3.03Å |
| 1056 | I | 64.7 | Low | 72.5 | Confident | 47 Ų | 47 | 80.9 Ų | 80.9 | 24% | 0.241 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -74.4 | -43.6 | 176.8 | -72.3 | 169.4 | 0 | 0 | 0 | 110.7 | F929 L1052 F1053 E1054 K1059 A1060 | F929-I1056 HydrophobicContact CD2-CG2 4.2Å; F929-I1056 HydrophobicContact CE1-CG2 4.21Å; F929-I1056 HydrophobicContact CE2-CB 4.44Å; F929-I1056 HydrophobicContact CE2-CD1 4Å; F929-I1056 HydrophobicContact CE2-CG1 3.97Å; F929-I1056 HydrophobicContact CE2-CG2 3.63Å; F929-I1056 HydrophobicContact CZ-CD1 4.48Å; F929-I1056 HydrophobicContact CZ-CG2 3.64Å; L1052-I1056 HydrophobicContact CD2-CD1 4.1Å; L1052-I1056 HydrophobicContact CG-CD1 3.94Å; L1052-I1056 HydrophobicContact CG-CG1 4.49Å; L1052-I1056 WeakPolarHBondContact O-CB 3.22Å; L1052-I1056 WeakPolarHBondContact O-CG1 3.1Å; L1052-I1056 PolarHBondContact O-N 3.17Å; F1053-I1056 PolarHBondContact O-N 2.96Å; E1054-I1056 VanDerWaalsContact C-N 3.32Å; E1054-I1056 PolarHBondContact O-N 2.96Å; I1056-K1059 PolarHBondContact O-N 2.89Å; I1056-A1060 WeakPolarHBondContact O-CB 3.41Å; I1056-A1060 PolarHBondContact O-N 2.8Å |
| 1057 | I | 65.7 | Low | 72.8 | Confident | 98 Ų | 98 | 77.5 Ų | 77.5 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.9 | -48.7 | 176.9 | -71.2 | 164.5 | 0 | 0 | 0 | 109.7 | F1053 E1054 K1059 A1060 T1061 | F1053-I1057 VanDerWaalsContact O-CB 3.31Å; F1053-I1057 WeakPolarHBondContact O-CB 3.48Å; F1053-I1057 WeakPolarHBondContact O-CD1 3.37Å; F1053-I1057 WeakPolarHBondContact O-CG1 3.04Å; F1053-I1057 PolarHBondContact O-N 3.44Å; E1054-I1057 PolarHBondContact O-N 3.35Å; I1057-K1059 PolarHBondContact O-N 2.78Å; I1057-A1060 CarbonylContact O-C 3.55Å; I1057-A1060 WeakPolarHBondContact O-CA 3.38Å; I1057-A1060 WeakPolarHBondContact O-CB 3.44Å; I1057-A1060 PolarHBondContact O-N 3.49Å; I1057-T1061 PolarHBondContact O-N 3.46Å; I1057-T1061 PolarHBondContact O-OG1 2.89Å |
| 1058 | N | 65.8 | Low | 72.8 | Confident | 64 Ų | 64 | 73.2 Ų | 73.2 | 34% | 0.342 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.5 | -48.3 | 175.2 | -66.1 | -5.6 | 0 | 0 | 0 | 110 | E1054 A1060 T1061 T1062 | E1054-N1058 VanDerWaalsContact O-CB 3.26Å; E1054-N1058 WeakPolarHBondContact O-CB 3.34Å; E1054-N1058 PolarHBondContact O-N 3.48Å; E1054-N1058 PolarHBondContact O-OD1 3.31Å; N1058-A1060 PolarHBondContact O-N 2.83Å; N1058-T1061 CarbonylContact O-C 3.5Å; N1058-T1061 PolarHBondContact O-N 3.31Å; N1058-T1061 PolarHBondContact O-OG1 2.84Å; N1058-T1062 WeakPolarHBondContact O-CB 3.44Å; N1058-T1062 PolarHBondContact O-N 2.96Å; N1058-T1062 PolarHBondContact O-OG1 2.85Å |
| 1059 | K | 65.8 | Low | 73.3 | Confident | 124 Ų | 124 | 70.9 Ų | 70.9 | 54% | 0.539 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58 | -20.7 | 173.1 | -93.8 | -171 | 166.8 | -173.6 | 0 | 115.4 | R1055 I1056 I1057 | R1055-K1059 VanDerWaalsContact O-CB 3.26Å; R1055-K1059 WeakPolarHBondContact O-CB 3.34Å; R1055-K1059 PolarHBondContact O-N 3.03Å; I1056-K1059 PolarHBondContact O-N 2.89Å; I1057-K1059 PolarHBondContact O-N 2.78Å |
| 1060 | A | 66.5 | Low | 73.8 | Confident | 75 Ų | 75 | 66.2 Ų | 66.2 | 62% | 0.62 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -91.6 | -19.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | I1056 I1057 N1058 | I1056-A1060 WeakPolarHBondContact O-CB 3.41Å; I1056-A1060 PolarHBondContact O-N 2.8Å; I1057-A1060 CarbonylContact O-C 3.55Å; I1057-A1060 WeakPolarHBondContact O-CA 3.38Å; I1057-A1060 WeakPolarHBondContact O-CB 3.44Å; I1057-A1060 PolarHBondContact O-N 3.49Å; N1058-A1060 PolarHBondContact O-N 2.83Å |
| 1061 | T | 72.7 | Confident | 74.6 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 17% | 0.166 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -101.2 | -16.7 | 175.1 | 57 | 0 | 0 | 0 | 0 | 113.5 | I1057 N1058 I1223 S1224 Q1225 | I1057-T1061 PolarHBondContact O-N 3.46Å; I1057-T1061 PolarHBondContact O-OG1 2.89Å; N1058-T1061 CarbonylContact O-C 3.5Å; N1058-T1061 PolarHBondContact O-N 3.31Å; N1058-T1061 PolarHBondContact O-OG1 2.84Å; T1061-I1223 WeakPolarHBondContact CG2-O 3.5Å; T1061-S1224 PolarHBondContact O-OG 3.13Å; T1061-Q1225 PolarHBondContact O-N 2.97Å |
| 1062 | T | 76.4 | Confident | 75.3 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 20% | 0.202 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 128.7 | 170.2 | -51 | 0 | 0 | 0 | 0 | 111.3 | N1058 Q1225 I1227 | N1058-T1062 WeakPolarHBondContact O-CB 3.44Å; N1058-T1062 PolarHBondContact O-N 2.96Å; N1058-T1062 PolarHBondContact O-OG1 2.85Å; T1062-Q1225 CarbonylContact C-O 3.49Å; T1062-Q1225 WeakPolarHBondContact CA-O 3.26Å; T1062-Q1225 PolarHBondContact OG1-OE1 2.9Å; T1062-I1227 HydrophobicContact CG2-CD1 3.49Å; T1062-I1227 VanDerWaalsContact CG2-CD1 3.49Å; T1062-I1227 HydrophobicContact CG2-CG1 3.82Å |
| 1063 | I | 82.3 | Confident | 76.3 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 13% | 0.133 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 122.4 | 169.9 | -52.4 | -174.8 | 0 | 0 | 0 | 108.3 | I918 Q920 Y1079 Q1225 L1226 I1227 | I918-I1063 HydrophobicContact CG2-CG2 4.04Å; Q920-I1063 HydrophobicContact CB-CD1 4.4Å; Q920-I1063 HydrophobicContact CG-CD1 3.65Å; I1063-Y1079 HydrophobicContact CD1-CE2 3.85Å; I1063-Y1079 WeakPolarHBondContact CD1-OH 3.46Å; I1063-Q1225 PolarHBondContact N-O 3.28Å; I1063-L1226 HydrophobicContact CB-CD1 4.46Å; I1063-I1227 PolarHBondContact O-N 3.47Å |
| 1064 | E | 82.3 | Confident | 77.5 | Confident | 55 Ų | 55 | 48.7 Ų | 48.7 | 26% | 0.257 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 129 | 173.4 | -65.5 | 169 | -177.4 | 0 | 0 | 109.3 | F926 K928 | F926-E1064 WeakPolarHBondContact CD2-OE2 3.34Å; K928-E1064 IonicContact NZ-OE1 3.65Å; K928-E1064 PolarHBondContact NZ-OE1 2.92Å; K928-E1064 IonicContact NZ-OE2 2.8Å; K928-E1064 PolarHBondContact NZ-OE2 3.11Å |
| 1065 | H | 83.7 | Confident | 78.6 | Confident | 38 Ų | 38 | 44.2 Ų | 44.2 | 18% | 0.176 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 137.7 | 177.9 | -176.8 | 86.7 | 0 | 0 | 0 | 111.5 | K915 I918 L1226 I1227 L1228 H1229 | K915-H1065 PolarHBondContact O-CE1 3.44Å; I918-H1065 HydrophobicContact CD1-CB 4.13Å; H1065-L1226 HydrophobicContact CB-CD1 4.24Å; H1065-I1227 PolarHBondContact N-O 2.91Å; H1065-L1228 HydrophobicContact CB-CD2 4.29Å; H1065-H1229 PolarHBondContact O-N 2.66Å |
| 1066 | E | 84.1 | Confident | 80 | Confident | 79 Ų | 79 | 36.7 Ų | 36.7 | 37% | 0.369 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 114.6 | -178 | -68.9 | -169.8 | 136.8 | 0 | 0 | 111.3 | R909 K1207 H1229 H1231 | R909-E1066 IonicContact NH2-OE2 3.36Å; E1066-K1207 IonicContact OE1-NZ 3.16Å; E1066-K1207 PolarHBondContact OE1-NZ 2.86Å; E1066-H1229 CarbonylContact C-O 3.59Å; E1066-H1229 WeakPolarHBondContact CA-O 3.45Å; E1066-H1229 HydrophobicContact CG-CB 3.83Å; E1066-H1231 IonicContact OE1-NE2 3.59Å |
| 1067 | L | 84.8 | Confident | 81.2 | Confident | 12 Ų | 12 | 34.5 Ų | 34.5 | 6% | 0.063 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 151.9 | 172.8 | -66.9 | 175.6 | 0 | 0 | 0 | 110.3 | F1077 L1228 H1229 I1230 H1231 | L1067-F1077 HydrophobicContact CD1-CD1 4.09Å; L1067-F1077 HydrophobicContact CD1-CE1 3.68Å; L1067-F1077 HydrophobicContact CD1-CZ 4.44Å; L1067-F1077 HydrophobicContact CD2-CD1 4.1Å; L1067-L1228 HydrophobicContact CD1-CD1 4.33Å; L1067-L1228 HydrophobicContact CD1-CD2 4Å; L1067-L1228 HydrophobicContact CG-CD2 4.36Å; L1067-H1229 PolarHBondContact N-O 3.26Å; L1067-I1230 HydrophobicContact CB-CG1 4.11Å; L1067-I1230 HydrophobicContact CD1-CG1 4.13Å; L1067-H1231 PolarHBondContact O-N 3.13Å |
| 1068 | S | 81.3 | Confident | 82.4 | Confident | 29 Ų | 29 | 30 Ų | 30 | 20% | 0.203 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 123.3 | 176.2 | -73 | 0 | 0 | 0 | 0 | 110.5 | K809 H1231 | K809-S1068 WeakPolarHBondContact CD-OG 3.19Å; K809-S1068 PolarHBondContact NZ-OG 2.74Å; S1068-H1231 WeakPolarHBondContact CA-O 3.39Å |
| 1069 | T | 85.4 | Confident | 83.6 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 173.9 | -172.3 | -169.7 | 0 | 0 | 0 | 0 | 110.6 | C1073 Y1172 E1174 I1230 H1231 Q1233 | T1069-C1073 WeakPolarHBondContact OG1-CB 3.45Å; T1069-C1073 PolarHBondContact OG1-O 3.25Å; T1069-Y1172 HydrophobicContact CG2-CD1 4.1Å; T1069-Y1172 HydrophobicContact CG2-CE1 3.97Å; T1069-E1174 HydrophobicContact CG2-CB 3.91Å; T1069-E1174 HydrophobicContact CG2-CG 4.31Å; T1069-I1230 HydrophobicContact CG2-CG2 4.18Å; T1069-H1231 PolarHBondContact N-O 3.46Å; T1069-Q1233 PolarHBondContact O-N 2.85Å |
| 1070 | S | 85.8 | Confident | 84.8 | Confident | 11 Ų | 11 | 23.7 Ų | 23.7 | 8% | 0.077 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 165.6 | 168.1 | 46.3 | 0 | 0 | 0 | 0 | 109.8 | R738 G1072 C1073 Q1233 | R738-S1070 PolarHBondContact NH2-OG 3.48Å; S1070-G1072 PolarHBondContact O-N 2.91Å; S1070-C1073 WeakPolarHBondContact O-CB 3.38Å; S1070-C1073 PolarHBondContact O-N 3.13Å; S1070-Q1233 WeakPolarHBondContact CA-O 3.22Å; S1070-Q1233 VanDerWaalsContact CB-O 3.26Å; S1070-Q1233 WeakPolarHBondContact CB-O 3.41Å |
| 1071 | F | 89 | Confident | 85.9 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.009 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.5 | 130.6 | -179.2 | 170.8 | -94.4 | 0 | 0 | 0 | 112.7 | C1073 A1175 P1235 L1320 I1335 | F1071-C1073 VanDerWaalsContact C-N 3.28Å; F1071-C1073 PolarHBondContact O-N 2.96Å; F1071-A1175 WeakPolarHBondContact CE2-O 3.45Å; F1071-P1235 HydrophobicContact CB-CB 4.24Å; F1071-P1235 HydrophobicContact CB-CG 4.33Å; F1071-L1320 HydrophobicContact CB-CD1 4.27Å; F1071-L1320 HydrophobicContact CD1-CB 3.79Å; F1071-L1320 HydrophobicContact CD1-CD1 4.02Å; F1071-L1320 HydrophobicContact CD1-CG 4.47Å; F1071-L1320 HydrophobicContact CD2-CB 4.42Å; F1071-L1320 HydrophobicContact CD2-CD1 4.4Å; F1071-L1320 HydrophobicContact CE1-CB 3.44Å; F1071-L1320 VanDerWaalsContact CE1-CB 3.44Å; F1071-L1320 HydrophobicContact CE2-CB 4.13Å; F1071-L1320 HydrophobicContact CG-CB 4.27Å; F1071-L1320 HydrophobicContact CG-CD1 3.95Å; F1071-L1320 HydrophobicContact CZ-CB 3.63Å; F1071-L1320 WeakPolarHBondContact CZ-O 3.28Å; F1071-I1335 HydrophobicContact CD1-CG2 3.98Å; F1071-I1335 HydrophobicContact CE1-CG2 4.23Å; F1071-I1335 WeakPolarHBondContact O-CD1 3.38Å |
| 1072 | G | 85.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -14.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S1070 E1174 R1285 Y1324 | S1070-G1072 PolarHBondContact O-N 2.91Å; G1072-E1174 PolarHBondContact N-O 2.97Å; G1072-R1285 PolarHBondContact O-NH1 3.12Å; G1072-R1285 VanDerWaalsContact O-NH1 3.09Å; G1072-Y1324 WeakPolarHBondContact CA-OH 3.43Å; G1072-Y1324 WeakPolarHBondContact O-CE1 3.39Å; G1072-Y1324 PolarHBondContact O-OH 2.88Å |
| 1073 | C | 87.6 | Confident | 87.1 | Confident | 25 Ų | 25 | 21 Ų | 21 | 17% | 0.169 | 11% | 0.105 | C | C | . | . | P | Polyproline II helix | trans | -80.9 | 129.3 | 175.6 | -58.4 | 0 | 0 | 0 | 0 | 111 | T1069 S1070 F1071 | T1069-C1073 WeakPolarHBondContact OG1-CB 3.45Å; T1069-C1073 PolarHBondContact OG1-O 3.25Å; S1070-C1073 WeakPolarHBondContact O-CB 3.38Å; S1070-C1073 PolarHBondContact O-N 3.13Å; F1071-C1073 VanDerWaalsContact C-N 3.28Å; F1071-C1073 PolarHBondContact O-N 2.96Å |
| 1074 | T | 89.7 | Confident | 87 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 121.5 | 165.8 | -60.9 | 0 | 0 | 0 | 0 | 109.2 | L1114 F1118 K1171 Y1172 E1173 R1285 Q1329 I1330 | T1074-L1114 HydrophobicContact CG2-CD2 4.3Å; T1074-F1118 VanDerWaalsContact O-CZ 3.25Å; T1074-F1118 WeakPolarHBondContact O-CZ 3.4Å; T1074-K1171 HydrophobicContact CG2-CB 3.87Å; T1074-K1171 HydrophobicContact CG2-CD 4.17Å; T1074-K1171 HydrophobicContact CG2-CG 4.48Å; T1074-Y1172 CarbonylContact C-O 3.53Å; T1074-Y1172 VanDerWaalsContact CA-O 3.25Å; T1074-Y1172 WeakPolarHBondContact CA-O 3.11Å; T1074-E1173 HydrophobicContact CG2-CG 4.05Å; T1074-R1285 PolarHBondContact OG1-NH1 2.7Å; T1074-R1285 PolarHBondContact OG1-NH2 3.47Å; T1074-Q1329 PolarHBondContact OG1-O 3.38Å; T1074-I1330 PolarHBondContact N-O 3.13Å |
| 1075 | E | 89.4 | Confident | 86.9 | Confident | 17 Ų | 17 | 23.7 Ų | 23.7 | 8% | 0.079 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 139.4 | 169.6 | -67.7 | -69.7 | 145.9 | 0 | 0 | 109.9 | K914 K1171 Y1172 | K914-E1075 IonicContact NZ-OE1 3.54Å; K914-E1075 PolarHBondContact NZ-OE1 3.29Å; K914-E1075 IonicContact NZ-OE2 2.66Å; K914-E1075 PolarHBondContact NZ-OE2 3.05Å; E1075-K1171 CarbonylContact O-C 3.5Å; E1075-K1171 WeakPolarHBondContact O-CA 3.4Å; E1075-Y1172 PolarHBondContact N-O 2.87Å; E1075-Y1172 PolarHBondContact O-N 3.4Å |
| 1076 | F | 91.2 | Very high | 86.9 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.009 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 141.3 | 179.9 | 171.3 | -101.1 | 0 | 0 | 0 | 111.2 | Y916 E1078 V1105 V1111 L1114 K1115 F1118 I1120 P1169 M1170 | Y916-F1076 WeakPolarHBondContact CD1-O 3.38Å; F1076-E1078 HydrophobicContact CE1-CG 4.14Å; F1076-E1078 HydrophobicContact CZ-CG 3.85Å; F1076-V1105 HydrophobicContact CD2-CG2 4.11Å; F1076-V1105 HydrophobicContact CE2-CG2 4.03Å; F1076-V1111 HydrophobicContact CZ-CG1 4.47Å; F1076-L1114 HydrophobicContact CB-CB 4.13Å; F1076-L1114 HydrophobicContact CB-CD1 4.39Å; F1076-L1114 HydrophobicContact CB-CD2 4.14Å; F1076-L1114 HydrophobicContact CB-CG 4.46Å; F1076-L1114 HydrophobicContact CD1-CB 4.01Å; F1076-L1114 HydrophobicContact CD2-CB 3.97Å; F1076-L1114 HydrophobicContact CD2-CD1 3.68Å; F1076-L1114 HydrophobicContact CD2-CG 4.37Å; F1076-L1114 HydrophobicContact CE1-CB 4.44Å; F1076-L1114 HydrophobicContact CE2-CB 4.39Å; F1076-L1114 HydrophobicContact CE2-CD1 4.25Å; F1076-L1114 HydrophobicContact CG-CB 3.76Å; F1076-L1114 HydrophobicContact CG-CD1 4.17Å; F1076-L1114 HydrophobicContact CG-CG 4.4Å; F1076-K1115 HydrophobicContact CE1-CG 3.86Å; F1076-K1115 HydrophobicContact CZ-CG 4.25Å; F1076-F1118 HydrophobicContact CB-CD2 3.76Å; F1076-F1118 HydrophobicContact CB-CE2 3.75Å; F1076-F1118 HydrophobicContact CD1-CD2 4.45Å; F1076-I1120 HydrophobicContact CD1-CD1 3.52Å; F1076-I1120 HydrophobicContact CE1-CD1 3.63Å; F1076-P1169 HydrophobicContact CE2-CB 3.71Å; F1076-P1169 HydrophobicContact CZ-CB 3.96Å; F1076-M1170 WeakPolarHBondContact CD2-O 3.46Å |
| 1077 | F | 91.2 | Very high | 86.9 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 157.7 | 176.6 | 60.1 | -87 | 0 | 0 | 0 | 111 | Y916 I918 L1067 L1102 M1170 L1226 L1228 | Y916-F1077 CarbonylContact O-C 3.57Å; Y916-F1077 VanDerWaalsContact O-CA 3.23Å; Y916-F1077 WeakPolarHBondContact O-CA 3.35Å; Y916-F1077 WeakPolarHBondContact O-CB 3.25Å; I918-F1077 HydrophobicContact CD1-CB 4.36Å; I918-F1077 HydrophobicContact CD1-CD2 3.45Å; I918-F1077 VanDerWaalsContact CD1-CD2 3.45Å; I918-F1077 HydrophobicContact CD1-CE2 3.96Å; I918-F1077 HydrophobicContact CD1-CG 4.05Å; I918-F1077 HydrophobicContact CG1-CD2 4.31Å; L1067-F1077 HydrophobicContact CD1-CD1 4.09Å; L1067-F1077 HydrophobicContact CD1-CE1 3.68Å; L1067-F1077 HydrophobicContact CD1-CZ 4.44Å; L1067-F1077 HydrophobicContact CD2-CD1 4.1Å; F1077-L1102 HydrophobicContact CE1-CD1 4.12Å; F1077-L1102 HydrophobicContact CZ-CD1 3.97Å; F1077-M1170 HydrophobicContact CD2-CB 4.2Å; F1077-M1170 HydrophobicContact CE1-CB 4.12Å; F1077-M1170 HydrophobicContact CE2-CB 3.62Å; F1077-M1170 HydrophobicContact CE2-CG 4.09Å; F1077-M1170 HydrophobicContact CE2-SD 3.91Å; F1077-M1170 HydrophobicContact CZ-CB 3.57Å; F1077-M1170 HydrophobicContact CZ-CG 4.37Å; F1077-M1170 HydrophobicContact CZ-SD 4.18Å; F1077-M1170 PolarHBondContact N-O 2.84Å; F1077-M1170 PolarHBondContact O-N 3.37Å; F1077-L1226 HydrophobicContact CE2-CD2 4.01Å; F1077-L1228 HydrophobicContact CE1-CD1 4.28Å; F1077-L1228 HydrophobicContact CE2-CD1 4.44Å; F1077-L1228 HydrophobicContact CE2-CD2 4.35Å; F1077-L1228 HydrophobicContact CZ-CD1 3.61Å; F1077-L1228 HydrophobicContact CZ-CD2 4.06Å; F1077-L1228 HydrophobicContact CZ-CG 4.49Å |
| 1078 | E | 90.4 | Very high | 86.9 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123.7 | 174.5 | -69.3 | -173.7 | 129.6 | 0 | 0 | 110.3 | Y916 L917 I918 F1076 K1115 T1122 L1167 I1168 | Y916-E1078 PolarHBondContact O-N 3.37Å; L917-E1078 HydrophobicContact CD1-CB 4.19Å; I918-E1078 PolarHBondContact N-O 3.3Å; F1076-E1078 HydrophobicContact CE1-CG 4.14Å; F1076-E1078 HydrophobicContact CZ-CG 3.85Å; E1078-K1115 WeakPolarHBondContact OE1-CE 3.48Å; E1078-K1115 IonicContact OE1-NZ 2.83Å; E1078-K1115 PolarHBondContact OE1-NZ 2.59Å; E1078-K1115 IonicContact OE2-NZ 3.74Å; E1078-T1122 VanDerWaalsContact CD-OG1 3.26Å; E1078-T1122 PolarHBondContact OE1-OG1 3.47Å; E1078-T1122 VanDerWaalsContact OE2-CB 3.24Å; E1078-T1122 WeakPolarHBondContact OE2-CB 2.97Å; E1078-T1122 WeakPolarHBondContact OE2-CG2 3.27Å; E1078-T1122 PolarHBondContact OE2-OG1 2.82Å; E1078-L1167 HydrophobicContact CB-CB 4.36Å; E1078-I1168 WeakPolarHBondContact CA-O 3.34Å |
| 1079 | Y | 90.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 120.3 | 175.8 | -175.3 | -102.2 | 0 | 0 | 0 | 110.8 | I918 I1063 L1081 I1168 F1214 S1224 L1226 | I918-Y1079 HydrophobicContact CB-CD2 4.07Å; I918-Y1079 HydrophobicContact CG2-CD2 3.88Å; I918-Y1079 HydrophobicContact CG2-CE2 4.14Å; I1063-Y1079 HydrophobicContact CD1-CE2 3.85Å; I1063-Y1079 WeakPolarHBondContact CD1-OH 3.46Å; Y1079-L1081 HydrophobicContact CD1-CB 4.23Å; Y1079-L1081 HydrophobicContact CE1-CB 4.27Å; Y1079-L1081 HydrophobicContact CE1-CD1 4.31Å; Y1079-L1081 PolarHBondContact O-N 2.89Å; Y1079-I1168 PolarHBondContact N-O 2.84Å; Y1079-I1168 PolarHBondContact O-N 3.34Å; Y1079-F1214 HydrophobicContact CD1-CE1 4.42Å; Y1079-F1214 AromaticContact CD1-CE2 3.71Å; Y1079-F1214 HydrophobicContact CD1-CE2 3.71Å; Y1079-F1214 AromaticContact CD1-CZ 3.62Å; Y1079-F1214 HydrophobicContact CD1-CZ 3.62Å; Y1079-F1214 AromaticContact CE1-CD2 3.92Å; Y1079-F1214 HydrophobicContact CE1-CD2 3.92Å; Y1079-F1214 AromaticContact CE1-CE2 3.38Å; Y1079-F1214 HydrophobicContact CE1-CE2 3.38Å; Y1079-F1214 AromaticContact CE1-CZ 3.79Å; Y1079-F1214 HydrophobicContact CE1-CZ 3.79Å; Y1079-F1214 HydrophobicContact CG-CZ 4.42Å; Y1079-F1214 AromaticContact CZ-CE2 3.99Å; Y1079-S1224 WeakPolarHBondContact OH-CB 3.32Å; Y1079-S1224 PolarHBondContact OH-OG 2.72Å; Y1079-L1226 HydrophobicContact CD2-CB 4.28Å; Y1079-L1226 HydrophobicContact CD2-CD1 4.04Å; Y1079-L1226 HydrophobicContact CD2-CD2 3.67Å; Y1079-L1226 HydrophobicContact CD2-CG 4.21Å; Y1079-L1226 HydrophobicContact CE2-CB 3.8Å; Y1079-L1226 HydrophobicContact CE2-CD1 3.85Å; Y1079-L1226 HydrophobicContact CE2-CD2 4.06Å; Y1079-L1226 HydrophobicContact CE2-CG 4.1Å; Y1079-L1226 HydrophobicContact CG-CD2 4.2Å |
| 1080 | Q | 90.2 | Very high | 87.2 | Confident | 55 Ų | 55 | 34.4 Ų | 34.4 | 26% | 0.257 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 96.2 | 177.4 | -176.3 | 172.8 | 78.6 | 0 | 0 | 110.8 | I918 T1165 V1166 L1167 | I918-Q1080 WeakPolarHBondContact O-CB 3.11Å; I918-Q1080 PolarHBondContact O-N 3.36Å; Q1080-T1165 HydrophobicContact CG-CG2 3.4Å; Q1080-V1166 WeakPolarHBondContact CA-O 3.33Å; Q1080-L1167 HydrophobicContact CB-CD2 3.89Å; Q1080-L1167 HydrophobicContact CG-CD2 4.09Å |
| 1081 | L | 89.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129.1 | 171.6 | -177.2 | 65.6 | 0 | 0 | 0 | 109.8 | Y1079 V1091 L1160 T1165 V1166 I1168 F1214 I1223 | Y1079-L1081 HydrophobicContact CD1-CB 4.23Å; Y1079-L1081 HydrophobicContact CE1-CB 4.27Å; Y1079-L1081 HydrophobicContact CE1-CD1 4.31Å; Y1079-L1081 PolarHBondContact O-N 2.89Å; L1081-V1091 HydrophobicContact CD2-CG1 4.39Å; L1081-L1160 HydrophobicContact CD2-CD1 3.92Å; L1081-L1160 HydrophobicContact CG-CD1 4.19Å; L1081-T1165 CarbonylContact O-C 3.56Å; L1081-T1165 WeakPolarHBondContact O-CA 3.4Å; L1081-V1166 PolarHBondContact N-O 2.95Å; L1081-V1166 PolarHBondContact O-N 3.03Å; L1081-I1168 HydrophobicContact CB-CD1 3.72Å; L1081-I1168 HydrophobicContact CB-CG1 4.35Å; L1081-I1168 HydrophobicContact CD2-CD1 3.7Å; L1081-I1168 HydrophobicContact CG-CD1 4.35Å; L1081-F1214 HydrophobicContact CD1-CB 4.16Å; L1081-F1214 HydrophobicContact CD1-CD1 4.37Å; L1081-F1214 HydrophobicContact CD1-CG 4.11Å; L1081-F1214 HydrophobicContact CD2-CB 4.48Å; L1081-F1214 HydrophobicContact CD2-CD1 3.77Å; L1081-F1214 HydrophobicContact CD2-CE1 4.35Å; L1081-F1214 HydrophobicContact CD2-CG 4.28Å; L1081-I1223 HydrophobicContact CD1-CG2 4.12Å |
| 1082 | K | 87.4 | Confident | 87.3 | Confident | 78 Ų | 78 | 35.6 Ų | 35.6 | 34% | 0.339 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 138.5 | 171.5 | 175.6 | 173.8 | -176 | -158.3 | 0 | 110.7 | P1084 N1163 E1164 T1165 | K1082-P1084 WeakPolarHBondContact O-CD 3.47Å; K1082-N1163 WeakPolarHBondContact CE-O 2.99Å; K1082-E1164 WeakPolarHBondContact CA-O 3.42Å; K1082-T1165 HydrophobicContact CB-CG2 4.18Å; K1082-T1165 WeakPolarHBondContact CG-OG1 3.41Å |
| 1083 | N | 88 | Confident | 87.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -70.2 | 116.6 | 163.3 | -175.9 | -1.6 | 0 | 0 | 0 | 110.1 | F1085 I1087 L1160 K1161 N1163 E1164 | N1083-F1085 VanDerWaalsContact C-N 3.27Å; N1083-F1085 WeakPolarHBondContact OD1-CA 3.2Å; N1083-F1085 WeakPolarHBondContact OD1-CB 3.46Å; N1083-F1085 WeakPolarHBondContact OD1-CD2 3.43Å; N1083-F1085 PolarHBondContact OD1-N 2.84Å; N1083-F1085 PolarHBondContact OD1-O 2.98Å; N1083-I1087 PolarHBondContact ND2-O 2.81Å; N1083-L1160 HydrophobicContact CB-CB 3.87Å; N1083-L1160 HydrophobicContact CB-CD1 4.03Å; N1083-L1160 PolarHBondContact ND2-O 3.05Å; N1083-K1161 PolarHBondContact ND2-O 3.29Å; N1083-N1163 WeakPolarHBondContact O-CA 2.92Å; N1083-E1164 PolarHBondContact N-O 3.19Å | ||
| 1084 | P | 80.9 | Confident | 87.3 | Confident | 74 Ų | 74 | 37.1 Ų | 37.1 | 48% | 0.481 | 19% | 0.19 | S | C | . | . | trans | -80.1 | -10 | 178.2 | 34.9 | -36.4 | 0 | 0 | 0 | 112.7 | K1082 I1223 | K1082-P1084 WeakPolarHBondContact O-CD 3.47Å; P1084-I1223 HydrophobicContact CG-CG2 4.07Å | ||
| 1085 | F | 79.8 | Confident | 87.1 | Confident | 64 Ų | 64 | 37.4 Ų | 37.4 | 28% | 0.281 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -96.6 | 149.4 | -176.7 | -50.1 | -62 | 0 | 0 | 0 | 111.7 | N1083 I1087 D1089 N1163 Y1219 I1223 | N1083-F1085 VanDerWaalsContact C-N 3.27Å; N1083-F1085 WeakPolarHBondContact OD1-CA 3.2Å; N1083-F1085 WeakPolarHBondContact OD1-CB 3.46Å; N1083-F1085 WeakPolarHBondContact OD1-CD2 3.43Å; N1083-F1085 PolarHBondContact OD1-N 2.84Å; N1083-F1085 PolarHBondContact OD1-O 2.98Å; F1085-I1087 PolarHBondContact O-N 3.09Å; F1085-D1089 HydrophobicContact CD2-CB 4.49Å; F1085-N1163 PolarHBondContact O-N 2.99Å; F1085-Y1219 HydrophobicContact CD1-CE2 4.47Å; F1085-Y1219 AromaticContact CD2-CD2 3.93Å; F1085-Y1219 HydrophobicContact CD2-CD2 3.93Å; F1085-Y1219 AromaticContact CD2-CE2 3.75Å; F1085-Y1219 HydrophobicContact CD2-CE2 3.75Å; F1085-Y1219 AromaticContact CE2-CD2 3.63Å; F1085-Y1219 HydrophobicContact CE2-CD2 3.63Å; F1085-Y1219 AromaticContact CE2-CE2 3.95Å; F1085-Y1219 HydrophobicContact CE2-CE2 3.95Å; F1085-Y1219 HydrophobicContact CG-CD2 4.5Å; F1085-Y1219 HydrophobicContact CG-CE2 4.03Å; F1085-Y1219 AromaticContact CZ-CD2 3.96Å; F1085-Y1219 HydrophobicContact CZ-CD2 3.96Å; F1085-Y1219 HydrophobicContact CZ-CE2 4.41Å; F1085-I1223 HydrophobicContact CE2-CD1 4.5Å; F1085-I1223 HydrophobicContact CE2-CG1 4.33Å |
| 1086 | N | 82.9 | Confident | 87 | Confident | 126 Ų | 126 | 41 Ų | 41 | 67% | 0.674 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -87.9 | 30.4 | 173.2 | -162.1 | 67.5 | 0 | 0 | 0 | 111.9 | N1163 | N1086-N1163 PolarHBondContact OD1-ND2 3.27Š|
| 1087 | I | 84 | Confident | 86.5 | Confident | 92 Ų | 92 | 41.8 Ų | 41.8 | 47% | 0.472 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -140.6 | 149.7 | -177.3 | -54.8 | 178.4 | 0 | 0 | 0 | 106.1 | N1083 F1085 | N1083-I1087 PolarHBondContact ND2-O 2.81Å; F1085-I1087 PolarHBondContact O-N 3.09Å |
| 1088 | E | 86.3 | Confident | 85.8 | Confident | 122 Ų | 122 | 49.9 Ų | 49.9 | 57% | 0.57 | 26% | 0.256 | S | S | * | . | trans | -60 | 137.2 | 170.3 | 61.1 | -167 | 174.8 | 0 | 0 | 110.9 | F1159 L1160 | E1088-F1159 HydrophobicContact CB-CE2 4.01Å; E1088-F1159 HydrophobicContact CB-CZ 3.79Å; E1088-F1159 HydrophobicContact CG-CE2 4.47Å; E1088-F1159 HydrophobicContact CG-CZ 4.47Å; E1088-L1160 WeakPolarHBondContact CA-O 3.17Å | ||
| 1089 | D | 85.7 | Confident | 85.1 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 151.7 | 178.2 | -162.3 | 10.3 | 0 | 0 | 0 | 110.8 | F1085 L1160 S1216 T1218 | F1085-D1089 HydrophobicContact CD2-CB 4.49Å; D1089-L1160 PolarHBondContact N-O 2.87Å; D1089-L1160 PolarHBondContact O-N 3.47Å; D1089-S1216 PolarHBondContact OD1-OG 3.04Å; D1089-S1216 WeakPolarHBondContact OD2-CB 3.46Å; D1089-S1216 PolarHBondContact OD2-OG 3.38Å; D1089-T1218 WeakPolarHBondContact OD1-CB 2.97Å; D1089-T1218 PolarHBondContact OD1-OG1 2.83Å |
| 1090 | T | 87.4 | Confident | 84.6 | Confident | 46 Ų | 46 | 55 Ų | 55 | 28% | 0.282 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.9 | 178.4 | -64.8 | 0 | 0 | 0 | 0 | 107.9 | I1157 L1158 T1217 | T1090-I1157 HydrophobicContact CG2-CB 4.47Å; T1090-I1157 HydrophobicContact CG2-CG2 3.4Å; T1090-L1158 WeakPolarHBondContact CA-O 3.42Å; T1090-T1217 WeakPolarHBondContact CB-OG1 3.2Å; T1090-T1217 HydrophobicContact CG2-CG2 4.41Å; T1090-T1217 PolarHBondContact O-N 3.18Å; T1090-T1217 PolarHBondContact O-OG1 2.96Å; T1090-T1217 VanDerWaalsContact O-OG1 3.05Å |
| 1091 | V | 87.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 113.1 | -167.7 | -170.8 | 0 | 0 | 0 | 0 | 109.1 | L1081 I1157 L1158 L1160 F1214 K1215 I1223 | L1081-V1091 HydrophobicContact CD2-CG1 4.39Å; V1091-I1157 WeakPolarHBondContact O-CA 3.2Å; V1091-I1157 WeakPolarHBondContact O-CG2 3.48Å; V1091-L1158 PolarHBondContact N-O 3.14Å; V1091-L1158 PolarHBondContact O-N 3.37Å; V1091-L1160 HydrophobicContact CG2-CD1 3.73Å; V1091-L1160 HydrophobicContact CG2-CG 4.21Å; V1091-F1214 HydrophobicContact CG1-CB 3.95Å; V1091-K1215 WeakPolarHBondContact CA-O 3.46Å; V1091-I1223 HydrophobicContact CB-CD1 4.44Å; V1091-I1223 HydrophobicContact CG1-CD1 4.12Å; V1091-I1223 HydrophobicContact CG2-CD1 3.52Å |
| 1092 | N | 87.6 | Confident | 84.4 | Confident | 39 Ų | 39 | 52.7 Ų | 52.7 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 139.6 | 169.6 | -169.5 | -5.7 | 0 | 0 | 0 | 108.9 | V1156 I1157 K1215 T1217 | N1092-V1156 PolarHBondContact OD1-O 3.18Å; N1092-I1157 HydrophobicContact CB-CG2 4.44Å; N1092-K1215 PolarHBondContact N-O 2.72Å; N1092-K1215 PolarHBondContact O-N 2.87Å; N1092-T1217 HydrophobicContact CB-CG2 3.91Å |
| 1093 | V | 87.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125.2 | -177.1 | -160.8 | 0 | 0 | 0 | 0 | 110.7 | F1104 V1156 L1158 V1212 I1213 F1214 | V1093-F1104 HydrophobicContact CB-CZ 3.96Å; V1093-F1104 HydrophobicContact CG1-CE1 4.28Å; V1093-F1104 HydrophobicContact CG1-CZ 3.63Å; V1093-V1156 PolarHBondContact N-O 3.43Å; V1093-L1158 HydrophobicContact CG2-CD1 3.56Å; V1093-V1212 HydrophobicContact CG1-CG1 3.64Å; V1093-I1213 WeakPolarHBondContact CA-O 3.13Å; V1093-F1214 HydrophobicContact CB-CD1 4.25Å; V1093-F1214 HydrophobicContact CB-CE1 4.38Å; V1093-F1214 HydrophobicContact CG1-CD1 3.58Å; V1093-F1214 HydrophobicContact CG1-CE1 3.47Å; V1093-F1214 VanDerWaalsContact CG1-CE1 3.47Å; V1093-F1214 HydrophobicContact CG1-CG 4.27Å; V1093-F1214 HydrophobicContact CG1-CZ 4.1Å; V1093-F1214 HydrophobicContact CG2-CD1 3.63Å; V1093-F1214 HydrophobicContact CG2-CE1 3.92Å |
| 1094 | N | 85.5 | Confident | 84.4 | Confident | 56 Ų | 56 | 50.5 Ų | 50.5 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 134.9 | 176.3 | -172.3 | 57.8 | 0 | 0 | 0 | 110.1 | N1154 V1212 I1213 | N1094-N1154 PolarHBondContact OD1-ND2 3.15Å; N1094-V1212 WeakPolarHBondContact O-CA 3.27Å; N1094-I1213 PolarHBondContact N-O 3.18Å; N1094-I1213 PolarHBondContact O-N 2.78Å |
| 1095 | I | 87 | Confident | 84.6 | Confident | 9 Ų | 9 | 47.1 Ų | 47.1 | 5% | 0.046 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.3 | 170.9 | -59.8 | 177.9 | 0 | 0 | 0 | 109.2 | D1097 L1102 F1104 N1154 M1170 I1210 V1212 | I1095-D1097 HydrophobicContact CG2-CB 3.81Å; I1095-L1102 HydrophobicContact CD1-CD2 4.26Å; I1095-L1102 HydrophobicContact CD1-CG 4.47Å; I1095-L1102 HydrophobicContact CG2-CB 4.33Å; I1095-L1102 HydrophobicContact CG2-CD2 4.04Å; I1095-F1104 HydrophobicContact CD1-CD2 4.25Å; I1095-F1104 HydrophobicContact CD1-CE2 3.62Å; I1095-F1104 HydrophobicContact CD1-CZ 3.77Å; I1095-F1104 HydrophobicContact CG1-CE2 4.17Å; I1095-F1104 HydrophobicContact CG1-CZ 4.08Å; I1095-N1154 PolarHBondContact N-OD1 3.48Å; I1095-N1154 PolarHBondContact O-ND2 3.41Å; I1095-N1154 PolarHBondContact O-OD1 3.12Å; I1095-M1170 HydrophobicContact CD1-CE 4.06Å; I1095-I1210 HydrophobicContact CG2-CG2 4.1Å; I1095-V1212 HydrophobicContact CG1-CG1 4.25Å; I1095-V1212 HydrophobicContact CG1-CG2 4.37Å |
| 1096 | E | 86.3 | Confident | 84.7 | Confident | 92 Ų | 92 | 48.7 Ų | 48.7 | 43% | 0.43 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 87.3 | 174.4 | -63.7 | 177.3 | -177.3 | 0 | 0 | 109 | I1210 Q1211 I1213 | E1096-I1210 WeakPolarHBondContact O-CG2 3.49Å; E1096-Q1211 HydrophobicContact CB-CB 4.25Å; E1096-Q1211 PolarHBondContact N-O 2.95Å; E1096-Q1211 PolarHBondContact O-N 2.92Å; E1096-I1213 WeakPolarHBondContact OE1-CD1 3.36Å |
| 1097 | D | 81.9 | Confident | 84.7 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 10% | 0.096 | 24% | 0.235 | C | C | . | . | trans | -144.7 | 98.7 | -178.1 | 175.8 | 12.7 | 0 | 0 | 0 | 111.3 | I1095 S1099 N1100 S1101 L1102 I1210 | I1095-D1097 HydrophobicContact CG2-CB 3.81Å; D1097-S1099 PolarHBondContact O-N 3.29Å; D1097-S1099 WeakPolarHBondContact OD1-CA 3.47Å; D1097-S1099 WeakPolarHBondContact OD1-CB 3.28Å; D1097-S1099 PolarHBondContact OD1-N 2.81Å; D1097-S1099 PolarHBondContact OD1-OG 2.8Å; D1097-N1100 PolarHBondContact O-N 2.85Å; D1097-N1100 PolarHBondContact OD1-N 3.22Å; D1097-N1100 PolarHBondContact OD2-N 2.83Å; D1097-S1101 PolarHBondContact OD2-N 2.66Å; D1097-L1102 PolarHBondContact OD2-N 2.72Å; D1097-I1210 HydrophobicContact CB-CD1 3.75Å; D1097-I1210 HydrophobicContact CB-CG1 3.92Å; D1097-I1210 HydrophobicContact CB-CG2 4.07Å; D1097-I1210 WeakPolarHBondContact OD2-CD1 3.33Å | ||
| 1098 | D | 76.5 | Confident | 84.7 | Confident | 171 Ų | 171 | 41.7 Ų | 41.7 | 91% | 0.914 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -33.1 | 176.6 | -57.3 | -38.9 | 0 | 0 | 0 | 112.7 | ||
| 1099 | S | 74.5 | Confident | 84.6 | Confident | 41 Ų | 41 | 43.8 Ų | 43.8 | 29% | 0.287 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -12.9 | -177.4 | 24 | 0 | 0 | 0 | 0 | 114.2 | D1097 S1101 R1208 | D1097-S1099 PolarHBondContact O-N 3.29Å; D1097-S1099 WeakPolarHBondContact OD1-CA 3.47Å; D1097-S1099 WeakPolarHBondContact OD1-CB 3.28Å; D1097-S1099 PolarHBondContact OD1-N 2.81Å; D1097-S1099 PolarHBondContact OD1-OG 2.8Å; S1099-S1101 PolarHBondContact O-N 3.41Å; S1099-R1208 PolarHBondContact OG-NE 3.12Å |
| 1100 | N | 79.7 | Confident | 84.6 | Confident | 71 Ų | 71 | 45.1 Ų | 45.1 | 38% | 0.38 | 23% | 0.231 | S | C | . | . | trans | 53.4 | 34.3 | -176.3 | -83.5 | -83.2 | 0 | 0 | 0 | 113.5 | D1097 R1153 | D1097-N1100 PolarHBondContact O-N 2.85Å; D1097-N1100 PolarHBondContact OD1-N 3.22Å; D1097-N1100 PolarHBondContact OD2-N 2.83Å; N1100-R1153 PolarHBondContact O-NH2 2.89Å; N1100-R1153 WeakPolarHBondContact OD1-CD 3.35Å; N1100-R1153 PolarHBondContact OD1-NH1 3.01Å | ||
| 1101 | S | 86.1 | Confident | 84.6 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | trans | -88.8 | -27.1 | 178.2 | -82.5 | 0 | 0 | 0 | 0 | 113.5 | D1097 S1099 E1173 | D1097-S1101 PolarHBondContact OD2-N 2.66Å; S1099-S1101 PolarHBondContact O-N 3.41Å; S1101-E1173 WeakPolarHBondContact CB-O 3.34Å; S1101-E1173 PolarHBondContact O-N 3.28Å; S1101-E1173 PolarHBondContact OG-O 2.99Å | ||
| 1102 | L | 89.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 142.1 | 175.1 | -165 | 72 | 0 | 0 | 0 | 111.3 | F1077 I1095 D1097 R1153 M1170 K1171 Y1172 I1210 V1212 L1228 | F1077-L1102 HydrophobicContact CE1-CD1 4.12Å; F1077-L1102 HydrophobicContact CZ-CD1 3.97Å; I1095-L1102 HydrophobicContact CD1-CD2 4.26Å; I1095-L1102 HydrophobicContact CD1-CG 4.47Å; I1095-L1102 HydrophobicContact CG2-CB 4.33Å; I1095-L1102 HydrophobicContact CG2-CD2 4.04Å; D1097-L1102 PolarHBondContact OD2-N 2.72Å; L1102-R1153 VanDerWaalsContact O-CZ 3.3Å; L1102-R1153 PolarHBondContact O-NE 2.89Å; L1102-R1153 PolarHBondContact O-NH2 2.94Å; L1102-M1170 HydrophobicContact CD1-CE 4.39Å; L1102-M1170 HydrophobicContact CD2-CE 3.58Å; L1102-M1170 HydrophobicContact CG-CE 3.91Å; L1102-K1171 WeakPolarHBondContact CD1-O 3.38Å; L1102-Y1172 HydrophobicContact CB-CD2 4.16Å; L1102-Y1172 HydrophobicContact CD1-CD2 4Å; L1102-I1210 HydrophobicContact CB-CD1 4.19Å; L1102-I1210 HydrophobicContact CD2-CG2 3.78Å; L1102-V1212 HydrophobicContact CD2-CG2 3.59Å; L1102-L1228 HydrophobicContact CD1-CD1 3.85Å; L1102-L1228 HydrophobicContact CD2-CD1 3.67Å; L1102-L1228 HydrophobicContact CG-CD1 4.46Å |
| 1103 | S | 88.3 | Confident | 84.3 | Confident | 17 Ų | 17 | 46.2 Ų | 46.2 | 12% | 0.119 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 157.1 | 173.2 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | M1170 K1171 | S1103-M1170 WeakPolarHBondContact O-CA 3.29Å; S1103-K1171 PolarHBondContact N-O 2.98Å; S1103-K1171 PolarHBondContact O-N 3.08Å; S1103-K1171 VanDerWaalsContact OG-CE 3.29Å; S1103-K1171 WeakPolarHBondContact OG-CE 3.37Å; S1103-K1171 VanDerWaalsContact OG-CG 3.28Å; S1103-K1171 WeakPolarHBondContact OG-CG 3.38Å |
| 1104 | F | 87.7 | Confident | 84.3 | Confident | 15 Ų | 15 | 46.2 Ų | 46.2 | 7% | 0.066 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 140.1 | 167.5 | -56.1 | -72.3 | 0 | 0 | 0 | 110.1 | V1093 I1095 M1106 F1129 V1156 I1168 M1170 | V1093-F1104 HydrophobicContact CB-CZ 3.96Å; V1093-F1104 HydrophobicContact CG1-CE1 4.28Å; V1093-F1104 HydrophobicContact CG1-CZ 3.63Å; I1095-F1104 HydrophobicContact CD1-CD2 4.25Å; I1095-F1104 HydrophobicContact CD1-CE2 3.62Å; I1095-F1104 HydrophobicContact CD1-CZ 3.77Å; I1095-F1104 HydrophobicContact CG1-CE2 4.17Å; I1095-F1104 HydrophobicContact CG1-CZ 4.08Å; F1104-M1106 PolarHBondContact O-N 3.41Å; F1104-F1129 HydrophobicContact CB-CE1 4.17Å; F1104-F1129 HydrophobicContact CB-CE2 4.17Å; F1104-F1129 HydrophobicContact CB-CZ 3.83Å; F1104-F1129 AromaticContact CD1-CE1 3.77Å; F1104-F1129 HydrophobicContact CD1-CE1 3.77Å; F1104-F1129 AromaticContact CD1-CZ 3.87Å; F1104-F1129 HydrophobicContact CD1-CZ 3.87Å; F1104-F1129 HydrophobicContact CE1-CE1 4.41Å; F1104-F1129 HydrophobicContact CG-CE1 4.01Å; F1104-F1129 HydrophobicContact CG-CZ 4.1Å; F1104-V1156 HydrophobicContact CD2-CB 4.37Å; F1104-V1156 HydrophobicContact CD2-CG1 4.23Å; F1104-V1156 HydrophobicContact CD2-CG2 3.96Å; F1104-V1156 HydrophobicContact CE2-CB 4.12Å; F1104-V1156 HydrophobicContact CE2-CG1 4.24Å; F1104-V1156 HydrophobicContact CE2-CG2 4.03Å; F1104-I1168 HydrophobicContact CD1-CG2 3.89Å; F1104-I1168 HydrophobicContact CE1-CG2 3.97Å; F1104-M1170 HydrophobicContact CD1-CE 3.92Å; F1104-M1170 HydrophobicContact CD1-CG 4.1Å; F1104-M1170 HydrophobicContact CD1-SD 4.43Å; F1104-M1170 HydrophobicContact CE1-CE 3.54Å; F1104-M1170 HydrophobicContact CE1-CG 4.34Å; F1104-M1170 HydrophobicContact CE1-SD 4.08Å; F1104-M1170 HydrophobicContact CZ-CE 4.11Å |
| 1105 | V | 85.6 | Confident | 84.5 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | trans | -88.7 | 101.2 | 178.2 | -169.8 | 0 | 0 | 0 | 0 | 109.1 | F1076 E1110 V1111 L1114 P1169 K1171 | F1076-V1105 HydrophobicContact CD2-CG2 4.11Å; F1076-V1105 HydrophobicContact CE2-CG2 4.03Å; V1105-E1110 HydrophobicContact CG1-CB 3.76Å; V1105-E1110 HydrophobicContact CG1-CG 3.61Å; V1105-V1111 HydrophobicContact CB-CG2 3.85Å; V1105-V1111 HydrophobicContact CG1-CB 4.36Å; V1105-V1111 HydrophobicContact CG1-CG2 3.46Å; V1105-V1111 VanDerWaalsContact CG1-CG2 3.46Å; V1105-L1114 HydrophobicContact CG1-CD1 4.07Å; V1105-L1114 HydrophobicContact CG2-CD1 3.85Å; V1105-P1169 HydrophobicContact CB-CB 4.21Å; V1105-P1169 PolarHBondContact N-O 2.98Å; V1105-K1171 HydrophobicContact CG2-CB 3.83Å; V1105-K1171 HydrophobicContact CG2-CD 4.25Å; V1105-K1171 HydrophobicContact CG2-CG 3.91Å | ||
| 1106 | M | 82.4 | Confident | 84.4 | Confident | 98 Ų | 98 | 48 Ų | 48 | 48% | 0.483 | 24% | 0.237 | S | C | . | . | trans | -87.2 | -28 | -173.8 | -61.2 | -71.9 | -61 | 0 | 0 | 113.7 | F1104 P1108 F1129 | F1104-M1106 PolarHBondContact O-N 3.41Å; M1106-P1108 WeakPolarHBondContact O-CD 3.17Å; M1106-F1129 HydrophobicContact CE-CB 3.69Å; M1106-F1129 HydrophobicContact CE-CD2 4.4Å; M1106-F1129 HydrophobicContact CE-CG 4.44Å; M1106-F1129 HydrophobicContact SD-CB 3.63Å; M1106-F1129 HydrophobicContact SD-CD2 3.52Å; M1106-F1129 VanDerWaalsContact SD-CD2 3.52Å; M1106-F1129 HydrophobicContact SD-CE2 4.29Å; M1106-F1129 HydrophobicContact SD-CG 3.76Å | ||
| 1107 | D | 82.1 | Confident | 84.2 | Confident | 40 Ų | 40 | 45 Ų | 45 | 21% | 0.214 | 23% | 0.228 | C | C | . | . | trans | -87.1 | 117.1 | -178.6 | -173.7 | -25.6 | 0 | 0 | 0 | 109.6 | R1109 E1110 V1111 | D1107-R1109 PolarHBondContact O-N 3.01Å; D1107-R1109 VanDerWaalsContact O-N 3.08Å; D1107-R1109 WeakPolarHBondContact OD1-CB 3.19Å; D1107-R1109 VanDerWaalsContact OD1-CG 3.28Å; D1107-R1109 WeakPolarHBondContact OD1-CG 3.37Å; D1107-R1109 IonicContact OD1-CZ 2.7Å; D1107-R1109 PolarHBondContact OD1-N 2.81Å; D1107-R1109 IonicContact OD1-NE 2.7Å; D1107-R1109 PolarHBondContact OD1-NE 3.09Å; D1107-R1109 IonicContact OD1-NH2 2.71Å; D1107-R1109 IonicContact OD2-CZ 2.87Å; D1107-R1109 VanDerWaalsContact OD2-CZ 3.24Å; D1107-R1109 IonicContact OD2-NE 3.6Å; D1107-R1109 PolarHBondContact OD2-NE 2.88Å; D1107-R1109 IonicContact OD2-NH2 3.43Å; D1107-R1109 PolarHBondContact OD2-NH2 2.92Å; D1107-E1110 HydrophobicContact CB-CB 3.97Å; D1107-E1110 WeakPolarHBondContact O-CA 3.39Å; D1107-E1110 WeakPolarHBondContact O-CB 3.21Å; D1107-E1110 PolarHBondContact O-N 3.4Å; D1107-V1111 PolarHBondContact O-N 2.79Å | ||
| 1108 | P | 83.3 | Confident | 84.2 | Confident | 31 Ų | 31 | 44.5 Ų | 44.5 | 20% | 0.201 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.8 | -16.5 | -178.6 | 26.6 | -34.8 | 0 | 0 | 0 | 113.3 | M1106 R1112 D1126 | M1106-P1108 WeakPolarHBondContact O-CD 3.17Å; P1108-R1112 WeakPolarHBondContact O-CB 3.36Å; P1108-R1112 WeakPolarHBondContact O-CD 3.28Å; P1108-R1112 WeakPolarHBondContact O-CG 3.5Å; P1108-R1112 PolarHBondContact O-N 2.81Å; P1108-R1112 VanDerWaalsContact O-N 3.14Å; P1108-R1112 PolarHBondContact O-NE 3.32Å; P1108-R1112 VanDerWaalsContact O-NE 3.14Å; P1108-D1126 HydrophobicContact CB-CB 4.48Å; P1108-D1126 WeakPolarHBondContact CB-OD1 3.2Å |
| 1109 | R | 84.5 | Confident | 84.4 | Confident | 166 Ų | 166 | 43.2 Ų | 43.2 | 63% | 0.626 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -72.5 | -41.3 | 170.6 | -53.9 | 172 | -66.5 | 176.9 | 2.4 | 111.2 | D1107 R1112 A1113 F1328 | D1107-R1109 PolarHBondContact O-N 3.01Å; D1107-R1109 VanDerWaalsContact O-N 3.08Å; D1107-R1109 WeakPolarHBondContact OD1-CB 3.19Å; D1107-R1109 VanDerWaalsContact OD1-CG 3.28Å; D1107-R1109 WeakPolarHBondContact OD1-CG 3.37Å; D1107-R1109 IonicContact OD1-CZ 2.7Å; D1107-R1109 PolarHBondContact OD1-N 2.81Å; D1107-R1109 IonicContact OD1-NE 2.7Å; D1107-R1109 PolarHBondContact OD1-NE 3.09Å; D1107-R1109 IonicContact OD1-NH2 2.71Å; D1107-R1109 IonicContact OD2-CZ 2.87Å; D1107-R1109 VanDerWaalsContact OD2-CZ 3.24Å; D1107-R1109 IonicContact OD2-NE 3.6Å; D1107-R1109 PolarHBondContact OD2-NE 2.88Å; D1107-R1109 IonicContact OD2-NH2 3.43Å; D1107-R1109 PolarHBondContact OD2-NH2 2.92Å; R1109-R1112 PolarHBondContact O-N 2.92Å; R1109-A1113 WeakPolarHBondContact O-CB 3.17Å; R1109-A1113 PolarHBondContact O-N 2.6Å; R1109-F1328 HydrophobicContact CB-CZ 4.13Å |
| 1110 | E | 86.6 | Confident | 84.8 | Confident | 28 Ų | 28 | 42.1 Ų | 42.1 | 13% | 0.131 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.7 | -44.1 | 174.8 | -173.1 | 177.4 | -165.7 | 0 | 0 | 110.3 | V1105 D1107 R1112 A1113 L1114 K1171 F1328 | V1105-E1110 HydrophobicContact CG1-CB 3.76Å; V1105-E1110 HydrophobicContact CG1-CG 3.61Å; D1107-E1110 HydrophobicContact CB-CB 3.97Å; D1107-E1110 WeakPolarHBondContact O-CA 3.39Å; D1107-E1110 WeakPolarHBondContact O-CB 3.21Å; D1107-E1110 PolarHBondContact O-N 3.4Å; E1110-R1112 VanDerWaalsContact C-N 3.33Å; E1110-R1112 PolarHBondContact O-N 2.95Å; E1110-A1113 PolarHBondContact O-N 3.36Å; E1110-L1114 HydrophobicContact CG-CD1 3.92Å; E1110-L1114 HydrophobicContact CG-CG 4.46Å; E1110-L1114 WeakPolarHBondContact O-CB 3.42Å; E1110-L1114 WeakPolarHBondContact O-CG 3.5Å; E1110-L1114 PolarHBondContact O-N 2.79Å; E1110-K1171 WeakPolarHBondContact OE1-CD 3.21Å; E1110-K1171 VanDerWaalsContact OE1-CE 3.32Å; E1110-K1171 WeakPolarHBondContact OE1-CE 3.38Å; E1110-K1171 IonicContact OE1-NZ 2.72Å; E1110-K1171 PolarHBondContact OE1-NZ 3.19Å; E1110-F1328 HydrophobicContact CB-CD1 3.63Å; E1110-F1328 HydrophobicContact CB-CE1 3.64Å; E1110-F1328 HydrophobicContact CB-CG 4.43Å; E1110-F1328 HydrophobicContact CB-CZ 4.44Å; E1110-F1328 HydrophobicContact CG-CB 4.36Å; E1110-F1328 HydrophobicContact CG-CD1 3.58Å; E1110-F1328 HydrophobicContact CG-CE1 4.14Å; E1110-F1328 HydrophobicContact CG-CG 4.14Å |
| 1111 | V | 86.8 | Confident | 84.9 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.5 | -46.4 | 173.8 | -177.6 | 0 | 0 | 0 | 0 | 111.1 | F1076 V1105 D1107 L1114 K1115 T1124 P1169 | F1076-V1111 HydrophobicContact CZ-CG1 4.47Å; V1105-V1111 HydrophobicContact CB-CG2 3.85Å; V1105-V1111 HydrophobicContact CG1-CB 4.36Å; V1105-V1111 HydrophobicContact CG1-CG2 3.46Å; V1105-V1111 VanDerWaalsContact CG1-CG2 3.46Å; D1107-V1111 PolarHBondContact O-N 2.79Å; V1111-L1114 PolarHBondContact O-N 3.17Å; V1111-K1115 HydrophobicContact CG1-CD 4.12Å; V1111-K1115 HydrophobicContact CG1-CG 4.39Å; V1111-K1115 WeakPolarHBondContact O-CB 3.42Å; V1111-K1115 VanDerWaalsContact O-CG 3.31Å; V1111-K1115 WeakPolarHBondContact O-CG 3.4Å; V1111-K1115 PolarHBondContact O-N 3.36Å; V1111-T1124 HydrophobicContact CB-CG2 4.12Å; V1111-T1124 HydrophobicContact CG1-CG2 3.71Å; V1111-P1169 HydrophobicContact CG1-CB 4.33Å; V1111-P1169 HydrophobicContact CG2-CB 4.22Å; V1111-P1169 HydrophobicContact CG2-CG 4.18Å |
| 1112 | R | 85.8 | Confident | 84.8 | Confident | 98 Ų | 98 | 46.1 Ų | 46.1 | 37% | 0.37 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.8 | -40.1 | 179.5 | -69.1 | 162.4 | -150.8 | -174.8 | 4.7 | 112 | P1108 R1109 E1110 L1116 D1126 | P1108-R1112 WeakPolarHBondContact O-CB 3.36Å; P1108-R1112 WeakPolarHBondContact O-CD 3.28Å; P1108-R1112 WeakPolarHBondContact O-CG 3.5Å; P1108-R1112 PolarHBondContact O-N 2.81Å; P1108-R1112 VanDerWaalsContact O-N 3.14Å; P1108-R1112 PolarHBondContact O-NE 3.32Å; P1108-R1112 VanDerWaalsContact O-NE 3.14Å; R1109-R1112 PolarHBondContact O-N 2.92Å; E1110-R1112 VanDerWaalsContact C-N 3.33Å; E1110-R1112 PolarHBondContact O-N 2.95Å; R1112-L1116 VanDerWaalsContact O-CG 3.31Å; R1112-L1116 WeakPolarHBondContact O-CG 3.17Å; R1112-L1116 PolarHBondContact O-N 3.24Å; R1112-D1126 IonicContact CZ-OD1 2.65Å; R1112-D1126 IonicContact NH2-OD1 3.39Å; R1112-D1126 PolarHBondContact NH2-OD1 2.9Å; R1112-D1126 IonicContact NH2-OD2 3.27Å; R1112-D1126 PolarHBondContact NH2-OD2 2.87Å |
| 1113 | A | 84 | Confident | 84.5 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.7 | -44.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1109 E1110 L1116 A1117 F1268 F1328 I1330 | R1109-A1113 WeakPolarHBondContact O-CB 3.17Å; R1109-A1113 PolarHBondContact O-N 2.6Å; E1110-A1113 PolarHBondContact O-N 3.36Å; A1113-L1116 PolarHBondContact O-N 3.04Å; A1113-A1117 WeakPolarHBondContact O-CB 3.35Å; A1113-A1117 PolarHBondContact O-N 2.85Å; A1113-F1268 WeakPolarHBondContact O-CE1 3.39Å; A1113-F1328 HydrophobicContact CB-CD2 3.43Å; A1113-F1328 VanDerWaalsContact CB-CD2 3.43Å; A1113-F1328 HydrophobicContact CB-CE2 3.53Å; A1113-F1328 HydrophobicContact CB-CG 4.32Å; A1113-F1328 HydrophobicContact CB-CZ 4.47Å; A1113-I1330 HydrophobicContact CB-CD1 4.26Å |
| 1114 | L | 87.3 | Confident | 84 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 175.4 | -70.3 | 168.2 | 0 | 0 | 0 | 111.6 | T1074 F1076 V1105 E1110 V1111 L1116 A1117 F1118 K1171 I1330 | T1074-L1114 HydrophobicContact CG2-CD2 4.3Å; F1076-L1114 HydrophobicContact CB-CB 4.13Å; F1076-L1114 HydrophobicContact CB-CD1 4.39Å; F1076-L1114 HydrophobicContact CB-CD2 4.14Å; F1076-L1114 HydrophobicContact CB-CG 4.46Å; F1076-L1114 HydrophobicContact CD1-CB 4.01Å; F1076-L1114 HydrophobicContact CD2-CB 3.97Å; F1076-L1114 HydrophobicContact CD2-CD1 3.68Å; F1076-L1114 HydrophobicContact CD2-CG 4.37Å; F1076-L1114 HydrophobicContact CE1-CB 4.44Å; F1076-L1114 HydrophobicContact CE2-CB 4.39Å; F1076-L1114 HydrophobicContact CE2-CD1 4.25Å; F1076-L1114 HydrophobicContact CG-CB 3.76Å; F1076-L1114 HydrophobicContact CG-CD1 4.17Å; F1076-L1114 HydrophobicContact CG-CG 4.4Å; V1105-L1114 HydrophobicContact CG1-CD1 4.07Å; V1105-L1114 HydrophobicContact CG2-CD1 3.85Å; E1110-L1114 HydrophobicContact CG-CD1 3.92Å; E1110-L1114 HydrophobicContact CG-CG 4.46Å; E1110-L1114 WeakPolarHBondContact O-CB 3.42Å; E1110-L1114 WeakPolarHBondContact O-CG 3.5Å; E1110-L1114 PolarHBondContact O-N 2.79Å; V1111-L1114 PolarHBondContact O-N 3.17Å; L1114-L1116 VanDerWaalsContact C-N 3.31Å; L1114-L1116 PolarHBondContact O-N 3.26Å; L1114-A1117 PolarHBondContact O-N 2.87Å; L1114-A1117 VanDerWaalsContact O-N 3.16Å; L1114-F1118 HydrophobicContact CD2-CE2 4.37Å; L1114-F1118 WeakPolarHBondContact O-CD2 3.23Å; L1114-F1118 PolarHBondContact O-N 2.92Å; L1114-K1171 HydrophobicContact CD1-CB 4.4Å; L1114-I1330 HydrophobicContact CD2-CB 4.35Å; L1114-I1330 HydrophobicContact CD2-CD1 3.86Å; L1114-I1330 HydrophobicContact CD2-CG1 3.71Å; L1114-I1330 HydrophobicContact CD2-CG2 3.87Å; L1114-I1330 HydrophobicContact CG-CD1 4.35Å |
| 1115 | K | 88.7 | Confident | 83.6 | Confident | 12 Ų | 12 | 57.8 Ų | 57.8 | 5% | 0.052 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58 | -41.3 | 175.4 | -77.9 | -174.6 | -177.9 | -168 | 0 | 112.8 | F1076 E1078 V1111 N1119 I1120 T1122 P1123 T1124 | F1076-K1115 HydrophobicContact CE1-CG 3.86Å; F1076-K1115 HydrophobicContact CZ-CG 4.25Å; E1078-K1115 WeakPolarHBondContact OE1-CE 3.48Å; E1078-K1115 IonicContact OE1-NZ 2.83Å; E1078-K1115 PolarHBondContact OE1-NZ 2.59Å; E1078-K1115 IonicContact OE2-NZ 3.74Å; V1111-K1115 HydrophobicContact CG1-CD 4.12Å; V1111-K1115 HydrophobicContact CG1-CG 4.39Å; V1111-K1115 WeakPolarHBondContact O-CB 3.42Å; V1111-K1115 VanDerWaalsContact O-CG 3.31Å; V1111-K1115 WeakPolarHBondContact O-CG 3.4Å; V1111-K1115 PolarHBondContact O-N 3.36Å; K1115-N1119 PolarHBondContact O-N 3.23Å; K1115-I1120 HydrophobicContact CB-CB 4.33Å; K1115-I1120 HydrophobicContact CG-CB 4.18Å; K1115-I1120 HydrophobicContact CG-CG2 4.36Å; K1115-I1120 PolarHBondContact O-N 3.41Å; K1115-T1122 VanDerWaalsContact CE-OG1 3.24Å; K1115-T1122 WeakPolarHBondContact CE-OG1 3.43Å; K1115-T1122 PolarHBondContact NZ-O 3.03Å; K1115-T1122 PolarHBondContact NZ-OG1 3.06Å; K1115-P1123 PolarHBondContact NZ-O 3.04Å; K1115-T1124 WeakPolarHBondContact CD-OG1 3.26Å; K1115-T1124 WeakPolarHBondContact CE-OG1 3.38Å; K1115-T1124 PolarHBondContact NZ-OG1 2.95Å |
| 1116 | L | 84.8 | Confident | 83.2 | Confident | 91 Ų | 91 | 61.4 Ų | 61.4 | 48% | 0.476 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 174.1 | -72.2 | 166.2 | 0 | 0 | 0 | 112 | R1112 A1113 L1114 F1118 N1119 F1268 T1270 | R1112-L1116 VanDerWaalsContact O-CG 3.31Å; R1112-L1116 WeakPolarHBondContact O-CG 3.17Å; R1112-L1116 PolarHBondContact O-N 3.24Å; A1113-L1116 PolarHBondContact O-N 3.04Å; L1114-L1116 VanDerWaalsContact C-N 3.31Å; L1114-L1116 PolarHBondContact O-N 3.26Å; L1116-F1118 PolarHBondContact O-N 3.38Å; L1116-N1119 PolarHBondContact O-N 2.75Å; L1116-N1119 PolarHBondContact O-OD1 2.73Å; L1116-F1268 HydrophobicContact CB-CD1 4.13Å; L1116-F1268 HydrophobicContact CB-CE1 4.15Å; L1116-F1268 HydrophobicContact CD1-CD1 4.45Å; L1116-T1270 HydrophobicContact CD1-CG2 3.65Å |
| 1117 | A | 81.3 | Confident | 83.1 | Confident | 29 Ų | 29 | 64.1 Ų | 64.1 | 24% | 0.24 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.3 | -24.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | A1113 L1114 F1268 I1330 | A1113-A1117 WeakPolarHBondContact O-CB 3.35Å; A1113-A1117 PolarHBondContact O-N 2.85Å; L1114-A1117 PolarHBondContact O-N 2.87Å; L1114-A1117 VanDerWaalsContact O-N 3.16Å; A1117-F1268 HydrophobicContact CB-CE1 4.07Å; A1117-F1268 HydrophobicContact CB-CZ 4.05Å; A1117-I1330 HydrophobicContact CB-CD1 4.06Å; A1117-I1330 HydrophobicContact CB-CG2 3.93Å |
| 1118 | F | 83.1 | Confident | 83.1 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 4.3 | -179.6 | -73.8 | -76.4 | 0 | 0 | 0 | 114.3 | Y916 T1074 F1076 L1114 L1116 I1120 I1330 | Y916-F1118 HydrophobicContact CD1-CB 4.48Å; Y916-F1118 HydrophobicContact CD1-CD1 4.05Å; Y916-F1118 HydrophobicContact CD1-CG 4.48Å; Y916-F1118 HydrophobicContact CD2-CB 4.47Å; Y916-F1118 HydrophobicContact CE1-CB 4.33Å; Y916-F1118 AromaticContact CE1-CD1 3.33Å; Y916-F1118 HydrophobicContact CE1-CD1 3.33Å; Y916-F1118 AromaticContact CE1-CE1 3.91Å; Y916-F1118 HydrophobicContact CE1-CE1 3.91Å; Y916-F1118 HydrophobicContact CE1-CG 4.14Å; Y916-F1118 HydrophobicContact CE2-CB 4.31Å; Y916-F1118 HydrophobicContact CE2-CD1 4.43Å; Y916-F1118 VanDerWaalsContact CE2-O 3.29Å; Y916-F1118 WeakPolarHBondContact CE2-O 3.37Å; Y916-F1118 AromaticContact CZ-CD1 3.57Å; T1074-F1118 VanDerWaalsContact O-CZ 3.25Å; T1074-F1118 WeakPolarHBondContact O-CZ 3.4Å; F1076-F1118 HydrophobicContact CB-CD2 3.76Å; F1076-F1118 HydrophobicContact CB-CE2 3.75Å; F1076-F1118 HydrophobicContact CD1-CD2 4.45Å; L1114-F1118 HydrophobicContact CD2-CE2 4.37Å; L1114-F1118 WeakPolarHBondContact O-CD2 3.23Å; L1114-F1118 PolarHBondContact O-N 2.92Å; L1116-F1118 PolarHBondContact O-N 3.38Å; F1118-I1120 HydrophobicContact CB-CD1 3.59Å; F1118-I1120 HydrophobicContact CB-CG1 3.89Å; F1118-I1330 HydrophobicContact CE2-CG2 3.99Å |
| 1119 | N | 81.5 | Confident | 83 | Confident | 144 Ų | 144 | 63.4 Ų | 63.4 | 77% | 0.77 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 50.7 | -176.9 | -64.6 | -35.3 | 0 | 0 | 0 | 113.7 | K1115 L1116 | K1115-N1119 PolarHBondContact O-N 3.23Å; L1116-N1119 PolarHBondContact O-N 2.75Å; L1116-N1119 PolarHBondContact O-OD1 2.73Å |
| 1120 | I | 82.3 | Confident | 82.7 | Confident | 18 Ų | 18 | 58 Ų | 58 | 9% | 0.092 | 32% | 0.316 | C | S | . | . | trans | -109.1 | 104.1 | -176.9 | -56.4 | 165.8 | 0 | 0 | 0 | 110.5 | Y916 F1076 K1115 F1118 T1122 | Y916-I1120 VanDerWaalsContact CB-CD1 3.44Å; Y916-I1120 HydrophobicContact CD1-CD1 4.47Å; Y916-I1120 HydrophobicContact CD2-CD1 4.09Å; Y916-I1120 HydrophobicContact CD2-CG1 3.86Å; Y916-I1120 HydrophobicContact CG-CD1 3.77Å; Y916-I1120 HydrophobicContact CG-CG1 4.06Å; F1076-I1120 HydrophobicContact CD1-CD1 3.52Å; F1076-I1120 HydrophobicContact CE1-CD1 3.63Å; K1115-I1120 HydrophobicContact CB-CB 4.33Å; K1115-I1120 HydrophobicContact CG-CB 4.18Å; K1115-I1120 HydrophobicContact CG-CG2 4.36Å; K1115-I1120 PolarHBondContact O-N 3.41Å; F1118-I1120 HydrophobicContact CB-CD1 3.59Å; F1118-I1120 HydrophobicContact CB-CG1 3.89Å; I1120-T1122 VanDerWaalsContact C-N 3.33Å; I1120-T1122 HydrophobicContact CG2-CG2 3.86Å; I1120-T1122 WeakPolarHBondContact CG2-OG1 3.24Å; I1120-T1122 PolarHBondContact O-N 3.17Å | ||
| 1121 | D | 80.9 | Confident | 81.9 | Confident | 128 Ų | 128 | 60.7 Ų | 60.7 | 68% | 0.684 | 33% | 0.331 | S | S | * | . | trans | -90.5 | 50.6 | -177.3 | -60.2 | -41.4 | 0 | 0 | 0 | 113.4 | K16 | K16-D1121 VanDerWaalsContact NZ-CG 3.27Å; K16-D1121 IonicContact NZ-OD2 2.96Å; K16-D1121 PolarHBondContact NZ-OD2 3.44Å | ||
| 1122 | T | 84.3 | Confident | 80.9 | Confident | 34 Ų | 34 | 61.6 Ų | 61.6 | 21% | 0.209 | 34% | 0.336 | C | S | . | . | trans | -102.8 | 148.8 | 178.6 | 54.3 | 0 | 0 | 0 | 0 | 111.6 | E1078 K1115 I1120 L1167 | E1078-T1122 VanDerWaalsContact CD-OG1 3.26Å; E1078-T1122 PolarHBondContact OE1-OG1 3.47Å; E1078-T1122 VanDerWaalsContact OE2-CB 3.24Å; E1078-T1122 WeakPolarHBondContact OE2-CB 2.97Å; E1078-T1122 WeakPolarHBondContact OE2-CG2 3.27Å; E1078-T1122 PolarHBondContact OE2-OG1 2.82Å; K1115-T1122 VanDerWaalsContact CE-OG1 3.24Å; K1115-T1122 WeakPolarHBondContact CE-OG1 3.43Å; K1115-T1122 PolarHBondContact NZ-O 3.03Å; K1115-T1122 PolarHBondContact NZ-OG1 3.06Å; I1120-T1122 VanDerWaalsContact C-N 3.33Å; I1120-T1122 HydrophobicContact CG2-CG2 3.86Å; I1120-T1122 WeakPolarHBondContact CG2-OG1 3.24Å; I1120-T1122 PolarHBondContact O-N 3.17Å; T1122-L1167 HydrophobicContact CG2-CD1 4.07Å | ||
| 1123 | P | 82.8 | Confident | 79.4 | Confident | 111 Ų | 111 | 63.5 Ų | 63.5 | 72% | 0.721 | 35% | 0.351 | S | S | * | . | trans | -58.6 | 145.5 | 174.7 | 27 | -35.2 | 0 | 0 | 0 | 110.9 | K1115 | K1115-P1123 PolarHBondContact NZ-O 3.04Š| ||
| 1124 | T | 79.1 | Confident | 78 | Confident | 48 Ų | 48 | 71.6 Ų | 71.6 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | trans | -112.6 | 127.9 | 175.1 | -62.5 | 0 | 0 | 0 | 0 | 108.5 | V1111 K1115 | V1111-T1124 HydrophobicContact CB-CG2 4.12Å; V1111-T1124 HydrophobicContact CG1-CG2 3.71Å; K1115-T1124 WeakPolarHBondContact CD-OG1 3.26Å; K1115-T1124 WeakPolarHBondContact CE-OG1 3.38Å; K1115-T1124 PolarHBondContact NZ-OG1 2.95Å | ||
| 1125 | E | 78.2 | Confident | 76.1 | Confident | 119 Ų | 119 | 76.2 Ų | 76.2 | 56% | 0.556 | 41% | 0.41 | S | S | * | . | trans | -98.5 | 121 | 174.7 | -168.1 | 158.9 | -156.6 | 0 | 0 | 108 | L1128 | E1125-L1128 HydrophobicContact CB-CD1 4.43Å; E1125-L1128 HydrophobicContact CG-CD1 4.21Å | ||
| 1126 | D | 78.2 | Confident | 73.9 | Confident | 78 Ų | 78 | 79.2 Ų | 79.2 | 42% | 0.417 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 147.7 | 176.2 | -65.6 | -9.1 | 0 | 0 | 0 | 108.7 | P1108 R1112 L1128 | P1108-D1126 HydrophobicContact CB-CB 4.48Å; P1108-D1126 WeakPolarHBondContact CB-OD1 3.2Å; R1112-D1126 IonicContact CZ-OD1 2.65Å; R1112-D1126 IonicContact NH2-OD1 3.39Å; R1112-D1126 PolarHBondContact NH2-OD1 2.9Å; R1112-D1126 IonicContact NH2-OD2 3.27Å; R1112-D1126 PolarHBondContact NH2-OD2 2.87Å; D1126-L1128 VanDerWaalsContact C-N 3.35Å; D1126-L1128 PolarHBondContact O-N 2.78Å |
| 1127 | D | 79.8 | Confident | 71.9 | Confident | 154 Ų | 154 | 84 Ų | 84 | 82% | 0.824 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 30.1 | 179.5 | -60.8 | -29.8 | 0 | 0 | 0 | 117 | F1129 | D1127-F1129 VanDerWaalsContact C-N 3.25Å; D1127-F1129 PolarHBondContact O-N 2.7Å; D1127-F1129 VanDerWaalsContact O-N 3.11Å |
| 1128 | L | 81.7 | Confident | 70.1 | Confident | 33 Ų | 33 | 91.1 Ų | 91.1 | 17% | 0.173 | 47% | 0.467 | C | S | . | . | trans | -57.8 | -23.8 | -177.1 | -174.1 | 64.6 | 0 | 0 | 0 | 116.4 | E1125 D1126 L1158 V1166 | E1125-L1128 HydrophobicContact CB-CD1 4.43Å; E1125-L1128 HydrophobicContact CG-CD1 4.21Å; D1126-L1128 VanDerWaalsContact C-N 3.35Å; D1126-L1128 PolarHBondContact O-N 2.78Å; L1128-L1158 HydrophobicContact CD1-CD2 4.23Å; L1128-L1158 HydrophobicContact CD2-CD2 4.2Å; L1128-L1158 HydrophobicContact CG-CD2 3.89Å; L1128-V1166 HydrophobicContact CD1-CG1 3.7Å; L1128-V1166 HydrophobicContact CD2-CG1 3.9Å; L1128-V1166 HydrophobicContact CG-CG1 4.32Å | ||
| 1129 | F | 82.3 | Confident | 68 | Low | 24 Ų | 24 | 97.9 Ų | 97.9 | 11% | 0.105 | 50% | 0.504 | C | S | . | . | trans | -121.2 | 129.6 | -165.9 | -60.2 | -80.9 | 0 | 0 | 0 | 112.8 | F1104 M1106 D1127 V1156 L1158 I1168 P1169 | F1104-F1129 HydrophobicContact CB-CE1 4.17Å; F1104-F1129 HydrophobicContact CB-CE2 4.17Å; F1104-F1129 HydrophobicContact CB-CZ 3.83Å; F1104-F1129 AromaticContact CD1-CE1 3.77Å; F1104-F1129 HydrophobicContact CD1-CE1 3.77Å; F1104-F1129 AromaticContact CD1-CZ 3.87Å; F1104-F1129 HydrophobicContact CD1-CZ 3.87Å; F1104-F1129 HydrophobicContact CE1-CE1 4.41Å; F1104-F1129 HydrophobicContact CG-CE1 4.01Å; F1104-F1129 HydrophobicContact CG-CZ 4.1Å; M1106-F1129 HydrophobicContact CE-CB 3.69Å; M1106-F1129 HydrophobicContact CE-CD2 4.4Å; M1106-F1129 HydrophobicContact CE-CG 4.44Å; M1106-F1129 HydrophobicContact SD-CB 3.63Å; M1106-F1129 HydrophobicContact SD-CD2 3.52Å; M1106-F1129 VanDerWaalsContact SD-CD2 3.52Å; M1106-F1129 HydrophobicContact SD-CE2 4.29Å; M1106-F1129 HydrophobicContact SD-CG 3.76Å; D1127-F1129 VanDerWaalsContact C-N 3.25Å; D1127-F1129 PolarHBondContact O-N 2.7Å; D1127-F1129 VanDerWaalsContact O-N 3.11Å; F1129-V1156 HydrophobicContact CB-CG1 4.19Å; F1129-V1156 HydrophobicContact CD1-CG1 3.55Å; F1129-V1156 HydrophobicContact CE1-CG1 4.29Å; F1129-V1156 HydrophobicContact CG-CG1 4.24Å; F1129-L1158 HydrophobicContact CD1-CD1 4.01Å; F1129-L1158 HydrophobicContact CD1-CD2 4.21Å; F1129-L1158 HydrophobicContact CD1-CG 4.02Å; F1129-L1158 HydrophobicContact CE1-CD1 4.07Å; F1129-L1158 HydrophobicContact CE1-CD2 4.2Å; F1129-L1158 HydrophobicContact CE1-CG 4.34Å; F1129-I1168 HydrophobicContact CE1-CG2 3.94Å; F1129-I1168 HydrophobicContact CZ-CG2 3.89Å; F1129-P1169 HydrophobicContact CE2-CG 4.06Å; F1129-P1169 HydrophobicContact CZ-CG 4.27Å | ||
| 1130 | A | 76.7 | Confident | 65.8 | Low | 51 Ų | 51 | 98.8 Ų | 98.8 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 156 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | I1157 | A1130-I1157 HydrophobicContact CB-CD1 4.48Å; A1130-I1157 HydrophobicContact CB-CG1 4.29Å; A1130-I1157 PolarHBondContact N-O 3.2Å; A1130-I1157 PolarHBondContact O-N 2.83Å |
| 1131 | L | 70.8 | Confident | 63.6 | Low | 86 Ų | 86 | 105 Ų | 105 | 45% | 0.45 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 132 | 171.5 | -78.2 | 160.5 | 0 | 0 | 0 | 110.2 | M1133 N1155 | L1131-M1133 PolarHBondContact O-N 3.18Å; L1131-N1155 CarbonylContact C-O 3.56Å; L1131-N1155 WeakPolarHBondContact CA-O 3.36Å |
| 1132 | D | 65.2 | Low | 61.5 | Low | 25 Ų | 25 | 106.4 Ų | 106.4 | 13% | 0.134 | 54% | 0.544 | C | S | . | . | trans | -75 | 109.2 | 179.4 | -161.2 | -10.6 | 0 | 0 | 0 | 112.2 | K1134 N1155 I1157 | D1132-K1134 WeakPolarHBondContact OD1-CB 3.35Å; D1132-K1134 PolarHBondContact OD1-N 2.75Å; D1132-N1155 HydrophobicContact CB-CB 4.16Å; D1132-N1155 PolarHBondContact N-O 3.24Å; D1132-I1157 HydrophobicContact CB-CD1 3.78Å; D1132-I1157 HydrophobicContact CB-CG1 3.94Å | ||
| 1133 | M | 55.2 | Low | 59.1 | Low | 138 Ų | 138 | 109.7 Ų | 109.7 | 68% | 0.68 | 56% | 0.56 | S | S | * | * | trans | -83.2 | -13.7 | 177.3 | -65.8 | -76.1 | -90.4 | 0 | 0 | 112.9 | L1131 N1136 | L1131-M1133 PolarHBondContact O-N 3.18Å; M1133-N1136 PolarHBondContact O-N 2.95Å | ||
| 1134 | K | 53.5 | Low | 57.1 | Low | 174 Ų | 174 | 108.7 Ų | 108.7 | 76% | 0.757 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -72.7 | -30.3 | -171.8 | -70.4 | 178.5 | 176.4 | 172.1 | 0 | 113.6 | D1132 N1136 | D1132-K1134 WeakPolarHBondContact OD1-CB 3.35Å; D1132-K1134 PolarHBondContact OD1-N 2.75Å; K1134-N1136 VanDerWaalsContact C-N 3.33Å |
| 1135 | N | 47 | Very low | 55.4 | Low | 97 Ų | 97 | 112.1 Ų | 112.1 | 52% | 0.519 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -75.9 | -19 | 178.9 | -69.5 | -22.7 | 0 | 0 | 0 | 113.4 | Y1137 N1155 | N1135-Y1137 PolarHBondContact O-N 3.03Å; N1135-Y1137 VanDerWaalsContact O-N 3.16Å; N1135-N1155 PolarHBondContact ND2-OD1 3.02Å |
| 1136 | N | 42.9 | Very low | 53.8 | Low | 76 Ų | 76 | 111.8 Ų | 111.8 | 41% | 0.406 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -74.2 | -2.2 | -175.6 | -71.1 | -19.1 | 0 | 0 | 0 | 114.7 | M1133 K1134 | M1133-N1136 PolarHBondContact O-N 2.95Å; K1134-N1136 VanDerWaalsContact C-N 3.33Å |
| 1137 | Y | 43.6 | Very low | 52 | Low | 192 Ų | 192 | 114 Ų | 114 | 75% | 0.753 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -84.8 | -1.7 | -177.1 | -84.6 | -76.4 | 0 | 0 | 0 | 115.4 | N1135 | N1135-Y1137 PolarHBondContact O-N 3.03Å; N1135-Y1137 VanDerWaalsContact O-N 3.16Å |
| 1138 | H | 43.5 | Very low | 50.1 | Low | 178 Ų | 178 | 115 Ų | 115 | 82% | 0.824 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -110.7 | -26.8 | 178.3 | -92.6 | -61.7 | 0 | 0 | 0 | 115.9 | ||
| 1139 | D | 38.7 | Very low | 48.1 | Very low | 148 Ų | 148 | 121.7 Ų | 121.7 | 79% | 0.791 | 59% | 0.594 | S | S | * | * | trans | -105.2 | 70.3 | 178.5 | -78.2 | -58.7 | 0 | 0 | 0 | 112.4 | ||||
| 1140 | H | 36 | Very low | 46.1 | Very low | 163 Ų | 163 | 123.6 Ų | 123.6 | 76% | 0.755 | 61% | 0.61 | S | S | * | * | trans | -94.4 | 5.4 | 172.7 | -118.6 | -55.5 | 0 | 0 | 0 | 113.9 | ||||
| 1141 | N | 36.1 | Very low | 44.4 | Very low | 147 Ų | 147 | 124.5 Ų | 124.5 | 79% | 0.786 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -129.9 | 68.2 | -175 | -83 | -30.6 | 0 | 0 | 0 | 112.6 | ||
| 1142 | N | 36.6 | Very low | 43.4 | Very low | 158 Ų | 158 | 127.2 Ų | 127.2 | 85% | 0.845 | 62% | 0.616 | S | S | * | * | trans | -162.9 | 152.3 | 145.1 | -100.9 | -34.8 | 0 | 0 | 0 | 112.6 | ||||
| 1143 | N | 34 | Very low | 42.8 | Very low | 104 Ų | 104 | 128 Ų | 128 | 56% | 0.556 | 62% | 0.617 | S | S | * | * | trans | -91.7 | 98.3 | 176.3 | -79 | -34.7 | 0 | 0 | 0 | 110.2 | ||||
| 1144 | D | 40.2 | Very low | 42.9 | Very low | 89 Ų | 89 | 124.6 Ų | 124.6 | 48% | 0.476 | 60% | 0.601 | S | S | . | * | trans | -148 | 120.8 | 161.6 | -122.4 | -43.1 | 0 | 0 | 0 | 114.2 | I1146 | D1144-I1146 PolarHBondContact O-N 2.97Š| ||
| 1145 | N | 44 | Very low | 43.5 | Very low | 120 Ų | 120 | 117.5 Ų | 117.5 | 64% | 0.642 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -79.7 | -7.1 | 177 | -86.9 | -62.4 | 0 | 0 | 0 | 112.8 | R1148 | N1145-R1148 PolarHBondContact OD1-NH1 3.15Š|
| 1146 | I | 44.9 | Very low | 45 | Very low | 112 Ų | 112 | 113 Ų | 113 | 57% | 0.574 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -72.2 | -39.8 | -178.3 | -62.3 | 176.1 | 0 | 0 | 0 | 111 | D1144 R1148 K1149 | D1144-I1146 PolarHBondContact O-N 2.97Å; I1146-R1148 PolarHBondContact O-N 2.87Å; I1146-K1149 PolarHBondContact O-N 3.47Å |
| 1147 | E | 38.8 | Very low | 46.9 | Very low | 125 Ų | 125 | 110.8 Ų | 110.8 | 58% | 0.584 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.8 | -23.5 | -174.1 | -62.1 | -163.3 | 135.5 | 0 | 0 | 114.1 | K1149 S1150 L1151 | E1147-K1149 PolarHBondContact O-N 2.87Å; E1147-S1150 PolarHBondContact O-N 2.77Å; E1147-L1151 HydrophobicContact CB-CD1 4.08Å; E1147-L1151 HydrophobicContact CB-CG 4.45Å; E1147-L1151 WeakPolarHBondContact O-CB 3.42Å; E1147-L1151 WeakPolarHBondContact O-CG 3.15Å; E1147-L1151 PolarHBondContact O-N 2.86Å |
| 1148 | R | 39.6 | Very low | 49.1 | Very low | 174 Ų | 174 | 101.8 Ų | 101.8 | 66% | 0.657 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.6 | -15.8 | 180 | -75 | 178.6 | 169.3 | 158.2 | -8 | 114.5 | N1145 I1146 | N1145-R1148 PolarHBondContact OD1-NH1 3.15Å; I1146-R1148 PolarHBondContact O-N 2.87Å |
| 1149 | K | 39.9 | Very low | 51.2 | Low | 174 Ų | 174 | 98.4 Ų | 98.4 | 76% | 0.757 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -85.6 | -40.1 | 168.1 | -80.5 | -172.9 | 172.9 | -176.3 | 0 | 112.8 | I1146 E1147 | I1146-K1149 PolarHBondContact O-N 3.47Å; E1147-K1149 PolarHBondContact O-N 2.87Å |
| 1150 | S | 42.1 | Very low | 53.6 | Low | 64 Ų | 64 | 91.4 Ų | 91.4 | 45% | 0.448 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -71.8 | -38.8 | 179.1 | -53.8 | 0 | 0 | 0 | 0 | 112.6 | E1147 K1152 R1153 | E1147-S1150 PolarHBondContact O-N 2.77Å; S1150-K1152 PolarHBondContact O-N 3.45Å; S1150-R1153 PolarHBondContact O-N 3.18Å |
| 1151 | L | 39.9 | Very low | 56 | Low | 71 Ų | 71 | 88.3 Ų | 88.3 | 37% | 0.372 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -19.3 | 177.1 | -78.6 | 163.8 | 0 | 0 | 0 | 113.9 | E1147 | E1147-L1151 HydrophobicContact CB-CD1 4.08Å; E1147-L1151 HydrophobicContact CB-CG 4.45Å; E1147-L1151 WeakPolarHBondContact O-CB 3.42Å; E1147-L1151 WeakPolarHBondContact O-CG 3.15Å; E1147-L1151 PolarHBondContact O-N 2.86Å |
| 1152 | K | 49.8 | Very low | 58.3 | Low | 142 Ų | 142 | 84.3 Ų | 84.3 | 62% | 0.617 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -9.5 | 174.9 | -74.5 | -164.7 | 174.3 | -166.7 | 0 | 115 | S1150 V1156 | S1150-K1152 PolarHBondContact O-N 3.45Å; K1152-V1156 WeakPolarHBondContact O-CG2 3.46Å |
| 1153 | R | 52.8 | Low | 60.5 | Low | 43 Ų | 43 | 80 Ų | 80 | 16% | 0.162 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -46.2 | -175.7 | -77 | -174.8 | 160.7 | 105.5 | 2.2 | 114.2 | N1100 L1102 S1150 | N1100-R1153 PolarHBondContact O-NH2 2.89Å; N1100-R1153 WeakPolarHBondContact OD1-CD 3.35Å; N1100-R1153 PolarHBondContact OD1-NH1 3.01Å; L1102-R1153 VanDerWaalsContact O-CZ 3.3Å; L1102-R1153 PolarHBondContact O-NE 2.89Å; L1102-R1153 PolarHBondContact O-NH2 2.94Å; S1150-R1153 PolarHBondContact O-N 3.18Å |
| 1154 | N | 57.2 | Low | 63.1 | Low | 65 Ų | 65 | 77.7 Ų | 77.7 | 35% | 0.348 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -110.1 | 9.4 | -168.5 | -64.3 | -6.6 | 0 | 0 | 0 | 114.2 | N1094 I1095 | N1094-N1154 PolarHBondContact OD1-ND2 3.15Å; I1095-N1154 PolarHBondContact N-OD1 3.48Å; I1095-N1154 PolarHBondContact O-ND2 3.41Å; I1095-N1154 PolarHBondContact O-OD1 3.12Å |
| 1155 | N | 67.2 | Low | 65.4 | Low | 26 Ų | 26 | 76.6 Ų | 76.6 | 14% | 0.139 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -116.3 | 35.6 | 168.8 | -73.4 | -29.8 | 0 | 0 | 0 | 110.5 | L1131 D1132 N1135 | L1131-N1155 CarbonylContact C-O 3.56Å; L1131-N1155 WeakPolarHBondContact CA-O 3.36Å; D1132-N1155 HydrophobicContact CB-CB 4.16Å; D1132-N1155 PolarHBondContact N-O 3.24Å; N1135-N1155 PolarHBondContact ND2-OD1 3.02Å |
| 1156 | V | 76.6 | Confident | 67.6 | Low | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 121.4 | -179.7 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | N1092 V1093 F1104 F1129 K1152 | N1092-V1156 PolarHBondContact OD1-O 3.18Å; V1093-V1156 PolarHBondContact N-O 3.43Å; F1104-V1156 HydrophobicContact CD2-CB 4.37Å; F1104-V1156 HydrophobicContact CD2-CG1 4.23Å; F1104-V1156 HydrophobicContact CD2-CG2 3.96Å; F1104-V1156 HydrophobicContact CE2-CB 4.12Å; F1104-V1156 HydrophobicContact CE2-CG1 4.24Å; F1104-V1156 HydrophobicContact CE2-CG2 4.03Å; F1129-V1156 HydrophobicContact CB-CG1 4.19Å; F1129-V1156 HydrophobicContact CD1-CG1 3.55Å; F1129-V1156 HydrophobicContact CE1-CG1 4.29Å; F1129-V1156 HydrophobicContact CG-CG1 4.24Å; K1152-V1156 WeakPolarHBondContact O-CG2 3.46Å |
| 1157 | I | 84.3 | Confident | 69.8 | Low | 28 Ų | 28 | 67.6 Ų | 67.6 | 14% | 0.144 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.6 | 177.7 | -1.6 | 173.3 | 0 | 0 | 0 | 111.3 | T1090 V1091 N1092 A1130 D1132 | T1090-I1157 HydrophobicContact CG2-CB 4.47Å; T1090-I1157 HydrophobicContact CG2-CG2 3.4Å; V1091-I1157 WeakPolarHBondContact O-CA 3.2Å; V1091-I1157 WeakPolarHBondContact O-CG2 3.48Å; N1092-I1157 HydrophobicContact CB-CG2 4.44Å; A1130-I1157 HydrophobicContact CB-CD1 4.48Å; A1130-I1157 HydrophobicContact CB-CG1 4.29Å; A1130-I1157 PolarHBondContact N-O 3.2Å; A1130-I1157 PolarHBondContact O-N 2.83Å; D1132-I1157 HydrophobicContact CB-CD1 3.78Å; D1132-I1157 HydrophobicContact CB-CG1 3.94Å |
| 1158 | L | 88.3 | Confident | 72.2 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 145.5 | 163.8 | -68.5 | 105.2 | 0 | 0 | 0 | 110.2 | T1090 V1091 V1093 L1128 F1129 V1166 I1168 | T1090-L1158 WeakPolarHBondContact CA-O 3.42Å; V1091-L1158 PolarHBondContact N-O 3.14Å; V1091-L1158 PolarHBondContact O-N 3.37Å; V1093-L1158 HydrophobicContact CG2-CD1 3.56Å; L1128-L1158 HydrophobicContact CD1-CD2 4.23Å; L1128-L1158 HydrophobicContact CD2-CD2 4.2Å; L1128-L1158 HydrophobicContact CG-CD2 3.89Å; F1129-L1158 HydrophobicContact CD1-CD1 4.01Å; F1129-L1158 HydrophobicContact CD1-CD2 4.21Å; F1129-L1158 HydrophobicContact CD1-CG 4.02Å; F1129-L1158 HydrophobicContact CE1-CD1 4.07Å; F1129-L1158 HydrophobicContact CE1-CD2 4.2Å; F1129-L1158 HydrophobicContact CE1-CG 4.34Å; L1158-V1166 HydrophobicContact CD2-CG1 4.23Å; L1158-I1168 HydrophobicContact CD1-CD1 4.05Å; L1158-I1168 HydrophobicContact CD2-CD1 4Å; L1158-I1168 HydrophobicContact CD2-CG1 4.08Å |
| 1159 | F | 88.4 | Confident | 74.6 | Confident | 108 Ų | 108 | 53.9 Ų | 53.9 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 133.9 | 168.2 | 177.3 | -95.6 | 0 | 0 | 0 | 109.1 | E1088 K1161 | E1088-F1159 HydrophobicContact CB-CE2 4.01Å; E1088-F1159 HydrophobicContact CB-CZ 3.79Å; E1088-F1159 HydrophobicContact CG-CE2 4.47Å; E1088-F1159 HydrophobicContact CG-CZ 4.47Å; F1159-K1161 HydrophobicContact CE1-CG 3.93Å |
| 1160 | L | 88.1 | Confident | 77.1 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 125.1 | 179.5 | -57.2 | 176 | 0 | 0 | 0 | 110.8 | L1081 N1083 E1088 D1089 V1091 V1166 | L1081-L1160 HydrophobicContact CD2-CD1 3.92Å; L1081-L1160 HydrophobicContact CG-CD1 4.19Å; N1083-L1160 HydrophobicContact CB-CB 3.87Å; N1083-L1160 HydrophobicContact CB-CD1 4.03Å; N1083-L1160 PolarHBondContact ND2-O 3.05Å; E1088-L1160 WeakPolarHBondContact CA-O 3.17Å; D1089-L1160 PolarHBondContact N-O 2.87Å; D1089-L1160 PolarHBondContact O-N 3.47Å; V1091-L1160 HydrophobicContact CG2-CD1 3.73Å; V1091-L1160 HydrophobicContact CG2-CG 4.21Å; L1160-V1166 HydrophobicContact CD2-CB 4.05Å; L1160-V1166 HydrophobicContact CD2-CG2 3.54Å |
| 1161 | K | 87.4 | Confident | 79.4 | Confident | 98 Ų | 98 | 43.6 Ų | 43.6 | 43% | 0.426 | 22% | 0.217 | S | C | . | . | trans | -69.1 | 165.1 | 173.4 | -59.6 | 175 | -146.9 | 72.9 | 0 | 111.1 | N1083 F1159 N1163 E1164 | N1083-K1161 PolarHBondContact ND2-O 3.29Å; F1159-K1161 HydrophobicContact CE1-CG 3.93Å; K1161-N1163 PolarHBondContact O-N 3.33Å; K1161-E1164 HydrophobicContact CB-CB 4.01Å; K1161-E1164 VanDerWaalsContact CB-OE2 3.26Å; K1161-E1164 WeakPolarHBondContact CB-OE2 3.29Å; K1161-E1164 WeakPolarHBondContact CD-OE1 3.4Å; K1161-E1164 WeakPolarHBondContact CG-OE2 3.42Å; K1161-E1164 PolarHBondContact N-OE2 3.38Å; K1161-E1164 IonicContact NZ-OE1 2.77Å; K1161-E1164 PolarHBondContact NZ-OE1 3.43Å; K1161-E1164 IonicContact NZ-OE2 3.17Å; K1161-E1164 PolarHBondContact NZ-OE2 3.19Å; K1161-E1164 WeakPolarHBondContact O-CB 3.46Å; K1161-E1164 PolarHBondContact O-N 2.89Å | ||
| 1162 | P | 84.5 | Confident | 81.9 | Confident | 63 Ų | 63 | 40.2 Ų | 40.2 | 41% | 0.409 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 123.9 | 176.4 | -30.6 | 35.7 | 0 | 0 | 0 | 113.5 | E1164 | P1162-E1164 PolarHBondContact O-N 3.35Š|
| 1163 | N | 82.2 | Confident | 83.8 | Confident | 69 Ų | 69 | 35.2 Ų | 35.2 | 37% | 0.369 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 7.1 | -176.4 | -54 | -85.2 | 0 | 0 | 0 | 116.9 | K1082 N1083 F1085 N1086 K1161 | K1082-N1163 WeakPolarHBondContact CE-O 2.99Å; N1083-N1163 WeakPolarHBondContact O-CA 2.92Å; F1085-N1163 PolarHBondContact O-N 2.99Å; N1086-N1163 PolarHBondContact OD1-ND2 3.27Å; K1161-N1163 PolarHBondContact O-N 3.33Å |
| 1164 | E | 89.4 | Confident | 85.5 | Confident | 55 Ų | 55 | 33.2 Ų | 33.2 | 26% | 0.257 | 17% | 0.17 | S | C | . | . | trans | -62.7 | 150.2 | -176.7 | -169.1 | 157.9 | -115.7 | 0 | 0 | 111.8 | K1082 N1083 K1161 P1162 V1166 | K1082-E1164 WeakPolarHBondContact CA-O 3.42Å; N1083-E1164 PolarHBondContact N-O 3.19Å; K1161-E1164 HydrophobicContact CB-CB 4.01Å; K1161-E1164 VanDerWaalsContact CB-OE2 3.26Å; K1161-E1164 WeakPolarHBondContact CB-OE2 3.29Å; K1161-E1164 WeakPolarHBondContact CD-OE1 3.4Å; K1161-E1164 WeakPolarHBondContact CG-OE2 3.42Å; K1161-E1164 PolarHBondContact N-OE2 3.38Å; K1161-E1164 IonicContact NZ-OE1 2.77Å; K1161-E1164 PolarHBondContact NZ-OE1 3.43Å; K1161-E1164 IonicContact NZ-OE2 3.17Å; K1161-E1164 PolarHBondContact NZ-OE2 3.19Å; K1161-E1164 WeakPolarHBondContact O-CB 3.46Å; K1161-E1164 PolarHBondContact O-N 2.89Å; P1162-E1164 PolarHBondContact O-N 3.35Å; E1164-V1166 HydrophobicContact CG-CG2 4.38Å | ||
| 1165 | T | 88 | Confident | 86.7 | Confident | 65 Ų | 65 | 31.8 Ų | 31.8 | 40% | 0.399 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 116.5 | -177.1 | -56.8 | 0 | 0 | 0 | 0 | 109.2 | Q1080 L1081 K1082 | Q1080-T1165 HydrophobicContact CG-CG2 3.4Å; L1081-T1165 CarbonylContact O-C 3.56Å; L1081-T1165 WeakPolarHBondContact O-CA 3.4Å; K1082-T1165 HydrophobicContact CB-CG2 4.18Å; K1082-T1165 WeakPolarHBondContact CG-OG1 3.41Å |
| 1166 | V | 89.9 | Confident | 87.3 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 5% | 0.048 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 147.1 | -170.5 | 165.8 | 0 | 0 | 0 | 0 | 109.7 | Q1080 L1081 L1128 L1158 L1160 E1164 I1168 | Q1080-V1166 WeakPolarHBondContact CA-O 3.33Å; L1081-V1166 PolarHBondContact N-O 2.95Å; L1081-V1166 PolarHBondContact O-N 3.03Å; L1128-V1166 HydrophobicContact CD1-CG1 3.7Å; L1128-V1166 HydrophobicContact CD2-CG1 3.9Å; L1128-V1166 HydrophobicContact CG-CG1 4.32Å; L1158-V1166 HydrophobicContact CD2-CG1 4.23Å; L1160-V1166 HydrophobicContact CD2-CB 4.05Å; L1160-V1166 HydrophobicContact CD2-CG2 3.54Å; E1164-V1166 HydrophobicContact CG-CG2 4.38Å; V1166-I1168 HydrophobicContact CG1-CG1 4.06Å |
| 1167 | L | 90.6 | Very high | 87.2 | Confident | 36 Ų | 36 | 34.7 Ų | 34.7 | 19% | 0.188 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 115.8 | 170.6 | -60.1 | -174.5 | 0 | 0 | 0 | 108.9 | L917 E1078 Q1080 T1122 P1169 | L917-L1167 HydrophobicContact CD1-CD1 4.4Å; L917-L1167 HydrophobicContact CD1-CD2 3.64Å; E1078-L1167 HydrophobicContact CB-CB 4.36Å; Q1080-L1167 HydrophobicContact CB-CD2 3.89Å; Q1080-L1167 HydrophobicContact CG-CD2 4.09Å; T1122-L1167 HydrophobicContact CG2-CD1 4.07Å; L1167-P1169 VanDerWaalsContact O-CD 3.31Å; L1167-P1169 WeakPolarHBondContact O-CD 3.46Å |
| 1168 | I | 89.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 109.8 | -177.6 | -62.3 | -177 | 0 | 0 | 0 | 108.6 | E1078 Y1079 L1081 F1104 F1129 L1158 V1166 M1170 F1214 | E1078-I1168 WeakPolarHBondContact CA-O 3.34Å; Y1079-I1168 PolarHBondContact N-O 2.84Å; Y1079-I1168 PolarHBondContact O-N 3.34Å; L1081-I1168 HydrophobicContact CB-CD1 3.72Å; L1081-I1168 HydrophobicContact CB-CG1 4.35Å; L1081-I1168 HydrophobicContact CD2-CD1 3.7Å; L1081-I1168 HydrophobicContact CG-CD1 4.35Å; F1104-I1168 HydrophobicContact CD1-CG2 3.89Å; F1104-I1168 HydrophobicContact CE1-CG2 3.97Å; F1129-I1168 HydrophobicContact CE1-CG2 3.94Å; F1129-I1168 HydrophobicContact CZ-CG2 3.89Å; L1158-I1168 HydrophobicContact CD1-CD1 4.05Å; L1158-I1168 HydrophobicContact CD2-CD1 4Å; L1158-I1168 HydrophobicContact CD2-CG1 4.08Å; V1166-I1168 HydrophobicContact CG1-CG1 4.06Å; I1168-M1170 HydrophobicContact CG2-CG 4.08Å; I1168-M1170 PolarHBondContact O-N 3.35Å; I1168-F1214 HydrophobicContact CD1-CD1 4.19Å; I1168-F1214 HydrophobicContact CD1-CE1 3.52Å; I1168-F1214 HydrophobicContact CD1-CZ 4.25Å |
| 1169 | P | 91.2 | Very high | 84.5 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 7% | 0.065 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 121.4 | -178.7 | 30.6 | -35.2 | 0 | 0 | 0 | 111.1 | F1076 V1105 V1111 F1129 L1167 | F1076-P1169 HydrophobicContact CE2-CB 3.71Å; F1076-P1169 HydrophobicContact CZ-CB 3.96Å; V1105-P1169 HydrophobicContact CB-CB 4.21Å; V1105-P1169 PolarHBondContact N-O 2.98Å; V1111-P1169 HydrophobicContact CG1-CB 4.33Å; V1111-P1169 HydrophobicContact CG2-CB 4.22Å; V1111-P1169 HydrophobicContact CG2-CG 4.18Å; F1129-P1169 HydrophobicContact CE2-CG 4.06Å; F1129-P1169 HydrophobicContact CZ-CG 4.27Å; L1167-P1169 VanDerWaalsContact O-CD 3.31Å; L1167-P1169 WeakPolarHBondContact O-CD 3.46Å |
| 1170 | M | 91.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 140.9 | -179.2 | -57.4 | -165 | 75.2 | 0 | 0 | 111.1 | F1076 F1077 I1095 L1102 S1103 F1104 I1168 V1212 | F1076-M1170 WeakPolarHBondContact CD2-O 3.46Å; F1077-M1170 HydrophobicContact CD2-CB 4.2Å; F1077-M1170 HydrophobicContact CE1-CB 4.12Å; F1077-M1170 HydrophobicContact CE2-CB 3.62Å; F1077-M1170 HydrophobicContact CE2-CG 4.09Å; F1077-M1170 HydrophobicContact CE2-SD 3.91Å; F1077-M1170 HydrophobicContact CZ-CB 3.57Å; F1077-M1170 HydrophobicContact CZ-CG 4.37Å; F1077-M1170 HydrophobicContact CZ-SD 4.18Å; F1077-M1170 PolarHBondContact N-O 2.84Å; F1077-M1170 PolarHBondContact O-N 3.37Å; I1095-M1170 HydrophobicContact CD1-CE 4.06Å; L1102-M1170 HydrophobicContact CD1-CE 4.39Å; L1102-M1170 HydrophobicContact CD2-CE 3.58Å; L1102-M1170 HydrophobicContact CG-CE 3.91Å; S1103-M1170 WeakPolarHBondContact O-CA 3.29Å; F1104-M1170 HydrophobicContact CD1-CE 3.92Å; F1104-M1170 HydrophobicContact CD1-CG 4.1Å; F1104-M1170 HydrophobicContact CD1-SD 4.43Å; F1104-M1170 HydrophobicContact CE1-CE 3.54Å; F1104-M1170 HydrophobicContact CE1-CG 4.34Å; F1104-M1170 HydrophobicContact CE1-SD 4.08Å; F1104-M1170 HydrophobicContact CZ-CE 4.11Å; I1168-M1170 HydrophobicContact CG2-CG 4.08Å; I1168-M1170 PolarHBondContact O-N 3.35Å; M1170-V1212 HydrophobicContact CE-CG1 4.34Å; M1170-V1212 HydrophobicContact CE-CG2 4.12Å |
| 1171 | K | 91.5 | Very high | 80.6 | Confident | 22 Ų | 22 | 42.3 Ų | 42.3 | 10% | 0.096 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144.4 | 172.2 | 71.4 | 172 | -176.7 | 168.2 | 0 | 111.5 | T1074 E1075 L1102 S1103 V1105 E1110 L1114 E1173 | T1074-K1171 HydrophobicContact CG2-CB 3.87Å; T1074-K1171 HydrophobicContact CG2-CD 4.17Å; T1074-K1171 HydrophobicContact CG2-CG 4.48Å; E1075-K1171 CarbonylContact O-C 3.5Å; E1075-K1171 WeakPolarHBondContact O-CA 3.4Å; L1102-K1171 WeakPolarHBondContact CD1-O 3.38Å; S1103-K1171 PolarHBondContact N-O 2.98Å; S1103-K1171 PolarHBondContact O-N 3.08Å; S1103-K1171 VanDerWaalsContact OG-CE 3.29Å; S1103-K1171 WeakPolarHBondContact OG-CE 3.37Å; S1103-K1171 VanDerWaalsContact OG-CG 3.28Å; S1103-K1171 WeakPolarHBondContact OG-CG 3.38Å; V1105-K1171 HydrophobicContact CG2-CB 3.83Å; V1105-K1171 HydrophobicContact CG2-CD 4.25Å; V1105-K1171 HydrophobicContact CG2-CG 3.91Å; E1110-K1171 WeakPolarHBondContact OE1-CD 3.21Å; E1110-K1171 VanDerWaalsContact OE1-CE 3.32Å; E1110-K1171 WeakPolarHBondContact OE1-CE 3.38Å; E1110-K1171 IonicContact OE1-NZ 2.72Å; E1110-K1171 PolarHBondContact OE1-NZ 3.19Å; L1114-K1171 HydrophobicContact CD1-CB 4.4Å; K1171-E1173 HydrophobicContact CD-CG 4.11Å; K1171-E1173 WeakPolarHBondContact CE-OE1 3.46Å; K1171-E1173 VanDerWaalsContact CE-OE2 3.26Å; K1171-E1173 WeakPolarHBondContact CE-OE2 3.38Å; K1171-E1173 HydrophobicContact CG-CG 4.39Å; K1171-E1173 IonicContact NZ-OE1 3.35Å; K1171-E1173 PolarHBondContact NZ-OE1 3.02Å; K1171-E1173 IonicContact NZ-OE2 3.53Å; K1171-E1173 PolarHBondContact NZ-OE2 3.01Å |
| 1172 | Y | 91.1 | Very high | 78.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 121.8 | 171.2 | -172.9 | -99.1 | 0 | 0 | 0 | 110 | T1069 T1074 E1075 L1102 E1174 I1210 I1230 | T1069-Y1172 HydrophobicContact CG2-CD1 4.1Å; T1069-Y1172 HydrophobicContact CG2-CE1 3.97Å; T1074-Y1172 CarbonylContact C-O 3.53Å; T1074-Y1172 VanDerWaalsContact CA-O 3.25Å; T1074-Y1172 WeakPolarHBondContact CA-O 3.11Å; E1075-Y1172 PolarHBondContact N-O 2.87Å; E1075-Y1172 PolarHBondContact O-N 3.4Å; L1102-Y1172 HydrophobicContact CB-CD2 4.16Å; L1102-Y1172 HydrophobicContact CD1-CD2 4Å; Y1172-E1174 HydrophobicContact CE1-CB 4.11Å; Y1172-E1174 PolarHBondContact OH-OE2 2.94Å; Y1172-I1210 HydrophobicContact CD2-CD1 4.24Å; Y1172-I1210 HydrophobicContact CE2-CD1 3.59Å; Y1172-I1230 HydrophobicContact CD1-CG2 4.3Å; Y1172-I1230 HydrophobicContact CD2-CD1 3.98Å; Y1172-I1230 HydrophobicContact CE1-CG2 3.65Å; Y1172-I1230 HydrophobicContact CE2-CD1 3.59Å; Y1172-I1230 HydrophobicContact CE2-CG1 4.4Å |
| 1173 | E | 90 | Very high | 76.9 | Confident | 38 Ų | 38 | 45.2 Ų | 45.2 | 18% | 0.178 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 106.3 | -176.7 | -61.7 | -178.9 | 116.8 | 0 | 0 | 110 | T1074 S1101 K1171 A1175 R1285 | T1074-E1173 HydrophobicContact CG2-CG 4.05Å; S1101-E1173 WeakPolarHBondContact CB-O 3.34Å; S1101-E1173 PolarHBondContact O-N 3.28Å; S1101-E1173 PolarHBondContact OG-O 2.99Å; K1171-E1173 HydrophobicContact CD-CG 4.11Å; K1171-E1173 WeakPolarHBondContact CE-OE1 3.46Å; K1171-E1173 VanDerWaalsContact CE-OE2 3.26Å; K1171-E1173 WeakPolarHBondContact CE-OE2 3.38Å; K1171-E1173 HydrophobicContact CG-CG 4.39Å; K1171-E1173 IonicContact NZ-OE1 3.35Å; K1171-E1173 PolarHBondContact NZ-OE1 3.02Å; K1171-E1173 IonicContact NZ-OE2 3.53Å; K1171-E1173 PolarHBondContact NZ-OE2 3.01Å; E1173-A1175 PolarHBondContact O-N 2.83Å; E1173-R1285 IonicContact OE1-CZ 2.64Å; E1173-R1285 IonicContact OE1-NH2 2.63Å; E1173-R1285 PolarHBondContact OE1-NH2 3.21Å |
| 1174 | E | 88.4 | Confident | 75.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -86.1 | 114.8 | 178.4 | -173.2 | 52.4 | -103.7 | 0 | 0 | 111.3 | T1069 G1072 Y1172 T1176 R1208 I1232 | T1069-E1174 HydrophobicContact CG2-CB 3.91Å; T1069-E1174 HydrophobicContact CG2-CG 4.31Å; G1072-E1174 PolarHBondContact N-O 2.97Å; Y1172-E1174 HydrophobicContact CE1-CB 4.11Å; Y1172-E1174 PolarHBondContact OH-OE2 2.94Å; E1174-T1176 WeakPolarHBondContact OE1-CB 3.35Å; E1174-T1176 PolarHBondContact OE1-N 3.45Å; E1174-T1176 PolarHBondContact OE1-OG1 2.89Å; E1174-R1208 IonicContact OE1-NH1 2.73Å; E1174-R1208 PolarHBondContact OE1-NH1 2.81Å; E1174-R1208 VanDerWaalsContact OE1-NH1 3.17Å; E1174-R1208 IonicContact OE2-NH1 3.77Å; E1174-R1208 PolarHBondContact OE2-NH1 2.81Å; E1174-I1232 HydrophobicContact CG-CG2 4.15Å; E1174-I1232 WeakPolarHBondContact OE2-CD1 3.43Å; E1174-I1232 WeakPolarHBondContact OE2-CG1 3.48Å | ||
| 1175 | A | 82.8 | Confident | 73.3 | Confident | 35 Ų | 35 | 46.7 Ų | 46.7 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | trans | -122.3 | -1.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1071 E1173 S1287 | F1071-A1175 WeakPolarHBondContact CE2-O 3.45Å; E1173-A1175 PolarHBondContact O-N 2.83Å; A1175-S1287 WeakPolarHBondContact O-CA 3.47Å; A1175-S1287 WeakPolarHBondContact O-CB 3.32Å | ||
| 1176 | T | 79.2 | Confident | 71.2 | Confident | 47 Ų | 47 | 44.7 Ų | 44.7 | 29% | 0.288 | 23% | 0.232 | S | C | . | . | trans | -86.4 | 138.2 | -178.4 | 57.5 | 0 | 0 | 0 | 0 | 113 | E1174 R1208 | E1174-T1176 WeakPolarHBondContact OE1-CB 3.35Å; E1174-T1176 PolarHBondContact OE1-N 3.45Å; E1174-T1176 PolarHBondContact OE1-OG1 2.89Å; T1176-R1208 PolarHBondContact OG1-NH1 3.28Å; T1176-R1208 PolarHBondContact OG1-NH2 2.54Å | ||
| 1177 | M | 74.9 | Confident | 68.7 | Low | 43 Ų | 43 | 50.7 Ų | 50.7 | 21% | 0.212 | 27% | 0.268 | C | S | . | . | trans | -78.5 | 122.7 | 174.7 | 169.5 | 172.9 | 164.9 | 0 | 0 | 109.9 | Q1179 E1318 L1320 Y1337 | M1177-Q1179 PolarHBondContact O-N 3.27Å; M1177-E1318 HydrophobicContact CE-CB 4.13Å; M1177-L1320 HydrophobicContact CB-CD1 4.04Å; M1177-L1320 HydrophobicContact CB-CG 4.49Å; M1177-L1320 HydrophobicContact CG-CD1 3.9Å; M1177-L1320 HydrophobicContact CG-CG 4.21Å; M1177-L1320 HydrophobicContact SD-CG 4.36Å; M1177-Y1337 HydrophobicContact CE-CE2 4.05Å | ||
| 1178 | F | 63.9 | Low | 66.2 | Low | 40 Ų | 40 | 51.1 Ų | 51.1 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | trans | -75.6 | 105.6 | 176.7 | -171.9 | -122.7 | 0 | 0 | 0 | 110 | C1180 V1204 M1206 P1234 | F1178-C1180 HydrophobicContact CD1-CB 3.65Å; F1178-C1180 HydrophobicContact CE1-CB 3.48Å; F1178-C1180 VanDerWaalsContact CE1-CB 3.48Å; F1178-C1180 VanDerWaalsContact CE1-SG 3.58Å; F1178-C1180 HydrophobicContact CZ-CB 4.28Å; F1178-C1180 PolarHBondContact O-N 2.96Å; F1178-V1204 HydrophobicContact CE1-CG1 4.48Å; F1178-V1204 WeakPolarHBondContact CE1-O 3.39Å; F1178-V1204 VanDerWaalsContact CZ-O 3.24Å; F1178-V1204 WeakPolarHBondContact CZ-O 3.35Å; F1178-M1206 HydrophobicContact CD2-CB 4.08Å; F1178-M1206 HydrophobicContact CE2-CB 3.81Å; F1178-P1234 HydrophobicContact CD1-CB 4.35Å; F1178-P1234 HydrophobicContact CD1-CG 3.91Å; F1178-P1234 HydrophobicContact CE1-CG 3.99Å | ||
| 1179 | Q | 52.5 | Low | 63.8 | Low | 171 Ų | 171 | 56.9 Ų | 56.9 | 80% | 0.799 | 31% | 0.313 | S | S | * | . | trans | -72.1 | 66.7 | 178.1 | -74.4 | -172.5 | -35.5 | 0 | 0 | 112.3 | M1177 | M1177-Q1179 PolarHBondContact O-N 3.27Š| ||
| 1180 | C | 47.2 | Very low | 61.4 | Low | 18 Ų | 18 | 65 Ų | 65 | 12% | 0.122 | 34% | 0.342 | C | S | . | . | trans | -99.6 | 46.5 | 169.6 | -128.2 | 0 | 0 | 0 | 0 | 111.9 | P740 F1178 K1182 | P740-C1180 WeakPolarHBondContact CB-O 3.36Å; P740-C1180 HydrophobicContact CG-CB 4.45Å; F1178-C1180 HydrophobicContact CD1-CB 3.65Å; F1178-C1180 HydrophobicContact CE1-CB 3.48Å; F1178-C1180 VanDerWaalsContact CE1-CB 3.48Å; F1178-C1180 VanDerWaalsContact CE1-SG 3.58Å; F1178-C1180 HydrophobicContact CZ-CB 4.28Å; F1178-C1180 PolarHBondContact O-N 2.96Å; C1180-K1182 PolarHBondContact O-N 2.95Å | ||
| 1181 | T | 46 | Very low | 59 | Low | 70 Ų | 70 | 66.9 Ų | 66.9 | 43% | 0.429 | 35% | 0.352 | S | S | . | . | trans | -75.6 | 44.5 | 161.8 | 41.6 | 0 | 0 | 0 | 0 | 111.2 | Q1183 | T1181-Q1183 PolarHBondContact O-N 3.47Š| ||
| 1182 | K | 44.9 | Very low | 56.9 | Low | 110 Ų | 110 | 66.3 Ų | 66.3 | 48% | 0.478 | 35% | 0.35 | S | S | . | . | trans | -70.5 | 87 | 162.9 | -87.4 | -171.1 | 172.5 | -177.1 | 0 | 107.6 | C1180 Y1184 F1195 | C1180-K1182 PolarHBondContact O-N 2.95Å; K1182-Y1184 PolarHBondContact O-N 2.88Å; K1182-Y1184 VanDerWaalsContact O-N 3.11Å; K1182-F1195 HydrophobicContact CD-CE1 4.47Å | ||
| 1183 | Q | 50.1 | Low | 54.4 | Low | 113 Ų | 113 | 70.6 Ų | 70.6 | 53% | 0.528 | 37% | 0.369 | S | S | . | . | trans | -53.6 | 117.7 | 173.7 | -63.8 | -176 | -79.2 | 0 | 0 | 109 | V743 T1181 D1185 | V743-Q1183 HydrophobicContact CB-CB 4.47Å; V743-Q1183 HydrophobicContact CB-CG 4.4Å; V743-Q1183 HydrophobicContact CG2-CG 4.01Å; T1181-Q1183 PolarHBondContact O-N 3.47Å; Q1183-D1185 PolarHBondContact O-N 2.93Å | ||
| 1184 | Y | 49.1 | Very low | 51.9 | Low | 56 Ų | 56 | 74.9 Ų | 74.9 | 22% | 0.22 | 39% | 0.389 | C | S | . | . | trans | -88.9 | 86.4 | 177.7 | -178 | -93.1 | 0 | 0 | 0 | 108.8 | V743 K1182 G1186 R1190 L1192 | V743-Y1184 VanDerWaalsContact O-O 3.1Å; K1182-Y1184 PolarHBondContact O-N 2.88Å; K1182-Y1184 VanDerWaalsContact O-N 3.11Å; Y1184-G1186 PolarHBondContact O-N 3.05Å; Y1184-R1190 PolarHBondContact OH-O 2.94Å; Y1184-L1192 HydrophobicContact CD1-CD1 4.04Å; Y1184-L1192 HydrophobicContact CD2-CD1 4.01Å; Y1184-L1192 HydrophobicContact CD2-CG 4.36Å; Y1184-L1192 HydrophobicContact CE1-CD1 3.7Å; Y1184-L1192 HydrophobicContact CE2-CD1 3.65Å; Y1184-L1192 HydrophobicContact CE2-CG 4.15Å; Y1184-L1192 HydrophobicContact CG-CD1 4.19Å; Y1184-L1192 VanDerWaalsContact CZ-CD1 3.5Å | ||
| 1185 | D | 46.9 | Very low | 49.6 | Very low | 99 Ų | 99 | 76.8 Ų | 76.8 | 53% | 0.529 | 40% | 0.397 | S | S | . | . | trans | -61 | -4.4 | -173.2 | -70 | -22.3 | 0 | 0 | 0 | 115.2 | S745 Q1183 V1187 | S745-D1185 WeakPolarHBondContact CB-O 3.19Å; Q1183-D1185 PolarHBondContact O-N 2.93Å; D1185-V1187 HydrophobicContact CB-CG2 4.15Å; D1185-V1187 PolarHBondContact O-N 2.99Å | ||
| 1186 | G | 43.1 | Very low | 47.5 | Very low | 22 Ų | 22 | 76.7 Ų | 76.7 | 23% | 0.227 | 39% | 0.393 | C | S | . | . | trans | 68.4 | 13.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y797 Y1184 G1188 | Y797-G1186 WeakPolarHBondContact OH-CA 3.43Å; Y1184-G1186 PolarHBondContact O-N 3.05Å; G1186-G1188 VanDerWaalsContact C-N 3.34Å; G1186-G1188 PolarHBondContact O-N 3Å | ||
| 1187 | V | 38.3 | Very low | 45.4 | Very low | 134 Ų | 134 | 77.6 Ų | 77.6 | 81% | 0.812 | 40% | 0.402 | S | S | * | . | trans | -79.7 | 82.1 | -176.9 | -174.2 | 0 | 0 | 0 | 0 | 110.7 | D1185 | D1185-V1187 HydrophobicContact CB-CG2 4.15Å; D1185-V1187 PolarHBondContact O-N 2.99Å | ||
| 1188 | G | 38.3 | Very low | 43.6 | Very low | 46 Ų | 46 | 77.9 Ų | 77.9 | 47% | 0.474 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 118.8 | 156.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G1186 R1190 | G1186-G1188 VanDerWaalsContact C-N 3.34Å; G1186-G1188 PolarHBondContact O-N 3Å; G1188-R1190 PolarHBondContact O-N 3.11Å |
| 1189 | D | 39 | Very low | 42.4 | Very low | 121 Ų | 121 | 83.6 Ų | 83.6 | 65% | 0.647 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -72.3 | 23.4 | -179.4 | -121.9 | 26.7 | 0 | 0 | 0 | 113.4 | N1191 | D1189-N1191 PolarHBondContact O-N 2.65Å; D1189-N1191 PolarHBondContact O-ND2 3.43Å; D1189-N1191 VanDerWaalsContact O-ND2 3.1Å |
| 1190 | R | 40.2 | Very low | 41.7 | Very low | 180 Ų | 180 | 84.4 Ų | 84.4 | 68% | 0.679 | 44% | 0.442 | S | S | * | . | trans | -74.5 | 69.7 | 168.1 | -67.6 | -171.6 | 179.8 | -151.5 | 2.9 | 109.6 | Y1184 G1188 E1194 | Y1184-R1190 PolarHBondContact OH-O 2.94Å; G1188-R1190 PolarHBondContact O-N 3.11Å; R1190-E1194 IonicContact NH1-OE1 3.9Å | ||
| 1191 | N | 41.5 | Very low | 41.3 | Very low | 39 Ų | 39 | 90.6 Ų | 90.6 | 21% | 0.209 | 47% | 0.474 | C | S | . | . | trans | -39.1 | 150 | 166.9 | -63.5 | -69.4 | 0 | 0 | 0 | 111.2 | V800 D1189 F1193 | V800-N1191 WeakPolarHBondContact CB-OD1 3.33Å; D1189-N1191 PolarHBondContact O-N 2.65Å; D1189-N1191 PolarHBondContact O-ND2 3.43Å; D1189-N1191 VanDerWaalsContact O-ND2 3.1Å; N1191-F1193 HydrophobicContact CB-CD2 3.93Å; N1191-F1193 HydrophobicContact CB-CE2 4.25Å; N1191-F1193 PolarHBondContact O-N 2.92Å | ||
| 1192 | L | 48.1 | Very low | 41.2 | Very low | 10 Ų | 10 | 90 Ų | 90 | 5% | 0.052 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -59.9 | 14.5 | -167.5 | -94.4 | 83.4 | 0 | 0 | 0 | 118.1 | F739 F801 Y1184 E1194 F1195 | F739-L1192 HydrophobicContact CD1-CD2 3.71Å; F739-L1192 HydrophobicContact CE1-CD2 4.13Å; F801-L1192 HydrophobicContact CD1-CD2 4.09Å; F801-L1192 HydrophobicContact CE1-CD2 4.32Å; Y1184-L1192 HydrophobicContact CD1-CD1 4.04Å; Y1184-L1192 HydrophobicContact CD2-CD1 4.01Å; Y1184-L1192 HydrophobicContact CD2-CG 4.36Å; Y1184-L1192 HydrophobicContact CE1-CD1 3.7Å; Y1184-L1192 HydrophobicContact CE2-CD1 3.65Å; Y1184-L1192 HydrophobicContact CE2-CG 4.15Å; Y1184-L1192 HydrophobicContact CG-CD1 4.19Å; Y1184-L1192 VanDerWaalsContact CZ-CD1 3.5Å; L1192-E1194 VanDerWaalsContact C-N 3.29Å; L1192-E1194 PolarHBondContact O-N 2.96Å; L1192-E1194 VanDerWaalsContact O-N 3.17Å; L1192-F1195 HydrophobicContact CB-CD2 4.24Å; L1192-F1195 HydrophobicContact CD2-CD2 3.9Å; L1192-F1195 HydrophobicContact CD2-CE2 4.1Å; L1192-F1195 HydrophobicContact CG-CD2 3.95Å; L1192-F1195 HydrophobicContact CG-CE2 4.14Å; L1192-F1195 PolarHBondContact O-N 2.92Å; L1192-F1195 VanDerWaalsContact O-N 3.17Å |
| 1193 | F | 38.4 | Very low | 41.2 | Very low | 90 Ų | 90 | 87.2 Ų | 87.2 | 40% | 0.395 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -45.8 | -39.7 | 177.1 | -83.8 | -73.6 | 0 | 0 | 0 | 116 | N1191 F1195 T1196 S1197 | N1191-F1193 HydrophobicContact CB-CD2 3.93Å; N1191-F1193 HydrophobicContact CB-CE2 4.25Å; N1191-F1193 PolarHBondContact O-N 2.92Å; F1193-F1195 PolarHBondContact O-N 2.98Å; F1193-T1196 PolarHBondContact O-N 3.01Å; F1193-T1196 PolarHBondContact O-OG1 3.46Å; F1193-S1197 PolarHBondContact O-N 2.83Å; F1193-S1197 PolarHBondContact O-OG 3.41Å |
| 1194 | E | 38.1 | Very low | 41.3 | Very low | 129 Ų | 129 | 82.8 Ų | 82.8 | 60% | 0.603 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -64 | -6.2 | -176.5 | -71.4 | -177.9 | 150.9 | 0 | 0 | 113.4 | R1190 L1192 | R1190-E1194 IonicContact NH1-OE1 3.9Å; L1192-E1194 VanDerWaalsContact C-N 3.29Å; L1192-E1194 PolarHBondContact O-N 2.96Å; L1192-E1194 VanDerWaalsContact O-N 3.17Å |
| 1195 | F | 39.7 | Very low | 41.6 | Very low | 39 Ų | 39 | 83.6 Ų | 83.6 | 17% | 0.171 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -94.7 | -2 | 172.5 | -65.3 | -56.8 | 0 | 0 | 0 | 115.1 | P740 K1182 L1192 F1193 N1202 P1203 V1204 | P740-F1195 HydrophobicContact CG-CZ 4.48Å; K1182-F1195 HydrophobicContact CD-CE1 4.47Å; L1192-F1195 HydrophobicContact CB-CD2 4.24Å; L1192-F1195 HydrophobicContact CD2-CD2 3.9Å; L1192-F1195 HydrophobicContact CD2-CE2 4.1Å; L1192-F1195 HydrophobicContact CG-CD2 3.95Å; L1192-F1195 HydrophobicContact CG-CE2 4.14Å; L1192-F1195 PolarHBondContact O-N 2.92Å; L1192-F1195 VanDerWaalsContact O-N 3.17Å; F1193-F1195 PolarHBondContact O-N 2.98Å; F1195-N1202 PolarHBondContact O-ND2 2.98Å; F1195-N1202 PolarHBondContact O-OD1 3.38Å; F1195-N1202 VanDerWaalsContact O-OD1 3.11Å; F1195-P1203 HydrophobicContact CD1-CG 3.99Å; F1195-P1203 HydrophobicContact CE1-CG 3.97Å; F1195-V1204 HydrophobicContact CB-CG2 3.95Å; F1195-V1204 HydrophobicContact CD1-CG2 3.29Å; F1195-V1204 HydrophobicContact CE1-CG2 4.05Å; F1195-V1204 HydrophobicContact CG-CG2 3.95Å |
| 1196 | T | 38.3 | Very low | 42.6 | Very low | 33 Ų | 33 | 83.3 Ų | 83.3 | 20% | 0.202 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | -38.1 | 174.9 | 60.3 | 0 | 0 | 0 | 0 | 113.9 | Y807 F1193 N1202 | Y807-T1196 WeakPolarHBondContact CE1-O 3.27Å; F1193-T1196 PolarHBondContact O-N 3.01Å; F1193-T1196 PolarHBondContact O-OG1 3.46Å; T1196-N1202 PolarHBondContact O-ND2 2.83Å |
| 1197 | S | 35.6 | Very low | 44.1 | Very low | 67 Ų | 67 | 86.9 Ų | 86.9 | 47% | 0.469 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -86.9 | -13.3 | -160.3 | 63.9 | 0 | 0 | 0 | 0 | 117 | F1193 | F1193-S1197 PolarHBondContact O-N 2.83Å; F1193-S1197 PolarHBondContact O-OG 3.41Å |
| 1198 | S | 36.9 | Very low | 46.3 | Very low | 49 Ų | 49 | 82.8 Ų | 82.8 | 34% | 0.343 | 42% | 0.424 | S | S | . | . | trans | -94.4 | 126.3 | 178.2 | 54.2 | 0 | 0 | 0 | 0 | 111.6 | N1202 | S1198-N1202 WeakPolarHBondContact O-CB 3.5Š| ||
| 1199 | I | 39.2 | Very low | 48.7 | Very low | 160 Ų | 160 | 84.4 Ų | 84.4 | 82% | 0.821 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -81.2 | -25.5 | -173.9 | -70.1 | 174.8 | 0 | 0 | 0 | 112.7 | ||
| 1200 | E | 37.3 | Very low | 51.1 | Low | 188 Ų | 188 | 78.8 Ų | 78.8 | 88% | 0.879 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -104.9 | -23.8 | -166.7 | -58.7 | -169.8 | 132.5 | 0 | 0 | 114.9 | ||
| 1201 | D | 39 | Very low | 53.4 | Low | 148 Ų | 148 | 73 Ų | 73 | 79% | 0.791 | 38% | 0.375 | S | S | * | . | trans | -132.4 | 28 | -171.2 | -100.3 | -41.1 | 0 | 0 | 0 | 113.5 | P1203 | D1201-P1203 VanDerWaalsContact O-CD 3.23Å; D1201-P1203 WeakPolarHBondContact O-CD 3.34Å | ||
| 1202 | N | 42.6 | Very low | 55.7 | Low | 56 Ų | 56 | 71.1 Ų | 71.1 | 30% | 0.299 | 37% | 0.365 | S | S | . | . | trans | -72.2 | 108.4 | -171.5 | -157.3 | -29.9 | 0 | 0 | 0 | 112.3 | F1195 T1196 S1198 V1204 | F1195-N1202 PolarHBondContact O-ND2 2.98Å; F1195-N1202 PolarHBondContact O-OD1 3.38Å; F1195-N1202 VanDerWaalsContact O-OD1 3.11Å; T1196-N1202 PolarHBondContact O-ND2 2.83Å; S1198-N1202 WeakPolarHBondContact O-CB 3.5Å; N1202-V1204 PolarHBondContact O-N 2.83Å | ||
| 1203 | P | 45.9 | Very low | 57.6 | Low | 53 Ų | 53 | 72 Ų | 72 | 34% | 0.344 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 10.9 | -159.2 | 35.8 | -38.8 | 0 | 0 | 0 | 114.6 | F1195 D1201 | F1195-P1203 HydrophobicContact CD1-CG 3.99Å; F1195-P1203 HydrophobicContact CE1-CG 3.97Å; D1201-P1203 VanDerWaalsContact O-CD 3.23Å; D1201-P1203 WeakPolarHBondContact O-CD 3.34Å |
| 1204 | V | 51.8 | Low | 60 | Low | 19 Ų | 19 | 67.7 Ų | 67.7 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -11.6 | -169.6 | -164.5 | 0 | 0 | 0 | 0 | 113 | F1178 F1195 N1202 P1234 | F1178-V1204 HydrophobicContact CE1-CG1 4.48Å; F1178-V1204 WeakPolarHBondContact CE1-O 3.39Å; F1178-V1204 VanDerWaalsContact CZ-O 3.24Å; F1178-V1204 WeakPolarHBondContact CZ-O 3.35Å; F1195-V1204 HydrophobicContact CB-CG2 3.95Å; F1195-V1204 HydrophobicContact CD1-CG2 3.29Å; F1195-V1204 HydrophobicContact CE1-CG2 4.05Å; F1195-V1204 HydrophobicContact CG-CG2 3.95Å; N1202-V1204 PolarHBondContact O-N 2.83Å; V1204-P1234 HydrophobicContact CG1-CG 3.67Å |
| 1205 | Q | 56.6 | Low | 62.4 | Low | 74 Ų | 74 | 66.5 Ų | 66.5 | 35% | 0.346 | 34% | 0.343 | S | S | . | . | trans | -115.8 | 117.6 | 174.7 | -70.5 | -176.5 | 33.9 | 0 | 0 | 110.9 | K1207 H1231 I1232 Q1233 | Q1205-K1207 PolarHBondContact O-N 3.19Å; Q1205-H1231 PolarHBondContact OE1-ND1 2.85Å; Q1205-I1232 WeakPolarHBondContact CA-O 3.49Å; Q1205-Q1233 HydrophobicContact CG-CG 4.4Å | ||
| 1206 | M | 66.2 | Low | 64.7 | Low | 93 Ų | 93 | 64.7 Ų | 64.7 | 46% | 0.458 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 114.1 | 169.7 | -153.7 | 178 | -170.1 | 0 | 0 | 108.1 | F1178 I1232 | F1178-M1206 HydrophobicContact CD2-CB 4.08Å; F1178-M1206 HydrophobicContact CE2-CB 3.81Å; M1206-I1232 HydrophobicContact CB-CB 4.17Å; M1206-I1232 HydrophobicContact CB-CD1 4.16Å; M1206-I1232 PolarHBondContact N-O 2.83Å; M1206-I1232 PolarHBondContact O-N 2.89Å; M1206-I1232 HydrophobicContact SD-CD1 4.45Å |
| 1207 | K | 75.5 | Confident | 66.8 | Low | 97 Ų | 97 | 66.8 Ų | 66.8 | 42% | 0.422 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 106.3 | 173.9 | -169.7 | 163.7 | -175.8 | 146.7 | 0 | 109.6 | E1066 Q1205 I1230 H1231 | E1066-K1207 IonicContact OE1-NZ 3.16Å; E1066-K1207 PolarHBondContact OE1-NZ 2.86Å; Q1205-K1207 PolarHBondContact O-N 3.19Å; K1207-I1230 CarbonylContact C-O 3.6Å; K1207-I1230 WeakPolarHBondContact CA-O 3.23Å; K1207-H1231 VanDerWaalsContact CE-NE2 3.32Å; K1207-H1231 WeakPolarHBondContact CE-NE2 3.34Å; K1207-H1231 PolarHBondContact NZ-NE2 2.87Å |
| 1208 | R | 84.6 | Confident | 68.9 | Low | 47 Ų | 47 | 67.6 Ų | 67.6 | 18% | 0.177 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 154.2 | 166.2 | -84.1 | -174 | 172.6 | 127.4 | 1.9 | 110.2 | S1099 E1174 T1176 I1230 I1232 | S1099-R1208 PolarHBondContact OG-NE 3.12Å; E1174-R1208 IonicContact OE1-NH1 2.73Å; E1174-R1208 PolarHBondContact OE1-NH1 2.81Å; E1174-R1208 VanDerWaalsContact OE1-NH1 3.17Å; E1174-R1208 IonicContact OE2-NH1 3.77Å; E1174-R1208 PolarHBondContact OE2-NH1 2.81Å; T1176-R1208 PolarHBondContact OG1-NH1 3.28Å; T1176-R1208 PolarHBondContact OG1-NH2 2.54Å; R1208-I1230 HydrophobicContact CB-CB 4.14Å; R1208-I1230 PolarHBondContact N-O 2.9Å; R1208-I1230 PolarHBondContact O-N 3.29Å; R1208-I1232 HydrophobicContact CG-CD1 4.22Å |
| 1209 | V | 88 | Confident | 70.8 | Confident | 80 Ų | 80 | 69.7 Ų | 69.7 | 49% | 0.485 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 120 | 170.8 | -170.6 | 0 | 0 | 0 | 0 | 108.2 | I1227 L1228 | V1209-I1227 HydrophobicContact CG1-CG2 3.6Å; V1209-L1228 WeakPolarHBondContact CA-O 3.46Å |
| 1210 | I | 89.5 | Confident | 72.6 | Confident | 3 Ų | 3 | 64.2 Ų | 64.2 | 2% | 0.015 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 141.5 | 174.9 | -70 | 173.8 | 0 | 0 | 0 | 108.4 | I1095 E1096 D1097 L1102 Y1172 V1212 L1228 I1230 | I1095-I1210 HydrophobicContact CG2-CG2 4.1Å; E1096-I1210 WeakPolarHBondContact O-CG2 3.49Å; D1097-I1210 HydrophobicContact CB-CD1 3.75Å; D1097-I1210 HydrophobicContact CB-CG1 3.92Å; D1097-I1210 HydrophobicContact CB-CG2 4.07Å; D1097-I1210 WeakPolarHBondContact OD2-CD1 3.33Å; L1102-I1210 HydrophobicContact CB-CD1 4.19Å; L1102-I1210 HydrophobicContact CD2-CG2 3.78Å; Y1172-I1210 HydrophobicContact CD2-CD1 4.24Å; Y1172-I1210 HydrophobicContact CE2-CD1 3.59Å; I1210-V1212 HydrophobicContact CG2-CG2 4.48Å; I1210-L1228 HydrophobicContact CB-CB 4.38Å; I1210-L1228 PolarHBondContact N-O 2.7Å; I1210-L1228 PolarHBondContact O-N 2.73Å; I1210-I1230 HydrophobicContact CB-CD1 4.24Å; I1210-I1230 HydrophobicContact CD1-CD1 3.57Å; I1210-I1230 HydrophobicContact CG1-CD1 3.95Å |
| 1211 | Q | 89 | Confident | 74.6 | Confident | 59 Ų | 59 | 62.1 Ų | 62.1 | 28% | 0.276 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 140.8 | 172.6 | -52.4 | -161.4 | 30.7 | 0 | 0 | 111 | E1096 L1226 I1227 | E1096-Q1211 HydrophobicContact CB-CB 4.25Å; E1096-Q1211 PolarHBondContact N-O 2.95Å; E1096-Q1211 PolarHBondContact O-N 2.92Å; Q1211-L1226 WeakPolarHBondContact CA-O 3.13Å; Q1211-I1227 HydrophobicContact CG-CG1 4.24Å |
| 1212 | V | 89.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 121.3 | 172.7 | -171.3 | 0 | 0 | 0 | 0 | 107.6 | V1093 N1094 I1095 L1102 M1170 I1210 F1214 Q1225 L1226 | V1093-V1212 HydrophobicContact CG1-CG1 3.64Å; N1094-V1212 WeakPolarHBondContact O-CA 3.27Å; I1095-V1212 HydrophobicContact CG1-CG1 4.25Å; I1095-V1212 HydrophobicContact CG1-CG2 4.37Å; L1102-V1212 HydrophobicContact CD2-CG2 3.59Å; M1170-V1212 HydrophobicContact CE-CG1 4.34Å; M1170-V1212 HydrophobicContact CE-CG2 4.12Å; I1210-V1212 HydrophobicContact CG2-CG2 4.48Å; V1212-F1214 HydrophobicContact CB-CE2 4.3Å; V1212-F1214 HydrophobicContact CG1-CE1 4.35Å; V1212-F1214 HydrophobicContact CG1-CE2 3.78Å; V1212-F1214 HydrophobicContact CG1-CZ 3.67Å; V1212-Q1225 WeakPolarHBondContact O-CA 3.21Å; V1212-L1226 HydrophobicContact CB-CB 4.26Å; V1212-L1226 PolarHBondContact N-O 2.91Å; V1212-L1226 PolarHBondContact O-N 2.84Å |
| 1213 | I | 88.2 | Confident | 78.6 | Confident | 28 Ų | 28 | 55.9 Ų | 55.9 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 118.7 | -172.5 | -56.2 | 177.2 | 0 | 0 | 0 | 109 | V1093 N1094 E1096 I1222 Q1225 | V1093-I1213 WeakPolarHBondContact CA-O 3.13Å; N1094-I1213 PolarHBondContact N-O 3.18Å; N1094-I1213 PolarHBondContact O-N 2.78Å; E1096-I1213 WeakPolarHBondContact OE1-CD1 3.36Å; I1213-I1222 HydrophobicContact CG2-CD1 4Å; I1213-I1222 HydrophobicContact CG2-CG1 3.95Å; I1213-I1222 HydrophobicContact CG2-CG2 4.23Å; I1213-Q1225 HydrophobicContact CG1-CG 4.41Å |
| 1214 | F | 88.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 109.8 | 178 | -59.2 | -88 | 0 | 0 | 0 | 109 | Y1079 L1081 V1091 V1093 I1168 V1212 I1223 S1224 L1226 | Y1079-F1214 HydrophobicContact CD1-CE1 4.42Å; Y1079-F1214 AromaticContact CD1-CE2 3.71Å; Y1079-F1214 HydrophobicContact CD1-CE2 3.71Å; Y1079-F1214 AromaticContact CD1-CZ 3.62Å; Y1079-F1214 HydrophobicContact CD1-CZ 3.62Å; Y1079-F1214 AromaticContact CE1-CD2 3.92Å; Y1079-F1214 HydrophobicContact CE1-CD2 3.92Å; Y1079-F1214 AromaticContact CE1-CE2 3.38Å; Y1079-F1214 HydrophobicContact CE1-CE2 3.38Å; Y1079-F1214 AromaticContact CE1-CZ 3.79Å; Y1079-F1214 HydrophobicContact CE1-CZ 3.79Å; Y1079-F1214 HydrophobicContact CG-CZ 4.42Å; Y1079-F1214 AromaticContact CZ-CE2 3.99Å; L1081-F1214 HydrophobicContact CD1-CB 4.16Å; L1081-F1214 HydrophobicContact CD1-CD1 4.37Å; L1081-F1214 HydrophobicContact CD1-CG 4.11Å; L1081-F1214 HydrophobicContact CD2-CB 4.48Å; L1081-F1214 HydrophobicContact CD2-CD1 3.77Å; L1081-F1214 HydrophobicContact CD2-CE1 4.35Å; L1081-F1214 HydrophobicContact CD2-CG 4.28Å; V1091-F1214 HydrophobicContact CG1-CB 3.95Å; V1093-F1214 HydrophobicContact CB-CD1 4.25Å; V1093-F1214 HydrophobicContact CB-CE1 4.38Å; V1093-F1214 HydrophobicContact CG1-CD1 3.58Å; V1093-F1214 HydrophobicContact CG1-CE1 3.47Å; V1093-F1214 VanDerWaalsContact CG1-CE1 3.47Å; V1093-F1214 HydrophobicContact CG1-CG 4.27Å; V1093-F1214 HydrophobicContact CG1-CZ 4.1Å; V1093-F1214 HydrophobicContact CG2-CD1 3.63Å; V1093-F1214 HydrophobicContact CG2-CE1 3.92Å; I1168-F1214 HydrophobicContact CD1-CD1 4.19Å; I1168-F1214 HydrophobicContact CD1-CE1 3.52Å; I1168-F1214 HydrophobicContact CD1-CZ 4.25Å; V1212-F1214 HydrophobicContact CB-CE2 4.3Å; V1212-F1214 HydrophobicContact CG1-CE1 4.35Å; V1212-F1214 HydrophobicContact CG1-CE2 3.78Å; V1212-F1214 HydrophobicContact CG1-CZ 3.67Å; F1214-I1223 PolarHBondContact O-N 2.93Å; F1214-S1224 WeakPolarHBondContact CB-O 3.33Å; F1214-S1224 WeakPolarHBondContact CD2-O 3.24Å; F1214-S1224 PolarHBondContact N-O 2.82Å; F1214-L1226 HydrophobicContact CE2-CB 4.4Å |
| 1215 | K | 87.9 | Confident | 82.2 | Confident | 104 Ų | 104 | 53.6 Ų | 53.6 | 45% | 0.452 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 125.9 | -171.3 | -169.9 | -179.2 | -178.5 | -178.7 | 0 | 111.8 | V1091 N1092 T1217 G1220 | V1091-K1215 WeakPolarHBondContact CA-O 3.46Å; N1092-K1215 PolarHBondContact N-O 2.72Å; N1092-K1215 PolarHBondContact O-N 2.87Å; K1215-T1217 PolarHBondContact O-N 3.31Å; K1215-G1220 WeakPolarHBondContact CE-O 3.25Å |
| 1216 | S | 87.3 | Confident | 83.8 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 125.5 | 170.8 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | D1089 T1218 Y1219 G1220 K1221 | D1089-S1216 PolarHBondContact OD1-OG 3.04Å; D1089-S1216 WeakPolarHBondContact OD2-CB 3.46Å; D1089-S1216 PolarHBondContact OD2-OG 3.38Å; S1216-T1218 VanDerWaalsContact C-N 3.34Å; S1216-T1218 PolarHBondContact OG-N 2.9Å; S1216-Y1219 WeakPolarHBondContact OG-CD2 3.48Å; S1216-Y1219 PolarHBondContact OG-N 3.03Å; S1216-G1220 WeakPolarHBondContact O-CA 2.93Å; S1216-G1220 PolarHBondContact O-N 3.1Å; S1216-K1221 WeakPolarHBondContact CB-O 3.48Å; S1216-K1221 PolarHBondContact N-O 3.09Å |
| 1217 | T | 82.3 | Confident | 84.9 | Confident | 76 Ų | 76 | 46.8 Ų | 46.8 | 47% | 0.466 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -28.6 | 169.5 | 60.9 | 0 | 0 | 0 | 0 | 111.5 | T1090 N1092 K1215 | T1090-T1217 WeakPolarHBondContact CB-OG1 3.2Å; T1090-T1217 HydrophobicContact CG2-CG2 4.41Å; T1090-T1217 PolarHBondContact O-N 3.18Å; T1090-T1217 PolarHBondContact O-OG1 2.96Å; T1090-T1217 VanDerWaalsContact O-OG1 3.05Å; N1092-T1217 HydrophobicContact CB-CG2 3.91Å; K1215-T1217 PolarHBondContact O-N 3.31Å |
| 1218 | T | 80.5 | Confident | 85.5 | Confident | 84 Ų | 84 | 42.2 Ų | 42.2 | 52% | 0.515 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -40.1 | -176.1 | -42.6 | 0 | 0 | 0 | 0 | 112.1 | D1089 S1216 | D1089-T1218 WeakPolarHBondContact OD1-CB 2.97Å; D1089-T1218 PolarHBondContact OD1-OG1 2.83Å; S1216-T1218 VanDerWaalsContact C-N 3.34Å; S1216-T1218 PolarHBondContact OG-N 2.9Å |
| 1219 | Y | 76.8 | Confident | 85.8 | Confident | 94 Ų | 94 | 41.7 Ų | 41.7 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -8.3 | -176.8 | -55.9 | -62.5 | 0 | 0 | 0 | 113.9 | F1085 S1216 K1221 | F1085-Y1219 HydrophobicContact CD1-CE2 4.47Å; F1085-Y1219 AromaticContact CD2-CD2 3.93Å; F1085-Y1219 HydrophobicContact CD2-CD2 3.93Å; F1085-Y1219 AromaticContact CD2-CE2 3.75Å; F1085-Y1219 HydrophobicContact CD2-CE2 3.75Å; F1085-Y1219 AromaticContact CE2-CD2 3.63Å; F1085-Y1219 HydrophobicContact CE2-CD2 3.63Å; F1085-Y1219 AromaticContact CE2-CE2 3.95Å; F1085-Y1219 HydrophobicContact CE2-CE2 3.95Å; F1085-Y1219 HydrophobicContact CG-CD2 4.5Å; F1085-Y1219 HydrophobicContact CG-CE2 4.03Å; F1085-Y1219 AromaticContact CZ-CD2 3.96Å; F1085-Y1219 HydrophobicContact CZ-CD2 3.96Å; F1085-Y1219 HydrophobicContact CZ-CE2 4.41Å; S1216-Y1219 WeakPolarHBondContact OG-CD2 3.48Å; S1216-Y1219 PolarHBondContact OG-N 3.03Å; Y1219-K1221 PolarHBondContact O-N 3.22Å; Y1219-K1221 VanDerWaalsContact O-N 3.15Å |
| 1220 | G | 76.5 | Confident | 85.8 | Confident | 45 Ų | 45 | 37.9 Ų | 37.9 | 46% | 0.464 | 20% | 0.196 | S | C | . | . | trans | 68.3 | 5.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | K1215 S1216 | K1215-G1220 WeakPolarHBondContact CE-O 3.25Å; S1216-G1220 WeakPolarHBondContact O-CA 2.93Å; S1216-G1220 PolarHBondContact O-N 3.1Å | ||
| 1221 | K | 79.3 | Confident | 85.5 | Confident | 143 Ų | 143 | 39.4 Ų | 39.4 | 62% | 0.622 | 20% | 0.203 | S | C | * | . | trans | -99.3 | 151.3 | -174.2 | -69.8 | 179.4 | -178.6 | -178.4 | 0 | 112.3 | S1216 Y1219 I1223 | S1216-K1221 WeakPolarHBondContact CB-O 3.48Å; S1216-K1221 PolarHBondContact N-O 3.09Å; Y1219-K1221 PolarHBondContact O-N 3.22Å; Y1219-K1221 VanDerWaalsContact O-N 3.15Å; K1221-I1223 PolarHBondContact O-N 2.71Å | ||
| 1222 | I | 81.3 | Confident | 85.2 | Confident | 61 Ų | 61 | 36.8 Ų | 36.8 | 31% | 0.313 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 126.8 | 170.2 | -59.8 | 174.7 | 0 | 0 | 0 | 108.3 | I1213 S1224 Q1225 | I1213-I1222 HydrophobicContact CG2-CD1 4Å; I1213-I1222 HydrophobicContact CG2-CG1 3.95Å; I1213-I1222 HydrophobicContact CG2-CG2 4.23Å; I1222-S1224 WeakPolarHBondContact CG2-O 3.18Å; I1222-Q1225 HydrophobicContact CG2-CB 4.5Å |
| 1223 | I | 84.4 | Confident | 84.8 | Confident | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.062 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -47.2 | 175.8 | -63.9 | 176.2 | 0 | 0 | 0 | 109.7 | T1061 L1081 P1084 F1085 V1091 F1214 K1221 | T1061-I1223 WeakPolarHBondContact CG2-O 3.5Å; L1081-I1223 HydrophobicContact CD1-CG2 4.12Å; P1084-I1223 HydrophobicContact CG-CG2 4.07Å; F1085-I1223 HydrophobicContact CE2-CD1 4.5Å; F1085-I1223 HydrophobicContact CE2-CG1 4.33Å; V1091-I1223 HydrophobicContact CB-CD1 4.44Å; V1091-I1223 HydrophobicContact CG1-CD1 4.12Å; V1091-I1223 HydrophobicContact CG2-CD1 3.52Å; F1214-I1223 PolarHBondContact O-N 2.93Å; K1221-I1223 PolarHBondContact O-N 2.71Å |
| 1224 | S | 86.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 157.7 | 177.5 | -131 | 0 | 0 | 0 | 0 | 110.1 | Q920 T1061 Y1079 F1214 I1222 | Q920-S1224 PolarHBondContact NE2-OG 3.45Å; Q920-S1224 VanDerWaalsContact NE2-OG 3.13Å; T1061-S1224 PolarHBondContact O-OG 3.13Å; Y1079-S1224 WeakPolarHBondContact OH-CB 3.32Å; Y1079-S1224 PolarHBondContact OH-OG 2.72Å; F1214-S1224 WeakPolarHBondContact CB-O 3.33Å; F1214-S1224 WeakPolarHBondContact CD2-O 3.24Å; F1214-S1224 PolarHBondContact N-O 2.82Å; I1222-S1224 WeakPolarHBondContact CG2-O 3.18Å |
| 1225 | Q | 87.7 | Confident | 84.3 | Confident | 24 Ų | 24 | 37.4 Ų | 37.4 | 11% | 0.112 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 136.6 | 174.6 | -179.4 | -178.3 | 20.2 | 0 | 0 | 108.3 | T1061 T1062 I1063 V1212 I1213 I1222 I1227 | T1061-Q1225 PolarHBondContact O-N 2.97Å; T1062-Q1225 CarbonylContact C-O 3.49Å; T1062-Q1225 WeakPolarHBondContact CA-O 3.26Å; T1062-Q1225 PolarHBondContact OG1-OE1 2.9Å; I1063-Q1225 PolarHBondContact N-O 3.28Å; V1212-Q1225 WeakPolarHBondContact O-CA 3.21Å; I1213-Q1225 HydrophobicContact CG1-CG 4.41Å; I1222-Q1225 HydrophobicContact CG2-CB 4.5Å; Q1225-I1227 HydrophobicContact CG-CG1 4.47Å |
| 1226 | L | 89 | Confident | 84.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 126.5 | 175.3 | 171.4 | 66.7 | 0 | 0 | 0 | 108.3 | I918 I1063 H1065 F1077 Y1079 Q1211 V1212 F1214 L1228 | I918-L1226 HydrophobicContact CD1-CD1 4.33Å; I918-L1226 HydrophobicContact CG2-CD1 4.32Å; I1063-L1226 HydrophobicContact CB-CD1 4.46Å; H1065-L1226 HydrophobicContact CB-CD1 4.24Å; F1077-L1226 HydrophobicContact CE2-CD2 4.01Å; Y1079-L1226 HydrophobicContact CD2-CB 4.28Å; Y1079-L1226 HydrophobicContact CD2-CD1 4.04Å; Y1079-L1226 HydrophobicContact CD2-CD2 3.67Å; Y1079-L1226 HydrophobicContact CD2-CG 4.21Å; Y1079-L1226 HydrophobicContact CE2-CB 3.8Å; Y1079-L1226 HydrophobicContact CE2-CD1 3.85Å; Y1079-L1226 HydrophobicContact CE2-CD2 4.06Å; Y1079-L1226 HydrophobicContact CE2-CG 4.1Å; Y1079-L1226 HydrophobicContact CG-CD2 4.2Å; Q1211-L1226 WeakPolarHBondContact CA-O 3.13Å; V1212-L1226 HydrophobicContact CB-CB 4.26Å; V1212-L1226 PolarHBondContact N-O 2.91Å; V1212-L1226 PolarHBondContact O-N 2.84Å; F1214-L1226 HydrophobicContact CE2-CB 4.4Å; L1226-L1228 HydrophobicContact CD1-CD2 3.97Å; L1226-L1228 HydrophobicContact CD2-CD1 4.35Å; L1226-L1228 HydrophobicContact CD2-CD2 3.93Å; L1226-L1228 HydrophobicContact CD2-CG 4.12Å; L1226-L1228 HydrophobicContact CG-CD2 3.94Å; L1226-L1228 HydrophobicContact CG-CG 4.03Å |
| 1227 | I | 89.8 | Confident | 84 | Confident | 25 Ų | 25 | 34.2 Ų | 34.2 | 13% | 0.128 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 114.3 | 174.2 | -61.1 | -177 | 0 | 0 | 0 | 107.7 | T1062 I1063 H1065 V1209 Q1211 Q1225 | T1062-I1227 HydrophobicContact CG2-CD1 3.49Å; T1062-I1227 VanDerWaalsContact CG2-CD1 3.49Å; T1062-I1227 HydrophobicContact CG2-CG1 3.82Å; I1063-I1227 PolarHBondContact O-N 3.47Å; H1065-I1227 PolarHBondContact N-O 2.91Å; V1209-I1227 HydrophobicContact CG1-CG2 3.6Å; Q1211-I1227 HydrophobicContact CG-CG1 4.24Å; Q1225-I1227 HydrophobicContact CG-CG1 4.47Å |
| 1228 | L | 89 | Confident | 84 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 110.9 | 179.8 | -64.8 | 173.7 | 0 | 0 | 0 | 109.6 | H1065 L1067 F1077 L1102 V1209 I1210 L1226 I1230 | H1065-L1228 HydrophobicContact CB-CD2 4.29Å; L1067-L1228 HydrophobicContact CD1-CD1 4.33Å; L1067-L1228 HydrophobicContact CD1-CD2 4Å; L1067-L1228 HydrophobicContact CG-CD2 4.36Å; F1077-L1228 HydrophobicContact CE1-CD1 4.28Å; F1077-L1228 HydrophobicContact CE2-CD1 4.44Å; F1077-L1228 HydrophobicContact CE2-CD2 4.35Å; F1077-L1228 HydrophobicContact CZ-CD1 3.61Å; F1077-L1228 HydrophobicContact CZ-CD2 4.06Å; F1077-L1228 HydrophobicContact CZ-CG 4.49Å; L1102-L1228 HydrophobicContact CD1-CD1 3.85Å; L1102-L1228 HydrophobicContact CD2-CD1 3.67Å; L1102-L1228 HydrophobicContact CG-CD1 4.46Å; V1209-L1228 WeakPolarHBondContact CA-O 3.46Å; I1210-L1228 HydrophobicContact CB-CB 4.38Å; I1210-L1228 PolarHBondContact N-O 2.7Å; I1210-L1228 PolarHBondContact O-N 2.73Å; L1226-L1228 HydrophobicContact CD1-CD2 3.97Å; L1226-L1228 HydrophobicContact CD2-CD1 4.35Å; L1226-L1228 HydrophobicContact CD2-CD2 3.93Å; L1226-L1228 HydrophobicContact CD2-CG 4.12Å; L1226-L1228 HydrophobicContact CG-CD2 3.94Å; L1226-L1228 HydrophobicContact CG-CG 4.03Å; L1228-I1230 HydrophobicContact CB-CD1 4.14Å; L1228-I1230 HydrophobicContact CB-CG1 4.35Å; L1228-I1230 PolarHBondContact O-N 3.32Å |
| 1229 | H | 89.7 | Confident | 83.9 | Confident | 37 Ų | 37 | 29.7 Ų | 29.7 | 17% | 0.171 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 98.7 | 171.7 | -75.5 | -41.5 | 0 | 0 | 0 | 108.9 | H1065 E1066 L1067 | H1065-H1229 PolarHBondContact O-N 2.66Å; E1066-H1229 CarbonylContact C-O 3.59Å; E1066-H1229 WeakPolarHBondContact CA-O 3.45Å; E1066-H1229 HydrophobicContact CG-CB 3.83Å; L1067-H1229 PolarHBondContact N-O 3.26Å |
| 1230 | I | 87.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 118.7 | -174.4 | -65.2 | 138.4 | 0 | 0 | 0 | 109.3 | L1067 T1069 Y1172 K1207 R1208 I1210 L1228 I1232 | L1067-I1230 HydrophobicContact CB-CG1 4.11Å; L1067-I1230 HydrophobicContact CD1-CG1 4.13Å; T1069-I1230 HydrophobicContact CG2-CG2 4.18Å; Y1172-I1230 HydrophobicContact CD1-CG2 4.3Å; Y1172-I1230 HydrophobicContact CD2-CD1 3.98Å; Y1172-I1230 HydrophobicContact CE1-CG2 3.65Å; Y1172-I1230 HydrophobicContact CE2-CD1 3.59Å; Y1172-I1230 HydrophobicContact CE2-CG1 4.4Å; K1207-I1230 CarbonylContact C-O 3.6Å; K1207-I1230 WeakPolarHBondContact CA-O 3.23Å; R1208-I1230 HydrophobicContact CB-CB 4.14Å; R1208-I1230 PolarHBondContact N-O 2.9Å; R1208-I1230 PolarHBondContact O-N 3.29Å; I1210-I1230 HydrophobicContact CB-CD1 4.24Å; I1210-I1230 HydrophobicContact CD1-CD1 3.57Å; I1210-I1230 HydrophobicContact CG1-CD1 3.95Å; L1228-I1230 HydrophobicContact CB-CD1 4.14Å; L1228-I1230 HydrophobicContact CB-CG1 4.35Å; L1228-I1230 PolarHBondContact O-N 3.32Å; I1230-I1232 HydrophobicContact CG2-CG1 4.03Å |
| 1231 | H | 84.6 | Confident | 84.6 | Confident | 34 Ų | 34 | 25.9 Ų | 25.9 | 16% | 0.157 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 97.8 | 176.7 | -74.2 | -108 | 0 | 0 | 0 | 110.3 | E1066 L1067 S1068 T1069 Q1205 K1207 Q1233 | E1066-H1231 IonicContact OE1-NE2 3.59Å; L1067-H1231 PolarHBondContact O-N 3.13Å; S1068-H1231 WeakPolarHBondContact CA-O 3.39Å; T1069-H1231 PolarHBondContact N-O 3.46Å; Q1205-H1231 PolarHBondContact OE1-ND1 2.85Å; K1207-H1231 VanDerWaalsContact CE-NE2 3.32Å; K1207-H1231 WeakPolarHBondContact CE-NE2 3.34Å; K1207-H1231 PolarHBondContact NZ-NE2 2.87Å; H1231-Q1233 PolarHBondContact O-N 2.81Å |
| 1232 | I | 83.1 | Confident | 84.9 | Confident | 4 Ų | 4 | 20.2 Ų | 20.2 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 118.4 | 177.8 | -52.9 | 168.2 | 0 | 0 | 0 | 108.3 | E1174 Q1205 M1206 R1208 I1230 | E1174-I1232 HydrophobicContact CG-CG2 4.15Å; E1174-I1232 WeakPolarHBondContact OE2-CD1 3.43Å; E1174-I1232 WeakPolarHBondContact OE2-CG1 3.48Å; Q1205-I1232 WeakPolarHBondContact CA-O 3.49Å; M1206-I1232 HydrophobicContact CB-CB 4.17Å; M1206-I1232 HydrophobicContact CB-CD1 4.16Å; M1206-I1232 PolarHBondContact N-O 2.83Å; M1206-I1232 PolarHBondContact O-N 2.89Å; M1206-I1232 HydrophobicContact SD-CD1 4.45Å; R1208-I1232 HydrophobicContact CG-CD1 4.22Å; I1230-I1232 HydrophobicContact CG2-CG1 4.03Å |
| 1233 | Q | 80.4 | Confident | 85.1 | Confident | 17 Ų | 17 | 18.7 Ų | 18.7 | 8% | 0.079 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 152 | 170.8 | -67 | 179.6 | -71 | 0 | 0 | 110.4 | E812 T1069 S1070 Q1205 H1231 | E812-Q1233 PolarHBondContact OE1-NE2 3.35Å; E812-Q1233 VanDerWaalsContact OE1-NE2 3.12Å; E812-Q1233 PolarHBondContact OE2-NE2 3.08Å; T1069-Q1233 PolarHBondContact O-N 2.85Å; S1070-Q1233 WeakPolarHBondContact CA-O 3.22Å; S1070-Q1233 VanDerWaalsContact CB-O 3.26Å; S1070-Q1233 WeakPolarHBondContact CB-O 3.41Å; Q1205-Q1233 HydrophobicContact CG-CG 4.4Å; H1231-Q1233 PolarHBondContact O-N 2.81Å |
| 1234 | P | 81.4 | Confident | 85.3 | Confident | 14 Ų | 14 | 19.4 Ų | 19.4 | 9% | 0.091 | 10% | 0.096 | C | C | . | . | P | Polyproline II helix | trans | -55.8 | 142.7 | 169.1 | -22.2 | 32.8 | 0 | 0 | 0 | 111.3 | R738 F1178 V1204 | R738-P1234 HydrophobicContact CB-CB 4.28Å; R738-P1234 PolarHBondContact NE-O 2.96Å; R738-P1234 WeakPolarHBondContact O-CB 3.47Å; R738-P1234 WeakPolarHBondContact O-CG 3.44Å; F1178-P1234 HydrophobicContact CD1-CB 4.35Å; F1178-P1234 HydrophobicContact CD1-CG 3.91Å; F1178-P1234 HydrophobicContact CE1-CG 3.99Å; V1204-P1234 HydrophobicContact CG1-CG 3.67Å |
| 1235 | P | 84.9 | Confident | 85.4 | Confident | 10 Ų | 10 | 21.8 Ų | 21.8 | 7% | 0.065 | 11% | 0.106 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 152.2 | 172.1 | 30.1 | -34.2 | 0 | 0 | 0 | 110.9 | F1071 I1237 L1320 I1335 | F1071-P1235 HydrophobicContact CB-CB 4.24Å; F1071-P1235 HydrophobicContact CB-CG 4.33Å; P1235-I1237 HydrophobicContact CG-CG1 4.34Å; P1235-L1320 HydrophobicContact CG-CD1 3.83Å; P1235-L1320 HydrophobicContact CG-CD2 4.4Å; P1235-I1335 HydrophobicContact CB-CD1 4.03Å; P1235-I1335 HydrophobicContact CB-CG2 4.18Å |
| 1236 | I | 84.9 | Confident | 85.5 | Confident | 21 Ų | 21 | 21.5 Ų | 21.5 | 11% | 0.108 | 11% | 0.107 | C | C | . | . | P | Polyproline II helix | trans | -75.5 | 139.8 | 155.2 | -58.4 | 165.4 | 0 | 0 | 0 | 105.8 | Y737 R738 M815 Y819 I1335 | Y737-I1236 HydrophobicContact CD2-CD1 4.08Å; Y737-I1236 HydrophobicContact CD2-CG1 3.93Å; Y737-I1236 HydrophobicContact CE2-CD1 3.45Å; Y737-I1236 VanDerWaalsContact CE2-CD1 3.45Å; Y737-I1236 HydrophobicContact CE2-CG1 3.74Å; R738-I1236 HydrophobicContact CG-CG1 3.65Å; M815-I1236 HydrophobicContact CB-CD1 4.49Å; M815-I1236 HydrophobicContact CE-CD1 4.03Å; Y819-I1236 HydrophobicContact CD2-CG2 3.39Å; Y819-I1236 HydrophobicContact CE2-CG2 3.82Å; Y819-I1236 HydrophobicContact CG-CG2 4.22Å; I1236-I1335 WeakPolarHBondContact O-CB 2.99Å |
| 1237 | I | 85 | Confident | 85.6 | Confident | 17 Ų | 17 | 23.4 Ų | 23.4 | 9% | 0.087 | 12% | 0.116 | C | C | . | . | trans | -117.6 | 123.6 | -178.8 | -57.7 | -176.8 | 0 | 0 | 0 | 107.7 | Q735 P1235 H1239 L1320 Y1337 | Q735-I1237 VanDerWaalsContact OE1-CD1 3.29Å; P1235-I1237 HydrophobicContact CG-CG1 4.34Å; I1237-H1239 WeakPolarHBondContact CG2-O 3.49Å; I1237-L1320 HydrophobicContact CD1-CD2 3.91Å; I1237-L1320 HydrophobicContact CG1-CD2 4.37Å; I1237-Y1337 HydrophobicContact CD1-CD2 4.45Å | ||
| 1238 | D | 81.5 | Confident | 85.6 | Confident | 39 Ų | 39 | 27.9 Ų | 27.9 | 21% | 0.209 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -83.7 | -42.5 | -176.2 | -55.3 | -61.6 | 0 | 0 | 0 | 111.3 | Y1334 I1335 | D1238-Y1334 WeakPolarHBondContact OD2-CA 3.38Å; D1238-I1335 PolarHBondContact N-O 2.93Å; D1238-I1335 PolarHBondContact OD2-N 3.02Å |
| 1239 | H | 79.1 | Confident | 85.6 | Confident | 27 Ų | 27 | 29.4 Ų | 29.4 | 13% | 0.125 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 150.8 | 179.3 | -62.4 | -45.2 | 0 | 0 | 0 | 112.3 | I1237 F1241 W1336 Y1337 | I1237-H1239 WeakPolarHBondContact CG2-O 3.49Å; H1239-F1241 HydrophobicContact CB-CE2 4.11Å; H1239-F1241 HydrophobicContact CB-CZ 4.27Å; H1239-W1336 AromaticContact CD2-NE1 3.92Å; H1239-W1336 WeakPolarHBondContact O-CA 3.43Å; H1239-Y1337 PolarHBondContact O-N 3.39Å |
| 1240 | S | 82.7 | Confident | 85.6 | Confident | 22 Ų | 22 | 33.7 Ų | 33.7 | 15% | 0.154 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 100 | -177.3 | -69.1 | 0 | 0 | 0 | 0 | 112.6 | Q826 | Q826-S1240 VanDerWaalsContact CD-O 3.29Å; Q826-S1240 PolarHBondContact NE2-O 3.29Å; Q826-S1240 PolarHBondContact OE1-O 2.85Å |
| 1241 | F | 84.4 | Confident | 85.5 | Confident | 36 Ų | 36 | 34 Ų | 34 | 16% | 0.158 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 119.6 | 179.7 | -59 | -81.5 | 0 | 0 | 0 | 111.4 | H1239 F1243 L1255 W1336 Y1337 W1338 A1339 | H1239-F1241 HydrophobicContact CB-CE2 4.11Å; H1239-F1241 HydrophobicContact CB-CZ 4.27Å; F1241-F1243 HydrophobicContact CB-CD2 4.27Å; F1241-F1243 HydrophobicContact CB-CE2 3.58Å; F1241-F1243 HydrophobicContact CB-CZ 4.16Å; F1241-F1243 HydrophobicContact CD1-CZ 4.36Å; F1241-F1243 HydrophobicContact CG-CE2 4.37Å; F1241-L1255 HydrophobicContact CE1-CD1 4.5Å; F1241-L1255 HydrophobicContact CE2-CD1 4.41Å; F1241-L1255 HydrophobicContact CZ-CD1 4.15Å; F1241-W1336 HydrophobicContact CD2-CB 4.16Å; F1241-W1336 HydrophobicContact CD2-CG 4.42Å; F1241-W1336 HydrophobicContact CE2-CB 3.95Å; F1241-W1336 AromaticContact CE2-CD2 3.75Å; F1241-W1336 HydrophobicContact CE2-CD2 3.75Å; F1241-W1336 HydrophobicContact CE2-CE3 4.06Å; F1241-W1336 AromaticContact CE2-CG 3.72Å; F1241-W1336 HydrophobicContact CE2-CG 3.72Å; F1241-Y1337 PolarHBondContact N-O 3.18Å; F1241-W1338 HydrophobicContact CB-CD2 4.21Å; F1241-W1338 AromaticContact CD2-CE2 3.85Å; F1241-W1338 HydrophobicContact CD2-CZ2 4.11Å; F1241-W1338 AromaticContact CD2-NE1 3.63Å; F1241-W1338 HydrophobicContact CG-CZ2 4.33Å; F1241-W1338 WeakPolarHBondContact O-CA 3.48Å; F1241-A1339 PolarHBondContact O-N 2.84Å |
| 1242 | R | 85.7 | Confident | 85.7 | Confident | 24 Ų | 24 | 38.6 Ų | 38.6 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.9 | 172 | -175.4 | 168.1 | -72 | 117.8 | 2.1 | 110.8 | D828 F1244 A1339 H1341 | D828-R1242 IonicContact OD1-NH1 3.83Å; D828-R1242 IonicContact OD2-CZ 2.82Å; D828-R1242 IonicContact OD2-NH1 2.71Å; D828-R1242 PolarHBondContact OD2-NH1 2.69Å; D828-R1242 IonicContact OD2-NH2 3.23Å; R1242-F1244 HydrophobicContact CG-CE2 4.24Å; R1242-F1244 HydrophobicContact CG-CZ 4.21Å; R1242-A1339 WeakPolarHBondContact CA-O 3.25Å; R1242-H1341 VanDerWaalsContact CD-NE2 3.33Å; R1242-H1341 WeakPolarHBondContact CD-NE2 3.32Å; R1242-H1341 PolarHBondContact NE-NE2 3.16Å |
| 1243 | F | 86.7 | Confident | 85.7 | Confident | 30 Ų | 30 | 38.8 Ų | 38.8 | 13% | 0.132 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 151.3 | -177.4 | -64.1 | -72.9 | 0 | 0 | 0 | 111.9 | F1241 M1251 K1253 W1338 A1339 I1340 H1341 | F1241-F1243 HydrophobicContact CB-CD2 4.27Å; F1241-F1243 HydrophobicContact CB-CE2 3.58Å; F1241-F1243 HydrophobicContact CB-CZ 4.16Å; F1241-F1243 HydrophobicContact CD1-CZ 4.36Å; F1241-F1243 HydrophobicContact CG-CE2 4.37Å; F1243-M1251 HydrophobicContact CB-CE 3.63Å; F1243-M1251 HydrophobicContact CD1-CE 4.31Å; F1243-M1251 HydrophobicContact CD2-CE 3.28Å; F1243-M1251 HydrophobicContact CE2-CE 3.93Å; F1243-M1251 HydrophobicContact CG-CE 3.49Å; F1243-M1251 VanDerWaalsContact CG-CE 3.49Å; F1243-K1253 HydrophobicContact CZ-CG 4.41Å; F1243-W1338 HydrophobicContact CD2-CE3 4.06Å; F1243-W1338 AromaticContact CD2-CZ3 3.94Å; F1243-W1338 HydrophobicContact CD2-CZ3 3.94Å; F1243-W1338 AromaticContact CE2-CE3 3.8Å; F1243-W1338 HydrophobicContact CE2-CE3 3.8Å; F1243-W1338 AromaticContact CE2-CH2 3.86Å; F1243-W1338 HydrophobicContact CE2-CH2 3.86Å; F1243-W1338 AromaticContact CE2-CZ3 3.39Å; F1243-W1338 HydrophobicContact CE2-CZ3 3.39Å; F1243-W1338 HydrophobicContact CZ-CH2 4.5Å; F1243-W1338 HydrophobicContact CZ-CZ3 4.35Å; F1243-A1339 PolarHBondContact N-O 2.95Å; F1243-I1340 HydrophobicContact CB-CG2 4.3Å; F1243-H1341 PolarHBondContact O-N 3.05Å |
| 1244 | F | 87.7 | Confident | 85.8 | Confident | 27 Ų | 27 | 41.5 Ų | 41.5 | 12% | 0.118 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 109.8 | 177.4 | -60 | -87.4 | 0 | 0 | 0 | 108.4 | W830 L837 R1242 H1341 L1343 | W830-F1244 HydrophobicContact CH2-CZ 4.31Å; W830-F1244 HydrophobicContact CZ3-CZ 4.45Å; L837-F1244 HydrophobicContact CB-CE2 4.18Å; L837-F1244 HydrophobicContact CB-CZ 3.8Å; L837-F1244 HydrophobicContact CD2-CE2 3.8Å; L837-F1244 HydrophobicContact CD2-CZ 4.04Å; R1242-F1244 HydrophobicContact CG-CE2 4.24Å; R1242-F1244 HydrophobicContact CG-CZ 4.21Å; F1244-H1341 HydrophobicContact CD1-CB 3.67Å; F1244-H1341 AromaticContact CD1-CG 3.9Å; F1244-H1341 HydrophobicContact CE1-CB 4.03Å; F1244-H1341 AromaticContact CE1-CD2 3.72Å; F1244-H1341 AromaticContact CE1-CG 3.71Å; F1244-H1341 HydrophobicContact CG-CB 4.49Å; F1244-L1343 HydrophobicContact CB-CD1 3.72Å; F1244-L1343 HydrophobicContact CD1-CD1 4.09Å; F1244-L1343 HydrophobicContact CG-CD1 4.42Å |
| 1245 | H | 89 | Confident | 85.8 | Confident | 49 Ų | 49 | 41.2 Ų | 41.2 | 23% | 0.227 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 153 | -167.4 | -165.3 | 81.5 | 0 | 0 | 0 | 112.1 | E1247 S1249 F1250 M1251 L1310 I1340 H1341 S1342 L1343 | H1245-E1247 PolarHBondContact O-N 3.09Å; H1245-S1249 PolarHBondContact CD2-OG 3.05Å; H1245-S1249 PolarHBondContact NE2-OG 3.41Å; H1245-F1250 PolarHBondContact NE2-O 2.87Å; H1245-M1251 WeakPolarHBondContact NE2-CA 3.46Å; H1245-L1310 HydrophobicContact CB-CD1 3.71Å; H1245-I1340 HydrophobicContact CB-CG2 4.15Å; H1245-H1341 PolarHBondContact N-O 2.9Å; H1245-S1342 WeakPolarHBondContact O-CA 3.39Å; H1245-L1343 PolarHBondContact O-N 2.86Å |
| 1246 | P | 89.4 | Confident | 85.3 | Confident | 19 Ų | 19 | 46.2 Ų | 46.2 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.3 | 133.8 | 178.2 | -32.5 | 38.3 | 0 | 0 | 0 | 115.4 | S1249 L1343 R1345 I1450 | P1246-S1249 WeakPolarHBondContact O-CB 3.17Å; P1246-S1249 PolarHBondContact O-OG 3.28Å; P1246-L1343 CarbonylContact C-O 3.52Å; P1246-L1343 VanDerWaalsContact CA-O 3.29Å; P1246-L1343 WeakPolarHBondContact CA-O 3.37Å; P1246-R1345 HydrophobicContact CB-CB 3.9Å; P1246-R1345 HydrophobicContact CG-CB 3.95Å; P1246-R1345 HydrophobicContact CG-CG 4.25Å; P1246-I1450 HydrophobicContact CG-CG2 4.5Å |
| 1247 | E | 91.1 | Very high | 84.7 | Confident | 40 Ų | 40 | 45.9 Ų | 45.9 | 19% | 0.187 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 154.8 | 173.5 | 77.9 | 176.3 | 161.9 | 0 | 0 | 112.5 | H1245 S1249 G1311 K1312 S1313 L1343 Q1344 | H1245-E1247 PolarHBondContact O-N 3.09Å; E1247-S1249 PolarHBondContact O-N 2.93Å; E1247-G1311 CarbonylContact C-O 3.53Å; E1247-G1311 WeakPolarHBondContact CA-O 3.47Å; E1247-G1311 WeakPolarHBondContact CB-O 3.48Å; E1247-K1312 WeakPolarHBondContact OE2-CA 3.41Å; E1247-S1313 WeakPolarHBondContact OE2-CB 3.39Å; E1247-S1313 PolarHBondContact OE2-N 2.87Å; E1247-L1343 PolarHBondContact N-O 3.13Å; E1247-Q1344 HydrophobicContact CG-CB 4.46Å; E1247-Q1344 VanDerWaalsContact OE1-CB 3.31Å; E1247-Q1344 WeakPolarHBondContact OE1-CB 3.44Å; E1247-Q1344 VanDerWaalsContact OE1-CG 3.24Å; E1247-Q1344 WeakPolarHBondContact OE1-CG 3.4Å |
| 1248 | L | 89.9 | Confident | 83.6 | Confident | 118 Ų | 118 | 46.1 Ų | 46.1 | 62% | 0.618 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 22.3 | 176.4 | -58.5 | 174.7 | 0 | 0 | 0 | 114.4 | G1311 K1312 | L1248-G1311 PolarHBondContact N-O 2.79Å; L1248-K1312 HydrophobicContact CD1-CG 4.36Å; L1248-K1312 HydrophobicContact CD2-CG 3.86Å; L1248-K1312 HydrophobicContact CG-CG 4.25Å |
| 1249 | S | 89.4 | Confident | 82.6 | Confident | 32 Ų | 32 | 47 Ų | 47 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -118.4 | 175.6 | -177.8 | 84.5 | 0 | 0 | 0 | 0 | 111.6 | H1245 P1246 E1247 L1310 | H1245-S1249 PolarHBondContact CD2-OG 3.05Å; H1245-S1249 PolarHBondContact NE2-OG 3.41Å; P1246-S1249 WeakPolarHBondContact O-CB 3.17Å; P1246-S1249 PolarHBondContact O-OG 3.28Å; E1247-S1249 PolarHBondContact O-N 2.93Å; S1249-L1310 PolarHBondContact O-N 2.88Å |
| 1250 | F | 88.6 | Confident | 81.3 | Confident | 128 Ų | 128 | 50.8 Ų | 50.8 | 56% | 0.561 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125.6 | 167.7 | -67.6 | -82.5 | 0 | 0 | 0 | 109.8 | H1245 K1307 V1308 | H1245-F1250 PolarHBondContact NE2-O 2.87Å; F1250-K1307 HydrophobicContact CB-CG 4.45Å; F1250-K1307 HydrophobicContact CD1-CD 4.43Å; F1250-K1307 HydrophobicContact CD1-CG 4.24Å; F1250-V1308 CarbonylContact C-O 3.52Å; F1250-V1308 VanDerWaalsContact CA-O 3.27Å; F1250-V1308 WeakPolarHBondContact CA-O 3.45Å |
| 1251 | M | 86.2 | Confident | 79.8 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 3% | 0.034 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 137 | 159.9 | -173.3 | -119.4 | -107.2 | 0 | 0 | 108.5 | F1243 H1245 K1253 K1307 V1308 W1338 I1340 | F1243-M1251 HydrophobicContact CB-CE 3.63Å; F1243-M1251 HydrophobicContact CD1-CE 4.31Å; F1243-M1251 HydrophobicContact CD2-CE 3.28Å; F1243-M1251 HydrophobicContact CE2-CE 3.93Å; F1243-M1251 HydrophobicContact CG-CE 3.49Å; F1243-M1251 VanDerWaalsContact CG-CE 3.49Å; H1245-M1251 WeakPolarHBondContact NE2-CA 3.46Å; M1251-K1253 HydrophobicContact SD-CB 3.98Å; M1251-K1307 WeakPolarHBondContact O-CA 3.46Å; M1251-V1308 PolarHBondContact N-O 3.04Å; M1251-V1308 PolarHBondContact O-N 2.71Å; M1251-W1338 HydrophobicContact CE-CE3 4.44Å; M1251-W1338 HydrophobicContact CE-CZ3 4Å; M1251-W1338 HydrophobicContact SD-CZ3 4.21Å; M1251-I1340 HydrophobicContact CE-CD1 3.51Å; M1251-I1340 HydrophobicContact CE-CG1 3.74Å; M1251-I1340 HydrophobicContact CE-CG2 4.11Å; M1251-I1340 HydrophobicContact SD-CD1 4.15Å |
| 1252 | K | 88.3 | Confident | 78.3 | Confident | 129 Ų | 129 | 51 Ų | 51 | 56% | 0.561 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.3 | 167.4 | -56.1 | 170.1 | -164.8 | 152.5 | 0 | 106.3 | E618 I1306 K1307 | E618-K1252 IonicContact OE2-NZ 2.71Å; K1252-I1306 CarbonylContact C-O 3.55Å; K1252-I1306 WeakPolarHBondContact CA-O 3.4Å; K1252-K1307 HydrophobicContact CG-CG 4.47Å |
| 1253 | K | 83.7 | Confident | 76.5 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 142 | 176.1 | -166.7 | 58 | 156.2 | 175.7 | 0 | 109.2 | N870 D873 F1243 M1251 L1255 L1305 I1306 W1338 | N870-K1253 PolarHBondContact OD1-NZ 2.88Å; D873-K1253 IonicContact OD1-NZ 3.14Å; D873-K1253 PolarHBondContact OD1-NZ 3.33Å; D873-K1253 IonicContact OD2-NZ 3.56Å; D873-K1253 PolarHBondContact OD2-NZ 3.07Å; F1243-K1253 HydrophobicContact CZ-CG 4.41Å; M1251-K1253 HydrophobicContact SD-CB 3.98Å; K1253-L1255 HydrophobicContact CG-CD2 4.46Å; K1253-L1305 WeakPolarHBondContact O-CA 3.48Å; K1253-I1306 PolarHBondContact N-O 3.38Å; K1253-I1306 PolarHBondContact O-N 2.89Å; K1253-W1338 HydrophobicContact CB-CH2 4.38Å; K1253-W1338 HydrophobicContact CG-CH2 4.35Å |
| 1254 | I | 83.2 | Confident | 74.8 | Confident | 75 Ų | 75 | 55.2 Ų | 55.2 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 125.6 | 170.8 | -61.6 | 173.2 | 0 | 0 | 0 | 106.7 | R1256 D1303 L1304 L1305 | I1254-R1256 HydrophobicContact CG2-CG 4.47Å; I1254-D1303 HydrophobicContact CG2-CB 3.87Å; I1254-L1304 WeakPolarHBondContact CA-O 3.42Å; I1254-L1305 HydrophobicContact CD1-CD1 4.46Å; I1254-L1305 HydrophobicContact CG1-CB 4.43Å; I1254-L1305 HydrophobicContact CG1-CD1 3.78Å |
| 1255 | L | 79.6 | Confident | 72.4 | Confident | 7 Ų | 7 | 63.7 Ų | 63.7 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 121.1 | 169.4 | -66.3 | -179.6 | 0 | 0 | 0 | 108.8 | F872 F1241 K1253 L1304 I1306 W1336 W1338 | F872-L1255 HydrophobicContact CD2-CD2 4.32Å; F872-L1255 HydrophobicContact CE2-CD2 4.29Å; F1241-L1255 HydrophobicContact CE1-CD1 4.5Å; F1241-L1255 HydrophobicContact CE2-CD1 4.41Å; F1241-L1255 HydrophobicContact CZ-CD1 4.15Å; K1253-L1255 HydrophobicContact CG-CD2 4.46Å; L1255-L1304 PolarHBondContact N-O 3.38Å; L1255-L1304 PolarHBondContact O-N 3.5Å; L1255-I1306 HydrophobicContact CD1-CD1 4.03Å; L1255-I1306 HydrophobicContact CG-CD1 4.41Å; L1255-W1336 HydrophobicContact CD1-CE3 4.18Å; L1255-W1336 HydrophobicContact CD1-CH2 3.95Å; L1255-W1336 HydrophobicContact CD1-CZ3 3.55Å; L1255-W1338 HydrophobicContact CD1-CH2 4.28Å; L1255-W1338 HydrophobicContact CD1-CZ2 3.77Å |
| 1256 | R | 75.1 | Confident | 70 | Confident | 116 Ų | 116 | 67.7 Ų | 67.7 | 44% | 0.438 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 114.5 | 177.9 | -62.7 | -160.6 | 168.6 | 139.2 | -3.3 | 109.7 | E875 I1254 I1301 D1303 | E875-R1256 IonicContact OE1-CZ 2.69Å; E875-R1256 IonicContact OE1-NH1 2.99Å; E875-R1256 PolarHBondContact OE1-NH1 2.96Å; E875-R1256 IonicContact OE1-NH2 3.3Å; E875-R1256 PolarHBondContact OE1-NH2 3.45Å; I1254-R1256 HydrophobicContact CG2-CG 4.47Å; R1256-I1301 HydrophobicContact CB-CG2 3.91Å; R1256-I1301 HydrophobicContact CG-CG2 4.32Å; R1256-D1303 WeakPolarHBondContact CG-OD1 3.34Å; R1256-D1303 IonicContact NE-OD1 3.27Å |
| 1257 | L | 72.9 | Confident | 67.3 | Low | 13 Ų | 13 | 69 Ų | 69 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122 | 177.7 | -67.3 | 170 | 0 | 0 | 0 | 109.7 | R1259 I1282 V1302 W1336 | L1257-R1259 PolarHBondContact O-N 3.5Å; L1257-I1282 HydrophobicContact CB-CD1 4.31Å; L1257-I1282 HydrophobicContact CD1-CD1 3.52Å; L1257-V1302 PolarHBondContact N-O 2.89Å; L1257-V1302 PolarHBondContact O-N 3.44Å; L1257-W1336 HydrophobicContact CD1-CH2 4.15Å; L1257-W1336 HydrophobicContact CD2-CH2 4.16Å; L1257-W1336 HydrophobicContact CD2-CZ2 4.17Å |
| 1258 | P | 60.6 | Low | 64.8 | Low | 22 Ų | 22 | 70.1 Ų | 70.1 | 14% | 0.143 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 132 | 173.1 | -15.4 | 28.9 | 0 | 0 | 0 | 110.2 | L632 N1260 I1261 | L632-P1258 HydrophobicContact CB-CG 4.13Å; L632-P1258 HydrophobicContact CD1-CG 3.61Å; P1258-N1260 PolarHBondContact O-N 2.94Å; P1258-N1260 VanDerWaalsContact O-N 3.16Å; P1258-I1261 HydrophobicContact CB-CD1 4.33Å; P1258-I1261 HydrophobicContact CB-CG1 4.33Å; P1258-I1261 HydrophobicContact CG-CD1 3.91Å; P1258-I1261 HydrophobicContact CG-CG1 4.45Å; P1258-I1261 PolarHBondContact O-N 3.26Å |
| 1259 | R | 61.3 | Low | 62.1 | Low | 57 Ų | 57 | 70.7 Ų | 70.7 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -56.9 | -31.6 | 174 | -79.5 | -169.3 | -178 | 163.2 | -12.9 | 112.7 | L1257 I1261 I1262 V1297 G1299 D1300 V1302 | L1257-R1259 PolarHBondContact O-N 3.5Å; R1259-I1261 PolarHBondContact O-N 3.31Å; R1259-I1262 PolarHBondContact O-N 2.85Å; R1259-I1262 VanDerWaalsContact O-N 3.08Å; R1259-I1262 VanDerWaalsContact O-O 3.05Å; R1259-V1297 VanDerWaalsContact NH2-CG1 3.28Å; R1259-G1299 PolarHBondContact NE-O 2.96Å; R1259-G1299 PolarHBondContact NH1-O 2.89Å; R1259-G1299 PolarHBondContact NH2-O 3.47Å; R1259-D1300 WeakPolarHBondContact CB-O 3.42Å; R1259-D1300 WeakPolarHBondContact CG-O 3.43Å; R1259-D1300 PolarHBondContact N-O 3.18Å; R1259-D1300 IonicContact NH1-OD1 3.5Å; R1259-D1300 PolarHBondContact NH1-OD1 2.83Å; R1259-V1302 HydrophobicContact CG-CG2 4.28Å |
| 1260 | N | 52.4 | Low | 59.5 | Low | 108 Ų | 108 | 72 Ų | 72 | 58% | 0.578 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -58.6 | -31 | -174.8 | -52.2 | 13.6 | 0 | 0 | 0 | 113.5 | P1258 | P1258-N1260 PolarHBondContact O-N 2.94Å; P1258-N1260 VanDerWaalsContact O-N 3.16Å |
| 1261 | I | 50.9 | Low | 56.8 | Low | 50 Ų | 50 | 73.2 Ų | 73.2 | 26% | 0.256 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -84.1 | -21 | -177.1 | -57.9 | 179.2 | 0 | 0 | 0 | 110.7 | L632 L640 P1258 R1259 D1263 Y1334 | L632-I1261 HydrophobicContact CD1-CD1 4.26Å; L640-I1261 HydrophobicContact CD2-CD1 3.75Å; L640-I1261 HydrophobicContact CD2-CG2 4.22Å; L640-I1261 HydrophobicContact CG-CG2 4.45Å; P1258-I1261 HydrophobicContact CB-CD1 4.33Å; P1258-I1261 HydrophobicContact CB-CG1 4.33Å; P1258-I1261 HydrophobicContact CG-CD1 3.91Å; P1258-I1261 HydrophobicContact CG-CG1 4.45Å; P1258-I1261 PolarHBondContact O-N 3.26Å; R1259-I1261 PolarHBondContact O-N 3.31Å; I1261-D1263 PolarHBondContact O-N 3.07Å; I1261-Y1334 WeakPolarHBondContact CG2-OH 3.46Å |
| 1262 | I | 52.6 | Low | 54.3 | Low | 13 Ų | 13 | 77.9 Ų | 77.9 | 7% | 0.067 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -88 | 103.3 | 172.9 | -63.5 | 166.6 | 0 | 0 | 0 | 107.7 | R1259 W1264 I1282 V1325 | R1259-I1262 PolarHBondContact O-N 2.85Å; R1259-I1262 VanDerWaalsContact O-N 3.08Å; R1259-I1262 VanDerWaalsContact O-O 3.05Å; I1262-W1264 HydrophobicContact CD1-CZ2 4.41Å; I1262-W1264 HydrophobicContact CG2-CD2 3.81Å; I1262-W1264 VanDerWaalsContact CG2-CE2 3.5Å; I1262-W1264 HydrophobicContact CG2-CG 3.95Å; I1262-W1264 HydrophobicContact CG2-CZ2 3.99Å; I1262-W1264 PolarHBondContact O-N 3.23Å; I1262-I1282 HydrophobicContact CD1-CD1 3.51Å; I1262-I1282 HydrophobicContact CD1-CG1 4.16Å; I1262-V1325 HydrophobicContact CB-CG1 4.36Å; I1262-V1325 HydrophobicContact CD1-CG1 4.03Å; I1262-V1325 HydrophobicContact CG1-CG1 3.99Å; I1262-V1325 HydrophobicContact CG2-CB 3.69Å; I1262-V1325 HydrophobicContact CG2-CG1 3.46Å; I1262-V1325 VanDerWaalsContact CG2-CG1 3.46Å; I1262-V1325 HydrophobicContact CG2-CG2 4.3Å |
| 1263 | D | 48.5 | Very low | 51.7 | Low | 84 Ų | 84 | 82.1 Ų | 82.1 | 45% | 0.449 | 40% | 0.397 | S | S | . | . | trans | -76.2 | 75.9 | 176.6 | -170 | 13.6 | 0 | 0 | 0 | 111.7 | I1261 R1265 N1266 | I1261-D1263 PolarHBondContact O-N 3.07Å; D1263-R1265 PolarHBondContact O-N 2.94Å; D1263-R1265 WeakPolarHBondContact OD1-CB 3.33Å; D1263-R1265 PolarHBondContact OD1-N 3.41Å; D1263-N1266 PolarHBondContact O-N 2.65Å; D1263-N1266 PolarHBondContact OD2-ND2 2.87Å | ||
| 1264 | W | 49.8 | Very low | 49.3 | Very low | 58 Ų | 58 | 86.1 Ų | 86.1 | 22% | 0.22 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -53.8 | -14 | 178.2 | -64.8 | 93.9 | 0 | 0 | 0 | 114 | I1262 Q1280 V1325 | I1262-W1264 HydrophobicContact CD1-CZ2 4.41Å; I1262-W1264 HydrophobicContact CG2-CD2 3.81Å; I1262-W1264 VanDerWaalsContact CG2-CE2 3.5Å; I1262-W1264 HydrophobicContact CG2-CG 3.95Å; I1262-W1264 HydrophobicContact CG2-CZ2 3.99Å; I1262-W1264 PolarHBondContact O-N 3.23Å; W1264-Q1280 HydrophobicContact CE3-CG 4.47Å; W1264-Q1280 HydrophobicContact CH2-CB 3.86Å; W1264-Q1280 HydrophobicContact CH2-CG 4.44Å; W1264-Q1280 HydrophobicContact CZ2-CB 3.92Å; W1264-Q1280 HydrophobicContact CZ3-CB 4.28Å; W1264-Q1280 HydrophobicContact CZ3-CG 4.41Å; W1264-V1325 VanDerWaalsContact CZ3-O 3.29Å; W1264-V1325 WeakPolarHBondContact CZ3-O 3.4Å |
| 1265 | R | 38.2 | Very low | 47.2 | Very low | 204 Ų | 204 | 88.6 Ų | 88.6 | 77% | 0.77 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -75 | -23.1 | -174.8 | -66.5 | 178.3 | 169.1 | 161.5 | -0.2 | 114 | D1263 | D1263-R1265 PolarHBondContact O-N 2.94Å; D1263-R1265 WeakPolarHBondContact OD1-CB 3.33Å; D1263-R1265 PolarHBondContact OD1-N 3.41Å |
| 1266 | N | 38.1 | Very low | 45 | Very low | 133 Ų | 133 | 95.6 Ų | 95.6 | 71% | 0.711 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -90.6 | -6.7 | -178 | -69.5 | -43.5 | 0 | 0 | 0 | 114 | D1263 F1268 | D1263-N1266 PolarHBondContact O-N 2.65Å; D1263-N1266 PolarHBondContact OD2-ND2 2.87Å; N1266-F1268 PolarHBondContact O-N 3.18Å |
| 1267 | S | 33.4 | Very low | 43.2 | Very low | 46 Ų | 46 | 99 Ų | 99 | 32% | 0.322 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -82.2 | 97.3 | 177.4 | -76.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1268 | F | 38.9 | Very low | 41.7 | Very low | 65 Ų | 65 | 102.8 Ų | 102.8 | 29% | 0.285 | 51% | 0.512 | S | S | . | . | trans | 56.5 | 77.7 | 160.4 | -54.9 | -78.5 | 0 | 0 | 0 | 116.9 | A1113 L1116 A1117 N1266 T1270 E1326 I1330 | A1113-F1268 WeakPolarHBondContact O-CE1 3.39Å; L1116-F1268 HydrophobicContact CB-CD1 4.13Å; L1116-F1268 HydrophobicContact CB-CE1 4.15Å; L1116-F1268 HydrophobicContact CD1-CD1 4.45Å; A1117-F1268 HydrophobicContact CB-CE1 4.07Å; A1117-F1268 HydrophobicContact CB-CZ 4.05Å; N1266-F1268 PolarHBondContact O-N 3.18Å; F1268-T1270 HydrophobicContact CB-CG2 4.45Å; F1268-T1270 PolarHBondContact O-N 2.71Å; F1268-E1326 HydrophobicContact CE2-CB 4.35Å; F1268-E1326 HydrophobicContact CE2-CG 4.19Å; F1268-I1330 HydrophobicContact CE2-CD1 4.45Å; F1268-I1330 HydrophobicContact CZ-CD1 3.86Å | ||
| 1269 | T | 32.6 | Very low | 41.2 | Very low | 130 Ų | 130 | 107.1 Ų | 107.1 | 80% | 0.798 | 53% | 0.534 | S | S | * | . | trans | -68.2 | 69.9 | 159.8 | 54.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1270 | T | 35.3 | Very low | 41.1 | Very low | 60 Ų | 60 | 108 Ų | 108 | 37% | 0.368 | 54% | 0.541 | S | S | . | . | trans | -70.1 | 129.1 | 170.5 | 47.7 | 0 | 0 | 0 | 0 | 109.9 | L1116 F1268 N1272 | L1116-T1270 HydrophobicContact CD1-CG2 3.65Å; F1268-T1270 HydrophobicContact CB-CG2 4.45Å; F1268-T1270 PolarHBondContact O-N 2.71Å; T1270-N1272 PolarHBondContact O-N 3.46Å | ||
| 1271 | N | 31.8 | Very low | 41.8 | Very low | 152 Ų | 152 | 106.4 Ų | 106.4 | 81% | 0.813 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 129.4 | -177.1 | -70.5 | -25.3 | 0 | 0 | 0 | 111.5 | R1273 | N1271-R1273 PolarHBondContact O-N 3.27Š|
| 1272 | N | 32.4 | Very low | 43.2 | Very low | 106 Ų | 106 | 104.1 Ų | 104.1 | 57% | 0.567 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 27.4 | 158.3 | -58.1 | -12.5 | 0 | 0 | 0 | 118.8 | Y266 T1270 | Y266-N1272 PolarHBondContact OH-ND2 2.98Å; Y266-N1272 PolarHBondContact OH-OD1 3.42Å; Y266-N1272 VanDerWaalsContact OH-OD1 3.1Å; T1270-N1272 PolarHBondContact O-N 3.46Å |
| 1273 | R | 35 | Very low | 44.8 | Very low | 218 Ų | 218 | 106.3 Ų | 106.3 | 82% | 0.823 | 53% | 0.525 | S | S | * | . | trans | -145.7 | 110.2 | 147.1 | -104.8 | 174.2 | -162.5 | 174.2 | 7.1 | 111.4 | N1271 I1275 | N1271-R1273 PolarHBondContact O-N 3.27Å; R1273-I1275 PolarHBondContact O-N 3.4Å; R1273-I1275 VanDerWaalsContact O-N 3.13Å | ||
| 1274 | T | 32.2 | Very low | 46.7 | Very low | 92 Ų | 92 | 103.4 Ų | 103.4 | 56% | 0.564 | 51% | 0.511 | S | S | * | . | trans | -63.1 | 111.1 | 171 | 43.5 | 0 | 0 | 0 | 0 | 110.4 | Q1276 | T1274-Q1276 PolarHBondContact O-N 3.43Š| ||
| 1275 | I | 39.6 | Very low | 48.6 | Very low | 126 Ų | 126 | 101.9 Ų | 101.9 | 65% | 0.646 | 51% | 0.505 | S | S | * | . | trans | -75.1 | 63.4 | 166.7 | -54.8 | -179.3 | 0 | 0 | 0 | 108.1 | R1273 V1278 | R1273-I1275 PolarHBondContact O-N 3.4Å; R1273-I1275 VanDerWaalsContact O-N 3.13Å; I1275-V1278 HydrophobicContact CG2-CB 3.6Å; I1275-V1278 HydrophobicContact CG2-CG2 3.51Å | ||
| 1276 | Q | 33.4 | Very low | 51.1 | Low | 154 Ų | 154 | 93.4 Ų | 93.4 | 72% | 0.72 | 48% | 0.476 | S | S | * | . | trans | -88.7 | -0 | -173.1 | -105.7 | 177.1 | -14.2 | 0 | 0 | 113.7 | T1274 | T1274-Q1276 PolarHBondContact O-N 3.43Š| ||
| 1277 | Q | 37.4 | Very low | 53.6 | Low | 188 Ų | 188 | 88.6 Ų | 88.6 | 88% | 0.879 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -143.7 | 10.3 | -176.8 | -71.9 | -167.2 | -36.3 | 0 | 0 | 115 | N1279 | Q1277-N1279 PolarHBondContact O-N 3.02Š|
| 1278 | V | 42.6 | Very low | 56.2 | Low | 92 Ų | 92 | 87.7 Ų | 87.7 | 56% | 0.558 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -77.1 | 125.2 | 162.2 | 175.3 | 0 | 0 | 0 | 0 | 106.7 | I1275 Q1280 | I1275-V1278 HydrophobicContact CG2-CB 3.6Å; I1275-V1278 HydrophobicContact CG2-CG2 3.51Å; V1278-Q1280 PolarHBondContact O-N 2.92Å |
| 1279 | N | 49.1 | Very low | 58.3 | Low | 113 Ų | 113 | 90.2 Ų | 90.2 | 60% | 0.604 | 47% | 0.47 | S | S | * | . | trans | -50.2 | 132.7 | -178.7 | -61.9 | -37.1 | 0 | 0 | 0 | 110.4 | Q1277 Q1281 | Q1277-N1279 PolarHBondContact O-N 3.02Å; N1279-Q1281 HydrophobicContact CB-CG 3.97Å; N1279-Q1281 PolarHBondContact O-N 3.11Å | ||
| 1280 | Q | 58.4 | Low | 60.8 | Low | 76 Ų | 76 | 88.6 Ų | 88.6 | 36% | 0.355 | 46% | 0.456 | S | S | . | . | trans | -72.2 | 57.5 | 175.4 | -70.4 | 174 | -37.9 | 0 | 0 | 111.2 | W1264 V1278 V1297 | W1264-Q1280 HydrophobicContact CE3-CG 4.47Å; W1264-Q1280 HydrophobicContact CH2-CB 3.86Å; W1264-Q1280 HydrophobicContact CH2-CG 4.44Å; W1264-Q1280 HydrophobicContact CZ2-CB 3.92Å; W1264-Q1280 HydrophobicContact CZ3-CB 4.28Å; W1264-Q1280 HydrophobicContact CZ3-CG 4.41Å; V1278-Q1280 PolarHBondContact O-N 2.92Å; Q1280-V1297 VanDerWaalsContact O-CG2 3.23Å; Q1280-V1297 WeakPolarHBondContact O-CG2 3.34Å | ||
| 1281 | Q | 68.5 | Low | 63.4 | Low | 74 Ų | 74 | 86.3 Ų | 86.3 | 35% | 0.346 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -75 | 154.2 | 173.8 | -70.7 | -178.4 | -73.5 | 0 | 0 | 109.8 | N1279 W1283 V1297 | N1279-Q1281 HydrophobicContact CB-CG 3.97Å; N1279-Q1281 PolarHBondContact O-N 3.11Å; Q1281-W1283 HydrophobicContact CB-CZ2 4.38Å; Q1281-W1283 VanDerWaalsContact O-CE3 3.3Å; Q1281-W1283 WeakPolarHBondContact O-CH2 3.25Å; Q1281-W1283 WeakPolarHBondContact O-CZ3 3.33Å; Q1281-V1297 HydrophobicContact CB-CG2 4.44Å; Q1281-V1297 HydrophobicContact CG-CG2 3.92Å |
| 1282 | I | 80.6 | Confident | 66.1 | Low | 2 Ų | 2 | 82.5 Ų | 82.5 | 1% | 0.01 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -99 | 130.4 | 169.4 | -70.9 | 175.7 | 0 | 0 | 0 | 107.2 | L1257 I1262 V1284 S1295 V1302 V1323 | L1257-I1282 HydrophobicContact CB-CD1 4.31Å; L1257-I1282 HydrophobicContact CD1-CD1 3.52Å; I1262-I1282 HydrophobicContact CD1-CD1 3.51Å; I1262-I1282 HydrophobicContact CD1-CG1 4.16Å; I1282-V1284 HydrophobicContact CG2-CG2 4.4Å; I1282-S1295 WeakPolarHBondContact O-CB 3.49Å; I1282-S1295 PolarHBondContact O-OG 3.47Å; I1282-V1302 HydrophobicContact CB-CG1 4.21Å; I1282-V1302 HydrophobicContact CD1-CB 3.73Å; I1282-V1302 HydrophobicContact CD1-CG1 3.6Å; I1282-V1302 HydrophobicContact CD1-CG2 4.04Å; I1282-V1302 HydrophobicContact CG1-CB 4.38Å; I1282-V1302 HydrophobicContact CG1-CG1 3.88Å; I1282-V1302 HydrophobicContact CG1-CG2 4.4Å; I1282-V1323 HydrophobicContact CG2-CG1 3.35Å |
| 1283 | W | 85.4 | Confident | 68.8 | Low | 60 Ų | 60 | 79.5 Ų | 79.5 | 23% | 0.227 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 152.8 | 176.1 | -62.5 | -92 | 0 | 0 | 0 | 109.6 | Q1281 Y1324 E1326 P1327 Q1329 | Q1281-W1283 HydrophobicContact CB-CZ2 4.38Å; Q1281-W1283 VanDerWaalsContact O-CE3 3.3Å; Q1281-W1283 WeakPolarHBondContact O-CH2 3.25Å; Q1281-W1283 WeakPolarHBondContact O-CZ3 3.33Å; W1283-Y1324 PolarHBondContact N-O 3.28Å; W1283-Y1324 WeakPolarHBondContact O-CD2 3.42Å; W1283-Y1324 PolarHBondContact O-N 3.27Å; W1283-E1326 VanDerWaalsContact CZ3-C 3.45Å; W1283-P1327 HydrophobicContact CD2-CB 4.39Å; W1283-P1327 HydrophobicContact CH2-CB 3.91Å; W1283-P1327 HydrophobicContact CZ2-CB 3.66Å; W1283-P1327 HydrophobicContact CZ3-CB 4.35Å; W1283-Q1329 HydrophobicContact CB-CG 4.07Å |
| 1284 | V | 89.2 | Confident | 71.2 | Confident | 23 Ų | 23 | 73.4 Ų | 73.4 | 14% | 0.139 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 143 | -176.7 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | I1282 V1286 T1293 L1304 M1321 S1322 Q1329 | I1282-V1284 HydrophobicContact CG2-CG2 4.4Å; V1284-V1286 HydrophobicContact CG1-CG2 3.9Å; V1284-T1293 HydrophobicContact CG1-CG2 4.09Å; V1284-L1304 HydrophobicContact CG2-CD1 3.84Å; V1284-L1304 HydrophobicContact CG2-CD2 3.97Å; V1284-M1321 HydrophobicContact CG1-CG 3.48Å; V1284-M1321 VanDerWaalsContact CG1-CG 3.48Å; V1284-M1321 HydrophobicContact CG1-SD 3.89Å; V1284-S1322 VanDerWaalsContact CA-O 3.28Å; V1284-S1322 WeakPolarHBondContact CA-O 3.41Å; V1284-S1322 WeakPolarHBondContact CG1-O 3.47Å; V1284-Q1329 PolarHBondContact O-NE2 2.93Å; V1284-Q1329 VanDerWaalsContact O-NE2 3.13Å |
| 1285 | R | 89.5 | Confident | 73.6 | Confident | 25 Ų | 25 | 70 Ų | 70 | 9% | 0.094 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.6 | 159.4 | -55.9 | -176.2 | -174.9 | 123.6 | -11 | 108.4 | G1072 T1074 E1173 S1322 Y1324 Q1329 | G1072-R1285 PolarHBondContact O-NH1 3.12Å; G1072-R1285 VanDerWaalsContact O-NH1 3.09Å; T1074-R1285 PolarHBondContact OG1-NH1 2.7Å; T1074-R1285 PolarHBondContact OG1-NH2 3.47Å; E1173-R1285 IonicContact OE1-CZ 2.64Å; E1173-R1285 IonicContact OE1-NH2 2.63Å; E1173-R1285 PolarHBondContact OE1-NH2 3.21Å; R1285-S1322 WeakPolarHBondContact CB-OG 3.29Å; R1285-S1322 PolarHBondContact N-O 3.27Å; R1285-S1322 PolarHBondContact O-N 2.94Å; R1285-S1322 PolarHBondContact O-OG 2.91Å; R1285-Y1324 HydrophobicContact CB-CE2 4.09Å; R1285-Y1324 WeakPolarHBondContact CD-OH 3.41Å; R1285-Y1324 HydrophobicContact CG-CE2 3.81Å; R1285-Y1324 PolarHBondContact NH1-OH 3.15Å; R1285-Q1329 VanDerWaalsContact CG-OE1 3.28Å; R1285-Q1329 PolarHBondContact NH1-O 3.2Å; R1285-Q1329 VanDerWaalsContact NH2-CB 3.27Å; R1285-Q1329 PolarHBondContact NH2-O 3.11Å |
| 1286 | V | 90.8 | Very high | 75.4 | Confident | 26 Ų | 26 | 67.4 Ų | 67.4 | 16% | 0.158 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 146 | 176.6 | -160 | 0 | 0 | 0 | 0 | 108.8 | V1284 D1288 V1291 T1293 F1319 L1320 M1321 | V1284-V1286 HydrophobicContact CG1-CG2 3.9Å; V1286-D1288 PolarHBondContact O-N 3.18Å; V1286-V1291 HydrophobicContact CB-CB 4.32Å; V1286-V1291 HydrophobicContact CB-CG1 4.42Å; V1286-V1291 HydrophobicContact CG1-CB 3.88Å; V1286-V1291 HydrophobicContact CG1-CG1 3.92Å; V1286-V1291 HydrophobicContact CG1-CG2 4.2Å; V1286-V1291 HydrophobicContact CG2-CB 4.41Å; V1286-V1291 HydrophobicContact CG2-CG1 4.06Å; V1286-T1293 HydrophobicContact CG2-CG2 3.78Å; V1286-F1319 HydrophobicContact CG1-CB 4.46Å; V1286-F1319 HydrophobicContact CG1-CD2 3.39Å; V1286-F1319 HydrophobicContact CG1-CE2 3.88Å; V1286-F1319 HydrophobicContact CG1-CG 4.16Å; V1286-L1320 WeakPolarHBondContact CA-O 3.25Å; V1286-L1320 VanDerWaalsContact CG1-O 3.29Å; V1286-L1320 WeakPolarHBondContact CG1-O 3.23Å; V1286-M1321 HydrophobicContact CG2-CE 4.16Å; V1286-M1321 HydrophobicContact CG2-CG 4.4Å |
| 1287 | S | 90.2 | Very high | 77 | Confident | 32 Ų | 32 | 61.9 Ų | 61.9 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -75.2 | -8 | 178.1 | 68.1 | 0 | 0 | 0 | 0 | 115.3 | A1175 L1320 | A1175-S1287 WeakPolarHBondContact O-CA 3.47Å; A1175-S1287 WeakPolarHBondContact O-CB 3.32Å; S1287-L1320 PolarHBondContact N-O 3.11Å; S1287-L1320 PolarHBondContact OG-N 3.37Å |
| 1288 | D | 87.3 | Confident | 78.4 | Confident | 28 Ų | 28 | 58.8 Ų | 58.8 | 15% | 0.15 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -119.5 | 120 | -177.4 | -178.9 | -22.4 | 0 | 0 | 0 | 108.6 | V1286 D1290 V1291 R1317 F1319 | V1286-D1288 PolarHBondContact O-N 3.18Å; D1288-D1290 VanDerWaalsContact C-N 3.26Å; D1288-D1290 PolarHBondContact O-N 2.85Å; D1288-D1290 PolarHBondContact OD1-N 2.93Å; D1288-V1291 HydrophobicContact CB-CG2 3.84Å; D1288-V1291 PolarHBondContact O-N 2.91Å; D1288-R1317 IonicContact OD1-CZ 3.71Å; D1288-R1317 IonicContact OD1-NH2 3.88Å; D1288-R1317 PolarHBondContact OD1-NH2 3.3Å; D1288-R1317 IonicContact OD2-CZ 3.68Å; D1288-R1317 IonicContact OD2-NE 2.86Å; D1288-R1317 PolarHBondContact OD2-NE 3.43Å; D1288-R1317 IonicContact OD2-NH2 2.69Å; D1288-R1317 PolarHBondContact OD2-NH2 3.25Å; D1288-F1319 HydrophobicContact CB-CB 3.8Å; D1288-F1319 HydrophobicContact CB-CG 4.38Å |
| 1289 | S | 83 | Confident | 79.6 | Confident | 117 Ų | 117 | 57 Ų | 57 | 82% | 0.818 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -16.9 | -173.2 | 52.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1290 | D | 85.5 | Confident | 80.3 | Confident | 96 Ų | 96 | 56.6 Ų | 56.6 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -13.7 | 178.1 | -61.3 | -16.2 | 0 | 0 | 0 | 112.5 | D1288 L1292 R1317 | D1288-D1290 VanDerWaalsContact C-N 3.26Å; D1288-D1290 PolarHBondContact O-N 2.85Å; D1288-D1290 PolarHBondContact OD1-N 2.93Å; D1290-L1292 PolarHBondContact O-N 2.83Å; D1290-R1317 VanDerWaalsContact CG-NH2 3.34Å; D1290-R1317 IonicContact OD2-CZ 3.77Å; D1290-R1317 IonicContact OD2-NH1 3.48Å; D1290-R1317 PolarHBondContact OD2-NH1 2.84Å; D1290-R1317 IonicContact OD2-NH2 3.97Å; D1290-R1317 PolarHBondContact OD2-NH2 2.94Å |
| 1291 | V | 88.9 | Confident | 80.7 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | trans | -79.1 | 120.8 | -177.7 | 178.4 | 0 | 0 | 0 | 0 | 109.6 | V1286 D1288 T1293 I1306 V1308 F1319 M1321 | V1286-V1291 HydrophobicContact CB-CB 4.32Å; V1286-V1291 HydrophobicContact CB-CG1 4.42Å; V1286-V1291 HydrophobicContact CG1-CB 3.88Å; V1286-V1291 HydrophobicContact CG1-CG1 3.92Å; V1286-V1291 HydrophobicContact CG1-CG2 4.2Å; V1286-V1291 HydrophobicContact CG2-CB 4.41Å; V1286-V1291 HydrophobicContact CG2-CG1 4.06Å; D1288-V1291 HydrophobicContact CB-CG2 3.84Å; D1288-V1291 PolarHBondContact O-N 2.91Å; V1291-T1293 HydrophobicContact CG1-CG2 4.21Å; V1291-I1306 HydrophobicContact CG1-CG2 4.27Å; V1291-V1308 HydrophobicContact CG1-CG2 4.08Å; V1291-V1308 HydrophobicContact CG2-CG1 4.18Å; V1291-V1308 HydrophobicContact CG2-CG2 4.13Å; V1291-F1319 HydrophobicContact CG1-CE2 4.21Å; V1291-F1319 HydrophobicContact CG1-CZ 4.26Å; V1291-F1319 HydrophobicContact CG2-CD1 4.06Å; V1291-F1319 HydrophobicContact CG2-CD2 4.4Å; V1291-F1319 HydrophobicContact CG2-CE1 4Å; V1291-F1319 HydrophobicContact CG2-CE2 4.34Å; V1291-F1319 HydrophobicContact CG2-CG 4.26Å; V1291-F1319 HydrophobicContact CG2-CZ 4.14Å; V1291-M1321 HydrophobicContact CG1-CE 4.49Å | ||
| 1292 | L | 89 | Confident | 81 | Confident | 73 Ų | 73 | 53 Ų | 53 | 38% | 0.382 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125.6 | -179.8 | -60.8 | 175.4 | 0 | 0 | 0 | 110 | D1290 K1307 | D1290-L1292 PolarHBondContact O-N 2.83Å; L1292-K1307 HydrophobicContact CB-CB 4.4Å; L1292-K1307 PolarHBondContact N-O 3.23Å; L1292-K1307 PolarHBondContact O-N 2.84Å |
| 1293 | T | 88.8 | Confident | 81 | Confident | 43 Ų | 43 | 54.2 Ų | 54.2 | 26% | 0.264 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 132.4 | 179.7 | 57.5 | 0 | 0 | 0 | 0 | 111.2 | V1284 V1286 V1291 L1305 I1306 M1321 | V1284-T1293 HydrophobicContact CG1-CG2 4.09Å; V1286-T1293 HydrophobicContact CG2-CG2 3.78Å; V1291-T1293 HydrophobicContact CG1-CG2 4.21Å; T1293-L1305 CarbonylContact C-O 3.54Å; T1293-L1305 WeakPolarHBondContact CA-O 3.44Å; T1293-I1306 HydrophobicContact CG2-CG1 4.3Å; T1293-I1306 HydrophobicContact CG2-CG2 4.48Å; T1293-M1321 HydrophobicContact CG2-CE 3.65Å; T1293-M1321 HydrophobicContact CG2-SD 4.35Å |
| 1294 | V | 85.9 | Confident | 81.1 | Confident | 89 Ų | 89 | 51.4 Ų | 51.4 | 54% | 0.539 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 122.4 | 178.5 | -178.7 | 0 | 0 | 0 | 0 | 109 | L1305 | V1294-L1305 PolarHBondContact N-O 2.82Å; V1294-L1305 PolarHBondContact O-N 2.74Å |
| 1295 | S | 83.8 | Confident | 81 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 14% | 0.14 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 128.5 | 172.5 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | I1282 | I1282-S1295 WeakPolarHBondContact O-CB 3.49Å; I1282-S1295 PolarHBondContact O-OG 3.47Å |
| 1296 | N | 76.7 | Confident | 81 | Confident | 73 Ų | 73 | 52.6 Ų | 52.6 | 39% | 0.39 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 142.1 | 174.9 | 177.6 | 34.3 | 0 | 0 | 0 | 108.8 | Q1298 V1302 D1303 | N1296-Q1298 PolarHBondContact ND2-NE2 3.18Å; N1296-V1302 WeakPolarHBondContact O-CA 3.34Å; N1296-V1302 WeakPolarHBondContact O-CG1 3.44Å; N1296-D1303 HydrophobicContact CB-CB 4.39Å; N1296-D1303 PolarHBondContact N-O 2.81Å; N1296-D1303 PolarHBondContact O-N 2.98Å |
| 1297 | V | 67.3 | Low | 81.1 | Confident | 37 Ų | 37 | 54 Ų | 54 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 110.8 | -167.1 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | R1259 Q1280 Q1281 V1302 | R1259-V1297 VanDerWaalsContact NH2-CG1 3.28Å; Q1280-V1297 VanDerWaalsContact O-CG2 3.23Å; Q1280-V1297 WeakPolarHBondContact O-CG2 3.34Å; Q1281-V1297 HydrophobicContact CB-CG2 4.44Å; Q1281-V1297 HydrophobicContact CG-CG2 3.92Å; V1297-V1302 HydrophobicContact CG1-CG2 4.43Å; V1297-V1302 HydrophobicContact CG2-CG1 4.17Å; V1297-V1302 HydrophobicContact CG2-CG2 4.42Å |
| 1298 | Q | 66.1 | Low | 81.2 | Confident | 123 Ų | 123 | 52.5 Ų | 52.5 | 58% | 0.575 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 112 | -172.7 | -64.1 | -167.4 | -3.3 | 0 | 0 | 111.1 | N1296 D1300 I1301 | N1296-Q1298 PolarHBondContact ND2-NE2 3.18Å; Q1298-D1300 PolarHBondContact O-N 3.42Å; Q1298-I1301 PolarHBondContact N-O 3.24Å; Q1298-I1301 PolarHBondContact O-N 2.86Å |
| 1299 | G | 67.3 | Low | 81.4 | Confident | 54 Ų | 54 | 51.8 Ų | 51.8 | 56% | 0.557 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | -135.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | R1259 I1301 | R1259-G1299 PolarHBondContact NE-O 2.96Å; R1259-G1299 PolarHBondContact NH1-O 2.89Å; R1259-G1299 PolarHBondContact NH2-O 3.47Å; G1299-I1301 VanDerWaalsContact C-N 3.29Å; G1299-I1301 PolarHBondContact O-N 2.9Å |
| 1300 | D | 64.8 | Low | 81.7 | Confident | 105 Ų | 105 | 46.9 Ų | 46.9 | 56% | 0.561 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 18.6 | -177.5 | -57.7 | -51.2 | 0 | 0 | 0 | 114.5 | R1259 Q1298 | R1259-D1300 WeakPolarHBondContact CB-O 3.42Å; R1259-D1300 WeakPolarHBondContact CG-O 3.43Å; R1259-D1300 PolarHBondContact N-O 3.18Å; R1259-D1300 IonicContact NH1-OD1 3.5Å; R1259-D1300 PolarHBondContact NH1-OD1 2.83Å; Q1298-D1300 PolarHBondContact O-N 3.42Å |
| 1301 | I | 65.8 | Low | 81.9 | Confident | 75 Ų | 75 | 43.3 Ų | 43.3 | 39% | 0.385 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 140.7 | 177.7 | -55.1 | 176.1 | 0 | 0 | 0 | 109.2 | R1256 Q1298 G1299 | R1256-I1301 HydrophobicContact CB-CG2 3.91Å; R1256-I1301 HydrophobicContact CG-CG2 4.32Å; Q1298-I1301 PolarHBondContact N-O 3.24Å; Q1298-I1301 PolarHBondContact O-N 2.86Å; G1299-I1301 VanDerWaalsContact C-N 3.29Å; G1299-I1301 PolarHBondContact O-N 2.9Å |
| 1302 | V | 74.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 118 | 166.7 | -173 | 0 | 0 | 0 | 0 | 108.9 | L1257 R1259 I1282 N1296 V1297 | L1257-V1302 PolarHBondContact N-O 2.89Å; L1257-V1302 PolarHBondContact O-N 3.44Å; R1259-V1302 HydrophobicContact CG-CG2 4.28Å; I1282-V1302 HydrophobicContact CB-CG1 4.21Å; I1282-V1302 HydrophobicContact CD1-CB 3.73Å; I1282-V1302 HydrophobicContact CD1-CG1 3.6Å; I1282-V1302 HydrophobicContact CD1-CG2 4.04Å; I1282-V1302 HydrophobicContact CG1-CB 4.38Å; I1282-V1302 HydrophobicContact CG1-CG1 3.88Å; I1282-V1302 HydrophobicContact CG1-CG2 4.4Å; N1296-V1302 WeakPolarHBondContact O-CA 3.34Å; N1296-V1302 WeakPolarHBondContact O-CG1 3.44Å; V1297-V1302 HydrophobicContact CG1-CG2 4.43Å; V1297-V1302 HydrophobicContact CG2-CG1 4.17Å; V1297-V1302 HydrophobicContact CG2-CG2 4.42Å |
| 1303 | D | 82.2 | Confident | 82 | Confident | 28 Ų | 28 | 44.6 Ų | 44.6 | 15% | 0.15 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 113.1 | 175.2 | -80.8 | 13.2 | 0 | 0 | 0 | 108.7 | I1254 R1256 N1296 | I1254-D1303 HydrophobicContact CG2-CB 3.87Å; R1256-D1303 WeakPolarHBondContact CG-OD1 3.34Å; R1256-D1303 IonicContact NE-OD1 3.27Å; N1296-D1303 HydrophobicContact CB-CB 4.39Å; N1296-D1303 PolarHBondContact N-O 2.81Å; N1296-D1303 PolarHBondContact O-N 2.98Å |
| 1304 | L | 86.1 | Confident | 81.9 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 102.8 | 171 | -176.7 | 63.2 | 0 | 0 | 0 | 109.7 | I1254 L1255 V1284 I1306 M1321 W1336 | I1254-L1304 WeakPolarHBondContact CA-O 3.42Å; L1255-L1304 PolarHBondContact N-O 3.38Å; L1255-L1304 PolarHBondContact O-N 3.5Å; V1284-L1304 HydrophobicContact CG2-CD1 3.84Å; V1284-L1304 HydrophobicContact CG2-CD2 3.97Å; L1304-I1306 HydrophobicContact CD2-CD1 4.14Å; L1304-I1306 HydrophobicContact CD2-CG1 4.34Å; L1304-I1306 HydrophobicContact CG-CD1 4.28Å; L1304-I1306 HydrophobicContact CG-CG1 4.02Å; L1304-M1321 HydrophobicContact CD2-SD 4.05Å; L1304-W1336 HydrophobicContact CD2-CH2 4.45Å; L1304-W1336 HydrophobicContact CD2-CZ3 3.94Å |
| 1305 | L | 88.2 | Confident | 82.1 | Confident | 72 Ų | 72 | 45.9 Ų | 45.9 | 38% | 0.377 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 125.2 | 172.1 | 174.6 | 65.2 | 0 | 0 | 0 | 109.8 | K1253 I1254 T1293 V1294 | K1253-L1305 WeakPolarHBondContact O-CA 3.48Å; I1254-L1305 HydrophobicContact CD1-CD1 4.46Å; I1254-L1305 HydrophobicContact CG1-CB 4.43Å; I1254-L1305 HydrophobicContact CG1-CD1 3.78Å; T1293-L1305 CarbonylContact C-O 3.54Å; T1293-L1305 WeakPolarHBondContact CA-O 3.44Å; V1294-L1305 PolarHBondContact N-O 2.82Å; V1294-L1305 PolarHBondContact O-N 2.74Å |
| 1306 | I | 90 | Very high | 82.4 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 129.4 | -179.3 | -57.1 | 169.2 | 0 | 0 | 0 | 107.8 | K1252 K1253 L1255 V1291 T1293 L1304 V1308 M1321 W1338 | K1252-I1306 CarbonylContact C-O 3.55Å; K1252-I1306 WeakPolarHBondContact CA-O 3.4Å; K1253-I1306 PolarHBondContact N-O 3.38Å; K1253-I1306 PolarHBondContact O-N 2.89Å; L1255-I1306 HydrophobicContact CD1-CD1 4.03Å; L1255-I1306 HydrophobicContact CG-CD1 4.41Å; V1291-I1306 HydrophobicContact CG1-CG2 4.27Å; T1293-I1306 HydrophobicContact CG2-CG1 4.3Å; T1293-I1306 HydrophobicContact CG2-CG2 4.48Å; L1304-I1306 HydrophobicContact CD2-CD1 4.14Å; L1304-I1306 HydrophobicContact CD2-CG1 4.34Å; L1304-I1306 HydrophobicContact CG-CD1 4.28Å; L1304-I1306 HydrophobicContact CG-CG1 4.02Å; I1306-V1308 HydrophobicContact CG2-CG2 4.16Å; I1306-M1321 HydrophobicContact CD1-CE 3.65Å; I1306-M1321 HydrophobicContact CD1-SD 3.79Å; I1306-M1321 HydrophobicContact CG1-CE 3.92Å; I1306-M1321 HydrophobicContact CG1-SD 4.36Å; I1306-M1321 HydrophobicContact CG2-CE 3.81Å; I1306-W1338 HydrophobicContact CB-CH2 4.44Å; I1306-W1338 HydrophobicContact CD1-CH2 3.52Å; I1306-W1338 HydrophobicContact CD1-CZ2 3.31Å; I1306-W1338 HydrophobicContact CG2-CH2 4.27Å; I1306-W1338 HydrophobicContact CG2-CZ3 4.35Å |
| 1307 | K | 92.2 | Very high | 83 | Confident | 56 Ų | 56 | 47 Ų | 47 | 24% | 0.243 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 125.8 | 177.3 | 179.7 | -173.5 | 171.1 | -169 | 0 | 110.5 | F1250 M1251 K1252 L1292 | F1250-K1307 HydrophobicContact CB-CG 4.45Å; F1250-K1307 HydrophobicContact CD1-CD 4.43Å; F1250-K1307 HydrophobicContact CD1-CG 4.24Å; M1251-K1307 WeakPolarHBondContact O-CA 3.46Å; K1252-K1307 HydrophobicContact CG-CG 4.47Å; L1292-K1307 HydrophobicContact CB-CB 4.4Å; L1292-K1307 PolarHBondContact N-O 3.23Å; L1292-K1307 PolarHBondContact O-N 2.84Å |
| 1308 | V | 92.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 132.9 | -177.6 | -171.2 | 0 | 0 | 0 | 0 | 110 | F1250 M1251 V1291 I1306 L1310 F1319 I1340 | F1250-V1308 CarbonylContact C-O 3.52Å; F1250-V1308 VanDerWaalsContact CA-O 3.27Å; F1250-V1308 WeakPolarHBondContact CA-O 3.45Å; M1251-V1308 PolarHBondContact N-O 3.04Å; M1251-V1308 PolarHBondContact O-N 2.71Å; V1291-V1308 HydrophobicContact CG1-CG2 4.08Å; V1291-V1308 HydrophobicContact CG2-CG1 4.18Å; V1291-V1308 HydrophobicContact CG2-CG2 4.13Å; I1306-V1308 HydrophobicContact CG2-CG2 4.16Å; V1308-L1310 HydrophobicContact CG1-CD2 4.07Å; V1308-F1319 HydrophobicContact CG1-CE1 4.13Å; V1308-F1319 HydrophobicContact CG2-CE1 3.84Å; V1308-F1319 HydrophobicContact CG2-CZ 3.77Å; V1308-I1340 HydrophobicContact CB-CD1 3.9Å; V1308-I1340 HydrophobicContact CG1-CD1 3.91Å; V1308-I1340 HydrophobicContact CG2-CD1 3.81Å |
| 1309 | G | 91.4 | Very high | 85.4 | Confident | 13 Ų | 13 | 42.6 Ų | 42.6 | 13% | 0.134 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 136.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1317 | G1309-R1317 VanDerWaalsContact O-CD 3.25Å; G1309-R1317 WeakPolarHBondContact O-CD 3.41Å; G1309-R1317 PolarHBondContact O-NH1 2.91Å |
| 1310 | L | 89.4 | Confident | 86.5 | Confident | 14 Ų | 14 | 40.3 Ų | 40.3 | 7% | 0.073 | 21% | 0.209 | C | C | . | . | trans | -110.1 | 155.1 | -174.4 | -60 | -175.4 | 0 | 0 | 0 | 114.2 | H1245 S1249 V1308 R1317 I1340 | H1245-L1310 HydrophobicContact CB-CD1 3.71Å; S1249-L1310 PolarHBondContact O-N 2.88Å; V1308-L1310 HydrophobicContact CG1-CD2 4.07Å; L1310-R1317 HydrophobicContact CD2-CB 4.11Å; L1310-I1340 HydrophobicContact CD1-CG2 3.62Å; L1310-I1340 HydrophobicContact CD2-CB 3.96Å; L1310-I1340 HydrophobicContact CD2-CD1 4.28Å; L1310-I1340 HydrophobicContact CD2-CG2 3.68Å; L1310-I1340 HydrophobicContact CG-CG2 4.31Å | ||
| 1311 | G | 89.1 | Confident | 87.8 | Confident | 22 Ų | 22 | 35.3 Ų | 35.3 | 23% | 0.227 | 18% | 0.182 | C | C | . | . | trans | -83 | -157.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1247 L1248 | E1247-G1311 CarbonylContact C-O 3.53Å; E1247-G1311 WeakPolarHBondContact CA-O 3.47Å; E1247-G1311 WeakPolarHBondContact CB-O 3.48Å; L1248-G1311 PolarHBondContact N-O 2.79Å | ||
| 1312 | K | 90.2 | Very high | 89 | Confident | 109 Ų | 109 | 31.7 Ų | 31.7 | 47% | 0.474 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -87.4 | 150.7 | 174.5 | -64 | -174.9 | 179.9 | -178.8 | 0 | 110.9 | E1247 L1248 Q1315 | E1247-K1312 WeakPolarHBondContact OE2-CA 3.41Å; L1248-K1312 HydrophobicContact CD1-CG 4.36Å; L1248-K1312 HydrophobicContact CD2-CG 3.86Å; L1248-K1312 HydrophobicContact CG-CG 4.25Å; K1312-Q1315 WeakPolarHBondContact O-CB 3.48Å; K1312-Q1315 WeakPolarHBondContact O-CG 3.44Å; K1312-Q1315 PolarHBondContact O-N 3.48Å; K1312-Q1315 PolarHBondContact O-OE1 2.82Å |
| 1313 | S | 89.4 | Confident | 89.7 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 136.4 | 170.1 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | E1247 S1342 R1447 A1448 | E1247-S1313 WeakPolarHBondContact OE2-CB 3.39Å; E1247-S1313 PolarHBondContact OE2-N 2.87Å; S1313-S1342 WeakPolarHBondContact CA-O 3.38Å; S1313-R1447 PolarHBondContact O-NH1 2.96Å; S1313-A1448 PolarHBondContact OG-N 2.94Å; S1313-A1448 PolarHBondContact OG-O 2.89Å |
| 1314 | P | 87.8 | Confident | 89.9 | Confident | 45 Ų | 45 | 30.5 Ų | 30.5 | 29% | 0.292 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -102.3 | 38.9 | 3 | 40.4 | -34.4 | 0 | 0 | 0 | 113.1 | V1316 V1445 A1448 | P1314-V1316 PolarHBondContact O-N 2.89Å; P1314-V1445 HydrophobicContact CB-CG1 3.89Å; P1314-V1445 HydrophobicContact CG-CG1 4.3Å; P1314-A1448 HydrophobicContact CB-CB 4.3Å |
| 1315 | Q | 89.3 | Confident | 89.6 | Confident | 114 Ų | 114 | 31.7 Ų | 31.7 | 53% | 0.533 | 17% | 0.165 | S | C | . | . | P | Polyproline II helix | trans | -64 | 133.8 | -178 | -66.9 | 177.3 | -49.4 | 0 | 0 | 111.7 | K1312 S1342 | K1312-Q1315 WeakPolarHBondContact O-CB 3.48Å; K1312-Q1315 WeakPolarHBondContact O-CG 3.44Å; K1312-Q1315 PolarHBondContact O-N 3.48Å; K1312-Q1315 PolarHBondContact O-OE1 2.82Å; Q1315-S1342 WeakPolarHBondContact O-CB 3.47Å; Q1315-S1342 PolarHBondContact O-N 3.34Å; Q1315-S1342 PolarHBondContact O-OG 2.85Å |
| 1316 | V | 89.6 | Confident | 89.2 | Confident | 58 Ų | 58 | 28.9 Ų | 28.9 | 35% | 0.352 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 130.1 | 168.7 | -164.4 | 0 | 0 | 0 | 0 | 107.9 | P1314 E1318 A1339 I1340 H1341 | P1314-V1316 PolarHBondContact O-N 2.89Å; V1316-E1318 HydrophobicContact CB-CG 4.32Å; V1316-E1318 HydrophobicContact CG1-CG 3.69Å; V1316-A1339 HydrophobicContact CG1-CB 4.23Å; V1316-I1340 CarbonylContact C-O 3.56Å; V1316-I1340 WeakPolarHBondContact CA-O 3.38Å; V1316-H1341 WeakPolarHBondContact CG2-ND1 3.31Å |
| 1317 | R | 90.4 | Very high | 88.8 | Confident | 57 Ų | 57 | 32.1 Ų | 32.1 | 22% | 0.215 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 116.4 | 169.5 | -167.5 | 168.4 | -171.7 | 142.6 | 17.6 | 108.1 | D1288 D1290 G1309 L1310 I1340 | D1288-R1317 IonicContact OD1-CZ 3.71Å; D1288-R1317 IonicContact OD1-NH2 3.88Å; D1288-R1317 PolarHBondContact OD1-NH2 3.3Å; D1288-R1317 IonicContact OD2-CZ 3.68Å; D1288-R1317 IonicContact OD2-NE 2.86Å; D1288-R1317 PolarHBondContact OD2-NE 3.43Å; D1288-R1317 IonicContact OD2-NH2 2.69Å; D1288-R1317 PolarHBondContact OD2-NH2 3.25Å; D1290-R1317 VanDerWaalsContact CG-NH2 3.34Å; D1290-R1317 IonicContact OD2-CZ 3.77Å; D1290-R1317 IonicContact OD2-NH1 3.48Å; D1290-R1317 PolarHBondContact OD2-NH1 2.84Å; D1290-R1317 IonicContact OD2-NH2 3.97Å; D1290-R1317 PolarHBondContact OD2-NH2 2.94Å; G1309-R1317 VanDerWaalsContact O-CD 3.25Å; G1309-R1317 WeakPolarHBondContact O-CD 3.41Å; G1309-R1317 PolarHBondContact O-NH1 2.91Å; L1310-R1317 HydrophobicContact CD2-CB 4.11Å; R1317-I1340 PolarHBondContact N-O 2.73Å; R1317-I1340 PolarHBondContact O-N 3.37Å |
| 1318 | E | 90.5 | Very high | 88.4 | Confident | 69 Ų | 69 | 31.7 Ų | 31.7 | 32% | 0.322 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.9 | -174.5 | -57.4 | -172.3 | 136.9 | 0 | 0 | 110.2 | M1177 V1316 Y1337 W1338 A1339 | M1177-E1318 HydrophobicContact CE-CB 4.13Å; V1316-E1318 HydrophobicContact CB-CG 4.32Å; V1316-E1318 HydrophobicContact CG1-CG 3.69Å; E1318-Y1337 PolarHBondContact OE1-OH 3.29Å; E1318-Y1337 PolarHBondContact OE2-OH 3.36Å; E1318-W1338 VanDerWaalsContact CA-O 3.25Å; E1318-W1338 WeakPolarHBondContact CA-O 3.27Å; E1318-A1339 HydrophobicContact CG-CB 4.26Å |
| 1319 | F | 92.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 163.2 | 178.3 | 61.8 | -92.7 | 0 | 0 | 0 | 111.9 | V1286 D1288 V1291 V1308 M1321 W1338 I1340 | V1286-F1319 HydrophobicContact CG1-CB 4.46Å; V1286-F1319 HydrophobicContact CG1-CD2 3.39Å; V1286-F1319 HydrophobicContact CG1-CE2 3.88Å; V1286-F1319 HydrophobicContact CG1-CG 4.16Å; D1288-F1319 HydrophobicContact CB-CB 3.8Å; D1288-F1319 HydrophobicContact CB-CG 4.38Å; V1291-F1319 HydrophobicContact CG1-CE2 4.21Å; V1291-F1319 HydrophobicContact CG1-CZ 4.26Å; V1291-F1319 HydrophobicContact CG2-CD1 4.06Å; V1291-F1319 HydrophobicContact CG2-CD2 4.4Å; V1291-F1319 HydrophobicContact CG2-CE1 4Å; V1291-F1319 HydrophobicContact CG2-CE2 4.34Å; V1291-F1319 HydrophobicContact CG2-CG 4.26Å; V1291-F1319 HydrophobicContact CG2-CZ 4.14Å; V1308-F1319 HydrophobicContact CG1-CE1 4.13Å; V1308-F1319 HydrophobicContact CG2-CE1 3.84Å; V1308-F1319 HydrophobicContact CG2-CZ 3.77Å; F1319-M1321 HydrophobicContact CE2-CE 4Å; F1319-W1338 HydrophobicContact CD1-CB 4.04Å; F1319-W1338 HydrophobicContact CD2-CB 3.84Å; F1319-W1338 HydrophobicContact CD2-CG 4.13Å; F1319-W1338 HydrophobicContact CE1-CB 3.69Å; F1319-W1338 HydrophobicContact CE1-CG 4.3Å; F1319-W1338 HydrophobicContact CE2-CB 3.48Å; F1319-W1338 VanDerWaalsContact CE2-CB 3.48Å; F1319-W1338 AromaticContact CE2-CD1 3.78Å; F1319-W1338 AromaticContact CE2-CD2 3.88Å; F1319-W1338 HydrophobicContact CE2-CD2 3.88Å; F1319-W1338 HydrophobicContact CE2-CE3 4.42Å; F1319-W1338 AromaticContact CE2-CG 3.41Å; F1319-W1338 HydrophobicContact CE2-CG 3.41Å; F1319-W1338 VanDerWaalsContact CE2-CG 3.41Å; F1319-W1338 HydrophobicContact CG-CB 4.11Å; F1319-W1338 HydrophobicContact CZ-CB 3.4Å; F1319-W1338 VanDerWaalsContact CZ-CB 3.4Å; F1319-W1338 AromaticContact CZ-CD2 3.67Å; F1319-W1338 HydrophobicContact CZ-CD2 3.67Å; F1319-W1338 AromaticContact CZ-CE3 3.77Å; F1319-W1338 HydrophobicContact CZ-CE3 3.77Å; F1319-W1338 AromaticContact CZ-CG 3.51Å; F1319-W1338 HydrophobicContact CZ-CG 3.51Å; F1319-W1338 PolarHBondContact N-O 3.35Å; F1319-W1338 PolarHBondContact O-N 3.45Å; F1319-I1340 HydrophobicContact CE1-CD1 3.92Å; F1319-I1340 HydrophobicContact CZ-CD1 4.42Å |
| 1320 | L | 91.1 | Very high | 87.9 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 141 | 171.3 | -67.5 | 164.3 | 0 | 0 | 0 | 110.1 | F1071 M1177 P1235 I1237 V1286 S1287 I1335 W1336 Y1337 | F1071-L1320 HydrophobicContact CB-CD1 4.27Å; F1071-L1320 HydrophobicContact CD1-CB 3.79Å; F1071-L1320 HydrophobicContact CD1-CD1 4.02Å; F1071-L1320 HydrophobicContact CD1-CG 4.47Å; F1071-L1320 HydrophobicContact CD2-CB 4.42Å; F1071-L1320 HydrophobicContact CD2-CD1 4.4Å; F1071-L1320 HydrophobicContact CE1-CB 3.44Å; F1071-L1320 VanDerWaalsContact CE1-CB 3.44Å; F1071-L1320 HydrophobicContact CE2-CB 4.13Å; F1071-L1320 HydrophobicContact CG-CB 4.27Å; F1071-L1320 HydrophobicContact CG-CD1 3.95Å; F1071-L1320 HydrophobicContact CZ-CB 3.63Å; F1071-L1320 WeakPolarHBondContact CZ-O 3.28Å; M1177-L1320 HydrophobicContact CB-CD1 4.04Å; M1177-L1320 HydrophobicContact CB-CG 4.49Å; M1177-L1320 HydrophobicContact CG-CD1 3.9Å; M1177-L1320 HydrophobicContact CG-CG 4.21Å; M1177-L1320 HydrophobicContact SD-CG 4.36Å; P1235-L1320 HydrophobicContact CG-CD1 3.83Å; P1235-L1320 HydrophobicContact CG-CD2 4.4Å; I1237-L1320 HydrophobicContact CD1-CD2 3.91Å; I1237-L1320 HydrophobicContact CG1-CD2 4.37Å; V1286-L1320 WeakPolarHBondContact CA-O 3.25Å; V1286-L1320 VanDerWaalsContact CG1-O 3.29Å; V1286-L1320 WeakPolarHBondContact CG1-O 3.23Å; S1287-L1320 PolarHBondContact N-O 3.11Å; S1287-L1320 PolarHBondContact OG-N 3.37Å; L1320-I1335 HydrophobicContact CD2-CG2 4.33Å; L1320-W1336 WeakPolarHBondContact CA-O 3.44Å; L1320-Y1337 HydrophobicContact CD2-CD2 4.03Å |
| 1321 | M | 91.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130 | 173.1 | -175.9 | 174.2 | -60 | 0 | 0 | 109 | V1284 V1286 V1291 T1293 L1304 I1306 F1319 V1323 I1335 W1336 | V1284-M1321 HydrophobicContact CG1-CG 3.48Å; V1284-M1321 VanDerWaalsContact CG1-CG 3.48Å; V1284-M1321 HydrophobicContact CG1-SD 3.89Å; V1286-M1321 HydrophobicContact CG2-CE 4.16Å; V1286-M1321 HydrophobicContact CG2-CG 4.4Å; V1291-M1321 HydrophobicContact CG1-CE 4.49Å; T1293-M1321 HydrophobicContact CG2-CE 3.65Å; T1293-M1321 HydrophobicContact CG2-SD 4.35Å; L1304-M1321 HydrophobicContact CD2-SD 4.05Å; I1306-M1321 HydrophobicContact CD1-CE 3.65Å; I1306-M1321 HydrophobicContact CD1-SD 3.79Å; I1306-M1321 HydrophobicContact CG1-CE 3.92Å; I1306-M1321 HydrophobicContact CG1-SD 4.36Å; I1306-M1321 HydrophobicContact CG2-CE 3.81Å; F1319-M1321 HydrophobicContact CE2-CE 4Å; M1321-V1323 HydrophobicContact CG-CG2 4.33Å; M1321-I1335 WeakPolarHBondContact O-CA 3.25Å; M1321-W1336 HydrophobicContact CB-CB 4.48Å; M1321-W1336 HydrophobicContact CG-CE3 4.49Å; M1321-W1336 PolarHBondContact N-O 3.26Å; M1321-W1336 PolarHBondContact O-N 2.74Å; M1321-W1336 HydrophobicContact SD-CE3 3.99Å; M1321-W1336 HydrophobicContact SD-CZ3 4.22Å |
| 1322 | S | 91.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130.3 | 175.6 | 51.3 | 0 | 0 | 0 | 0 | 109.3 | V1284 R1285 Y1324 Y1334 | V1284-S1322 VanDerWaalsContact CA-O 3.28Å; V1284-S1322 WeakPolarHBondContact CA-O 3.41Å; V1284-S1322 WeakPolarHBondContact CG1-O 3.47Å; R1285-S1322 WeakPolarHBondContact CB-OG 3.29Å; R1285-S1322 PolarHBondContact N-O 3.27Å; R1285-S1322 PolarHBondContact O-N 2.94Å; R1285-S1322 PolarHBondContact O-OG 2.91Å; S1322-Y1324 WeakPolarHBondContact CB-OH 3.27Å; S1322-Y1324 WeakPolarHBondContact O-CD2 3.35Å; S1322-Y1324 WeakPolarHBondContact O-CE2 3.48Å; S1322-Y1324 WeakPolarHBondContact OG-CE2 3.25Å; S1322-Y1324 PolarHBondContact OG-OH 3.35Å; S1322-Y1334 WeakPolarHBondContact CA-O 3.33Å |
| 1323 | V | 88.8 | Confident | 87.2 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 127.3 | -168.7 | -174.6 | 0 | 0 | 0 | 0 | 109 | I1282 M1321 P1332 A1333 Y1334 W1336 | I1282-V1323 HydrophobicContact CG2-CG1 3.35Å; M1321-V1323 HydrophobicContact CG-CG2 4.33Å; V1323-P1332 CarbonylContact O-C 3.58Å; V1323-P1332 WeakPolarHBondContact O-CA 3.37Å; V1323-A1333 PolarHBondContact O-N 3.1Å; V1323-Y1334 PolarHBondContact N-O 3.13Å; V1323-Y1334 PolarHBondContact O-N 3.02Å; V1323-W1336 HydrophobicContact CG2-CD2 4.04Å; V1323-W1336 HydrophobicContact CG2-CE3 3.83Å; V1323-W1336 HydrophobicContact CG2-CH2 4.02Å; V1323-W1336 HydrophobicContact CG2-CZ2 4.18Å; V1323-W1336 HydrophobicContact CG2-CZ3 3.82Å |
| 1324 | Y | 87.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 141 | -171 | -49.6 | -104.4 | 0 | 0 | 0 | 110.9 | G1072 W1283 R1285 S1322 Q1329 R1331 P1332 | G1072-Y1324 WeakPolarHBondContact CA-OH 3.43Å; G1072-Y1324 WeakPolarHBondContact O-CE1 3.39Å; G1072-Y1324 PolarHBondContact O-OH 2.88Å; W1283-Y1324 PolarHBondContact N-O 3.28Å; W1283-Y1324 WeakPolarHBondContact O-CD2 3.42Å; W1283-Y1324 PolarHBondContact O-N 3.27Å; R1285-Y1324 HydrophobicContact CB-CE2 4.09Å; R1285-Y1324 WeakPolarHBondContact CD-OH 3.41Å; R1285-Y1324 HydrophobicContact CG-CE2 3.81Å; R1285-Y1324 PolarHBondContact NH1-OH 3.15Å; S1322-Y1324 WeakPolarHBondContact CB-OH 3.27Å; S1322-Y1324 WeakPolarHBondContact O-CD2 3.35Å; S1322-Y1324 WeakPolarHBondContact O-CE2 3.48Å; S1322-Y1324 WeakPolarHBondContact OG-CE2 3.25Å; S1322-Y1324 PolarHBondContact OG-OH 3.35Å; Y1324-Q1329 HydrophobicContact CD1-CB 3.76Å; Y1324-Q1329 HydrophobicContact CD1-CG 4.31Å; Y1324-Q1329 HydrophobicContact CD2-CB 4.25Å; Y1324-Q1329 HydrophobicContact CD2-CG 4.04Å; Y1324-Q1329 HydrophobicContact CE1-CB 3.79Å; Y1324-Q1329 VanDerWaalsContact CE1-O 3.27Å; Y1324-Q1329 WeakPolarHBondContact CE1-O 3.11Å; Y1324-Q1329 HydrophobicContact CE2-CB 4.31Å; Y1324-Q1329 HydrophobicContact CE2-CG 4.38Å; Y1324-Q1329 HydrophobicContact CG-CB 4Å; Y1324-Q1329 HydrophobicContact CG-CG 4.02Å; Y1324-R1331 WeakPolarHBondContact CD1-O 3.43Å; Y1324-P1332 HydrophobicContact CD1-CB 4.37Å; Y1324-P1332 HydrophobicContact CE1-CB 4.12Å |
| 1325 | V | 80.1 | Confident | 86.9 | Confident | 26 Ų | 26 | 36.9 Ų | 36.9 | 16% | 0.158 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -107.4 | 14.3 | -177.1 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | I1262 W1264 A1333 | I1262-V1325 HydrophobicContact CB-CG1 4.36Å; I1262-V1325 HydrophobicContact CD1-CG1 4.03Å; I1262-V1325 HydrophobicContact CG1-CG1 3.99Å; I1262-V1325 HydrophobicContact CG2-CB 3.69Å; I1262-V1325 HydrophobicContact CG2-CG1 3.46Å; I1262-V1325 VanDerWaalsContact CG2-CG1 3.46Å; I1262-V1325 HydrophobicContact CG2-CG2 4.3Å; W1264-V1325 VanDerWaalsContact CZ3-O 3.29Å; W1264-V1325 WeakPolarHBondContact CZ3-O 3.4Å; V1325-A1333 HydrophobicContact CG1-CB 3.8Å; V1325-A1333 HydrophobicContact CG2-CB 4.27Å |
| 1326 | E | 79.7 | Confident | 86.9 | Confident | 13 Ų | 13 | 31.6 Ų | 31.6 | 6% | 0.061 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -145.3 | 153.6 | 177.6 | 59.9 | 69.4 | -146.9 | 0 | 0 | 110 | F1268 W1283 F1328 Q1329 I1330 | F1268-E1326 HydrophobicContact CE2-CB 4.35Å; F1268-E1326 HydrophobicContact CE2-CG 4.19Å; W1283-E1326 VanDerWaalsContact CZ3-C 3.45Å; E1326-F1328 PolarHBondContact O-N 3.46Å; E1326-F1328 WeakPolarHBondContact OE2-CA 3.32Å; E1326-F1328 PolarHBondContact OE2-N 3.44Å; E1326-Q1329 WeakPolarHBondContact OE1-CA 3.16Å; E1326-Q1329 PolarHBondContact OE1-N 2.95Å; E1326-Q1329 PolarHBondContact OE2-N 3.18Å; E1326-I1330 PolarHBondContact OE1-N 3.13Å |
| 1327 | P | 81.2 | Confident | 86.8 | Confident | 68 Ų | 68 | 29.4 Ų | 29.4 | 44% | 0.442 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -13.4 | -162.5 | 30.6 | -36.6 | 0 | 0 | 0 | 115.9 | W1283 | W1283-P1327 HydrophobicContact CD2-CB 4.39Å; W1283-P1327 HydrophobicContact CH2-CB 3.91Å; W1283-P1327 HydrophobicContact CZ2-CB 3.66Å; W1283-P1327 HydrophobicContact CZ3-CB 4.35Å |
| 1328 | F | 84.3 | Confident | 86.8 | Confident | 47 Ų | 47 | 26.7 Ų | 26.7 | 21% | 0.206 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -2.1 | -175.6 | -56.4 | -65.8 | 0 | 0 | 0 | 112.9 | R1109 E1110 A1113 E1326 I1330 | R1109-F1328 HydrophobicContact CB-CZ 4.13Å; E1110-F1328 HydrophobicContact CB-CD1 3.63Å; E1110-F1328 HydrophobicContact CB-CE1 3.64Å; E1110-F1328 HydrophobicContact CB-CG 4.43Å; E1110-F1328 HydrophobicContact CB-CZ 4.44Å; E1110-F1328 HydrophobicContact CG-CB 4.36Å; E1110-F1328 HydrophobicContact CG-CD1 3.58Å; E1110-F1328 HydrophobicContact CG-CE1 4.14Å; E1110-F1328 HydrophobicContact CG-CG 4.14Å; A1113-F1328 HydrophobicContact CB-CD2 3.43Å; A1113-F1328 VanDerWaalsContact CB-CD2 3.43Å; A1113-F1328 HydrophobicContact CB-CE2 3.53Å; A1113-F1328 HydrophobicContact CB-CG 4.32Å; A1113-F1328 HydrophobicContact CB-CZ 4.47Å; E1326-F1328 PolarHBondContact O-N 3.46Å; E1326-F1328 WeakPolarHBondContact OE2-CA 3.32Å; E1326-F1328 PolarHBondContact OE2-N 3.44Å; F1328-I1330 VanDerWaalsContact C-N 3.33Å; F1328-I1330 HydrophobicContact CB-CD1 4.07Å; F1328-I1330 HydrophobicContact CB-CG1 3.8Å; F1328-I1330 PolarHBondContact O-N 3.15Å |
| 1329 | Q | 87.5 | Confident | 86.7 | Confident | 40 Ų | 40 | 23.4 Ų | 23.4 | 19% | 0.187 | 12% | 0.118 | C | C | . | . | trans | 56.7 | 40.7 | 174.3 | -58.3 | -177.2 | -35.3 | 0 | 0 | 113.4 | T1074 W1283 V1284 R1285 Y1324 E1326 | T1074-Q1329 PolarHBondContact OG1-O 3.38Å; W1283-Q1329 HydrophobicContact CB-CG 4.07Å; V1284-Q1329 PolarHBondContact O-NE2 2.93Å; V1284-Q1329 VanDerWaalsContact O-NE2 3.13Å; R1285-Q1329 VanDerWaalsContact CG-OE1 3.28Å; R1285-Q1329 PolarHBondContact NH1-O 3.2Å; R1285-Q1329 VanDerWaalsContact NH2-CB 3.27Å; R1285-Q1329 PolarHBondContact NH2-O 3.11Å; Y1324-Q1329 HydrophobicContact CD1-CB 3.76Å; Y1324-Q1329 HydrophobicContact CD1-CG 4.31Å; Y1324-Q1329 HydrophobicContact CD2-CB 4.25Å; Y1324-Q1329 HydrophobicContact CD2-CG 4.04Å; Y1324-Q1329 HydrophobicContact CE1-CB 3.79Å; Y1324-Q1329 VanDerWaalsContact CE1-O 3.27Å; Y1324-Q1329 WeakPolarHBondContact CE1-O 3.11Å; Y1324-Q1329 HydrophobicContact CE2-CB 4.31Å; Y1324-Q1329 HydrophobicContact CE2-CG 4.38Å; Y1324-Q1329 HydrophobicContact CG-CB 4Å; Y1324-Q1329 HydrophobicContact CG-CG 4.02Å; E1326-Q1329 WeakPolarHBondContact OE1-CA 3.16Å; E1326-Q1329 PolarHBondContact OE1-N 2.95Å; E1326-Q1329 PolarHBondContact OE2-N 3.18Å | ||
| 1330 | I | 85 | Confident | 86.7 | Confident | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | trans | -72.6 | -50.1 | -171.3 | -51 | 176.8 | 0 | 0 | 0 | 111.1 | T1074 A1113 L1114 A1117 F1118 F1268 E1326 F1328 | T1074-I1330 PolarHBondContact N-O 3.13Å; A1113-I1330 HydrophobicContact CB-CD1 4.26Å; L1114-I1330 HydrophobicContact CD2-CB 4.35Å; L1114-I1330 HydrophobicContact CD2-CD1 3.86Å; L1114-I1330 HydrophobicContact CD2-CG1 3.71Å; L1114-I1330 HydrophobicContact CD2-CG2 3.87Å; L1114-I1330 HydrophobicContact CG-CD1 4.35Å; A1117-I1330 HydrophobicContact CB-CD1 4.06Å; A1117-I1330 HydrophobicContact CB-CG2 3.93Å; F1118-I1330 HydrophobicContact CE2-CG2 3.99Å; F1268-I1330 HydrophobicContact CE2-CD1 4.45Å; F1268-I1330 HydrophobicContact CZ-CD1 3.86Å; E1326-I1330 PolarHBondContact OE1-N 3.13Å; F1328-I1330 VanDerWaalsContact C-N 3.33Å; F1328-I1330 HydrophobicContact CB-CD1 4.07Å; F1328-I1330 HydrophobicContact CB-CG1 3.8Å; F1328-I1330 PolarHBondContact O-N 3.15Å | ||
| 1331 | R | 84.9 | Confident | 86.7 | Confident | 145 Ų | 145 | 24.8 Ų | 24.8 | 55% | 0.547 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -137.7 | 136.9 | 173.2 | -69.5 | -172.6 | -174.4 | 156.9 | 9.3 | 109.9 | Y1324 | Y1324-R1331 WeakPolarHBondContact CD1-O 3.43Š|
| 1332 | P | 87.1 | Confident | 86.7 | Confident | 29 Ų | 29 | 24.9 Ų | 24.9 | 19% | 0.188 | 13% | 0.125 | C | C | . | . | trans | -68.8 | 145.5 | 174.3 | 28.8 | -32.1 | 0 | 0 | 0 | 110.6 | V1323 Y1324 I1335 | V1323-P1332 CarbonylContact O-C 3.58Å; V1323-P1332 WeakPolarHBondContact O-CA 3.37Å; Y1324-P1332 HydrophobicContact CD1-CB 4.37Å; Y1324-P1332 HydrophobicContact CE1-CB 4.12Å; P1332-I1335 HydrophobicContact CB-CG1 4.06Å; P1332-I1335 HydrophobicContact CG-CD1 3.88Å; P1332-I1335 HydrophobicContact CG-CG1 3.7Å | ||
| 1333 | A | 80.9 | Confident | 86.7 | Confident | 42 Ų | 42 | 25 Ų | 25 | 35% | 0.347 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -77.8 | -31.3 | 163 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1323 V1325 | V1323-A1333 PolarHBondContact O-N 3.1Å; V1325-A1333 HydrophobicContact CG1-CB 3.8Å; V1325-A1333 HydrophobicContact CG2-CB 4.27Å |
| 1334 | Y | 84.1 | Confident | 86.9 | Confident | 42 Ų | 42 | 28.1 Ų | 28.1 | 17% | 0.165 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 146.4 | 174.3 | -53.6 | -75.5 | 0 | 0 | 0 | 112.1 | L640 D1238 I1261 S1322 V1323 W1336 | L640-Y1334 HydrophobicContact CD1-CD1 4.16Å; L640-Y1334 HydrophobicContact CD1-CE1 3.69Å; L640-Y1334 HydrophobicContact CD1-CE2 4.24Å; L640-Y1334 HydrophobicContact CG-CE1 4.38Å; D1238-Y1334 WeakPolarHBondContact OD2-CA 3.38Å; I1261-Y1334 WeakPolarHBondContact CG2-OH 3.46Å; S1322-Y1334 WeakPolarHBondContact CA-O 3.33Å; V1323-Y1334 PolarHBondContact N-O 3.13Å; V1323-Y1334 PolarHBondContact O-N 3.02Å; Y1334-W1336 AromaticContact CG-NE1 3.95Å |
| 1335 | I | 88 | Confident | 87.2 | Confident | 13 Ų | 13 | 34 Ų | 34 | 7% | 0.067 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 120.3 | 166.6 | -58.5 | 174.7 | 0 | 0 | 0 | 108.6 | F1071 P1235 I1236 D1238 L1320 M1321 P1332 | F1071-I1335 HydrophobicContact CD1-CG2 3.98Å; F1071-I1335 HydrophobicContact CE1-CG2 4.23Å; F1071-I1335 WeakPolarHBondContact O-CD1 3.38Å; P1235-I1335 HydrophobicContact CB-CD1 4.03Å; P1235-I1335 HydrophobicContact CB-CG2 4.18Å; I1236-I1335 WeakPolarHBondContact O-CB 2.99Å; D1238-I1335 PolarHBondContact N-O 2.93Å; D1238-I1335 PolarHBondContact OD2-N 3.02Å; L1320-I1335 HydrophobicContact CD2-CG2 4.33Å; M1321-I1335 WeakPolarHBondContact O-CA 3.25Å; P1332-I1335 HydrophobicContact CB-CG1 4.06Å; P1332-I1335 HydrophobicContact CG-CD1 3.88Å; P1332-I1335 HydrophobicContact CG-CG1 3.7Å |
| 1336 | W | 88.1 | Confident | 87.8 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 135.5 | -178.3 | -58.7 | -24.8 | 0 | 0 | 0 | 111.6 | H1239 F1241 L1255 L1257 L1304 L1320 M1321 V1323 Y1334 | H1239-W1336 AromaticContact CD2-NE1 3.92Å; H1239-W1336 WeakPolarHBondContact O-CA 3.43Å; F1241-W1336 HydrophobicContact CD2-CB 4.16Å; F1241-W1336 HydrophobicContact CD2-CG 4.42Å; F1241-W1336 HydrophobicContact CE2-CB 3.95Å; F1241-W1336 AromaticContact CE2-CD2 3.75Å; F1241-W1336 HydrophobicContact CE2-CD2 3.75Å; F1241-W1336 HydrophobicContact CE2-CE3 4.06Å; F1241-W1336 AromaticContact CE2-CG 3.72Å; F1241-W1336 HydrophobicContact CE2-CG 3.72Å; L1255-W1336 HydrophobicContact CD1-CE3 4.18Å; L1255-W1336 HydrophobicContact CD1-CH2 3.95Å; L1255-W1336 HydrophobicContact CD1-CZ3 3.55Å; L1257-W1336 HydrophobicContact CD1-CH2 4.15Å; L1257-W1336 HydrophobicContact CD2-CH2 4.16Å; L1257-W1336 HydrophobicContact CD2-CZ2 4.17Å; L1304-W1336 HydrophobicContact CD2-CH2 4.45Å; L1304-W1336 HydrophobicContact CD2-CZ3 3.94Å; L1320-W1336 WeakPolarHBondContact CA-O 3.44Å; M1321-W1336 HydrophobicContact CB-CB 4.48Å; M1321-W1336 HydrophobicContact CG-CE3 4.49Å; M1321-W1336 PolarHBondContact N-O 3.26Å; M1321-W1336 PolarHBondContact O-N 2.74Å; M1321-W1336 HydrophobicContact SD-CE3 3.99Å; M1321-W1336 HydrophobicContact SD-CZ3 4.22Å; V1323-W1336 HydrophobicContact CG2-CD2 4.04Å; V1323-W1336 HydrophobicContact CG2-CE3 3.83Å; V1323-W1336 HydrophobicContact CG2-CH2 4.02Å; V1323-W1336 HydrophobicContact CG2-CZ2 4.18Å; V1323-W1336 HydrophobicContact CG2-CZ3 3.82Å; Y1334-W1336 AromaticContact CG-NE1 3.95Å |
| 1337 | Y | 88.8 | Confident | 88.4 | Confident | 12 Ų | 12 | 38.2 Ų | 38.2 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 141.8 | 167.6 | -176 | -111.7 | 0 | 0 | 0 | 110.6 | M1177 I1237 H1239 F1241 E1318 L1320 A1339 | M1177-Y1337 HydrophobicContact CE-CE2 4.05Å; I1237-Y1337 HydrophobicContact CD1-CD2 4.45Å; H1239-Y1337 PolarHBondContact O-N 3.39Å; F1241-Y1337 PolarHBondContact N-O 3.18Å; E1318-Y1337 PolarHBondContact OE1-OH 3.29Å; E1318-Y1337 PolarHBondContact OE2-OH 3.36Å; L1320-Y1337 HydrophobicContact CD2-CD2 4.03Å; Y1337-A1339 HydrophobicContact CE1-CB 3.76Å |
| 1338 | W | 89.5 | Confident | 88.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 127.2 | 175.8 | -75.7 | 67.2 | 0 | 0 | 0 | 109.6 | F1241 F1243 M1251 K1253 L1255 I1306 E1318 F1319 I1340 | F1241-W1338 HydrophobicContact CB-CD2 4.21Å; F1241-W1338 AromaticContact CD2-CE2 3.85Å; F1241-W1338 HydrophobicContact CD2-CZ2 4.11Å; F1241-W1338 AromaticContact CD2-NE1 3.63Å; F1241-W1338 HydrophobicContact CG-CZ2 4.33Å; F1241-W1338 WeakPolarHBondContact O-CA 3.48Å; F1243-W1338 HydrophobicContact CD2-CE3 4.06Å; F1243-W1338 AromaticContact CD2-CZ3 3.94Å; F1243-W1338 HydrophobicContact CD2-CZ3 3.94Å; F1243-W1338 AromaticContact CE2-CE3 3.8Å; F1243-W1338 HydrophobicContact CE2-CE3 3.8Å; F1243-W1338 AromaticContact CE2-CH2 3.86Å; F1243-W1338 HydrophobicContact CE2-CH2 3.86Å; F1243-W1338 AromaticContact CE2-CZ3 3.39Å; F1243-W1338 HydrophobicContact CE2-CZ3 3.39Å; F1243-W1338 HydrophobicContact CZ-CH2 4.5Å; F1243-W1338 HydrophobicContact CZ-CZ3 4.35Å; M1251-W1338 HydrophobicContact CE-CE3 4.44Å; M1251-W1338 HydrophobicContact CE-CZ3 4Å; M1251-W1338 HydrophobicContact SD-CZ3 4.21Å; K1253-W1338 HydrophobicContact CB-CH2 4.38Å; K1253-W1338 HydrophobicContact CG-CH2 4.35Å; L1255-W1338 HydrophobicContact CD1-CH2 4.28Å; L1255-W1338 HydrophobicContact CD1-CZ2 3.77Å; I1306-W1338 HydrophobicContact CB-CH2 4.44Å; I1306-W1338 HydrophobicContact CD1-CH2 3.52Å; I1306-W1338 HydrophobicContact CD1-CZ2 3.31Å; I1306-W1338 HydrophobicContact CG2-CH2 4.27Å; I1306-W1338 HydrophobicContact CG2-CZ3 4.35Å; E1318-W1338 VanDerWaalsContact CA-O 3.25Å; E1318-W1338 WeakPolarHBondContact CA-O 3.27Å; F1319-W1338 HydrophobicContact CD1-CB 4.04Å; F1319-W1338 HydrophobicContact CD2-CB 3.84Å; F1319-W1338 HydrophobicContact CD2-CG 4.13Å; F1319-W1338 HydrophobicContact CE1-CB 3.69Å; F1319-W1338 HydrophobicContact CE1-CG 4.3Å; F1319-W1338 HydrophobicContact CE2-CB 3.48Å; F1319-W1338 VanDerWaalsContact CE2-CB 3.48Å; F1319-W1338 AromaticContact CE2-CD1 3.78Å; F1319-W1338 AromaticContact CE2-CD2 3.88Å; F1319-W1338 HydrophobicContact CE2-CD2 3.88Å; F1319-W1338 HydrophobicContact CE2-CE3 4.42Å; F1319-W1338 AromaticContact CE2-CG 3.41Å; F1319-W1338 HydrophobicContact CE2-CG 3.41Å; F1319-W1338 VanDerWaalsContact CE2-CG 3.41Å; F1319-W1338 HydrophobicContact CG-CB 4.11Å; F1319-W1338 HydrophobicContact CZ-CB 3.4Å; F1319-W1338 VanDerWaalsContact CZ-CB 3.4Å; F1319-W1338 AromaticContact CZ-CD2 3.67Å; F1319-W1338 HydrophobicContact CZ-CD2 3.67Å; F1319-W1338 AromaticContact CZ-CE3 3.77Å; F1319-W1338 HydrophobicContact CZ-CE3 3.77Å; F1319-W1338 AromaticContact CZ-CG 3.51Å; F1319-W1338 HydrophobicContact CZ-CG 3.51Å; F1319-W1338 PolarHBondContact N-O 3.35Å; F1319-W1338 PolarHBondContact O-N 3.45Å; W1338-I1340 HydrophobicContact CE3-CD1 4.27Å; W1338-I1340 HydrophobicContact CE3-CG1 4.49Å |
| 1339 | A | 89.7 | Confident | 89.3 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 104.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | F1241 R1242 F1243 V1316 E1318 Y1337 | F1241-A1339 PolarHBondContact O-N 2.84Å; R1242-A1339 WeakPolarHBondContact CA-O 3.25Å; F1243-A1339 PolarHBondContact N-O 2.95Å; V1316-A1339 HydrophobicContact CG1-CB 4.23Å; E1318-A1339 HydrophobicContact CG-CB 4.26Å; Y1337-A1339 HydrophobicContact CE1-CB 3.76Å |
| 1340 | I | 90.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 110.5 | -177.5 | -49.1 | 169.6 | 0 | 0 | 0 | 109.3 | F1243 H1245 M1251 V1308 L1310 V1316 R1317 F1319 W1338 | F1243-I1340 HydrophobicContact CB-CG2 4.3Å; H1245-I1340 HydrophobicContact CB-CG2 4.15Å; M1251-I1340 HydrophobicContact CE-CD1 3.51Å; M1251-I1340 HydrophobicContact CE-CG1 3.74Å; M1251-I1340 HydrophobicContact CE-CG2 4.11Å; M1251-I1340 HydrophobicContact SD-CD1 4.15Å; V1308-I1340 HydrophobicContact CB-CD1 3.9Å; V1308-I1340 HydrophobicContact CG1-CD1 3.91Å; V1308-I1340 HydrophobicContact CG2-CD1 3.81Å; L1310-I1340 HydrophobicContact CD1-CG2 3.62Å; L1310-I1340 HydrophobicContact CD2-CB 3.96Å; L1310-I1340 HydrophobicContact CD2-CD1 4.28Å; L1310-I1340 HydrophobicContact CD2-CG2 3.68Å; L1310-I1340 HydrophobicContact CG-CG2 4.31Å; V1316-I1340 CarbonylContact C-O 3.56Å; V1316-I1340 WeakPolarHBondContact CA-O 3.38Å; R1317-I1340 PolarHBondContact N-O 2.73Å; R1317-I1340 PolarHBondContact O-N 3.37Å; F1319-I1340 HydrophobicContact CE1-CD1 3.92Å; F1319-I1340 HydrophobicContact CZ-CD1 4.42Å; W1338-I1340 HydrophobicContact CE3-CD1 4.27Å; W1338-I1340 HydrophobicContact CE3-CG1 4.49Å |
| 1341 | H | 91.3 | Very high | 89.8 | Confident | 34 Ų | 34 | 38.8 Ų | 38.8 | 16% | 0.157 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 130.3 | 174.9 | -63 | -99.8 | 0 | 0 | 0 | 109.7 | W830 R1242 F1243 F1244 H1245 V1316 L1343 | W830-H1341 AromaticContact CH2-CE1 3.94Å; W830-H1341 AromaticContact CH2-NE2 3.98Å; R1242-H1341 VanDerWaalsContact CD-NE2 3.33Å; R1242-H1341 WeakPolarHBondContact CD-NE2 3.32Å; R1242-H1341 PolarHBondContact NE-NE2 3.16Å; F1243-H1341 PolarHBondContact O-N 3.05Å; F1244-H1341 HydrophobicContact CD1-CB 3.67Å; F1244-H1341 AromaticContact CD1-CG 3.9Å; F1244-H1341 HydrophobicContact CE1-CB 4.03Å; F1244-H1341 AromaticContact CE1-CD2 3.72Å; F1244-H1341 AromaticContact CE1-CG 3.71Å; F1244-H1341 HydrophobicContact CG-CB 4.49Å; H1245-H1341 PolarHBondContact N-O 2.9Å; V1316-H1341 WeakPolarHBondContact CG2-ND1 3.31Å; H1341-L1343 HydrophobicContact CB-CD1 4.06Å; H1341-L1343 WeakPolarHBondContact O-CD1 3.44Å |
| 1342 | S | 92.2 | Very high | 90 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 125.1 | 175 | -46.9 | 0 | 0 | 0 | 0 | 109.8 | H1245 S1313 Q1315 | H1245-S1342 WeakPolarHBondContact O-CA 3.39Å; S1313-S1342 WeakPolarHBondContact CA-O 3.38Å; Q1315-S1342 WeakPolarHBondContact O-CB 3.47Å; Q1315-S1342 PolarHBondContact O-N 3.34Å; Q1315-S1342 PolarHBondContact O-OG 2.85Å |
| 1343 | L | 92.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144 | -179.9 | -59.7 | 91.4 | 0 | 0 | 0 | 110.9 | F1244 H1245 P1246 E1247 H1341 R1345 Q1434 A1448 I1450 | F1244-L1343 HydrophobicContact CB-CD1 3.72Å; F1244-L1343 HydrophobicContact CD1-CD1 4.09Å; F1244-L1343 HydrophobicContact CG-CD1 4.42Å; H1245-L1343 PolarHBondContact O-N 2.86Å; P1246-L1343 CarbonylContact C-O 3.52Å; P1246-L1343 VanDerWaalsContact CA-O 3.29Å; P1246-L1343 WeakPolarHBondContact CA-O 3.37Å; E1247-L1343 PolarHBondContact N-O 3.13Å; H1341-L1343 HydrophobicContact CB-CD1 4.06Å; H1341-L1343 WeakPolarHBondContact O-CD1 3.44Å; L1343-R1345 PolarHBondContact O-N 3.38Å; L1343-Q1434 HydrophobicContact CD2-CG 3.88Å; L1343-A1448 WeakPolarHBondContact CA-O 3.43Å; L1343-A1448 HydrophobicContact CD2-CB 3.87Å; L1343-A1448 HydrophobicContact CG-CB 3.96Å; L1343-I1450 HydrophobicContact CB-CB 3.98Å; L1343-I1450 HydrophobicContact CB-CG2 3.87Å; L1343-I1450 HydrophobicContact CD2-CB 4.26Å |
| 1344 | Q | 92.8 | Very high | 90.3 | Very high | 67 Ų | 67 | 31.2 Ų | 31.2 | 31% | 0.313 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 115.5 | 176.5 | 179.7 | 168.8 | 42.7 | 0 | 0 | 109.7 | E1247 A1448 W1449 I1450 | E1247-Q1344 HydrophobicContact CG-CB 4.46Å; E1247-Q1344 VanDerWaalsContact OE1-CB 3.31Å; E1247-Q1344 WeakPolarHBondContact OE1-CB 3.44Å; E1247-Q1344 VanDerWaalsContact OE1-CG 3.24Å; E1247-Q1344 WeakPolarHBondContact OE1-CG 3.4Å; Q1344-A1448 PolarHBondContact N-O 2.86Å; Q1344-W1449 VanDerWaalsContact CB-CD1 3.49Å; Q1344-W1449 HydrophobicContact CB-CG 4.39Å; Q1344-W1449 VanDerWaalsContact O-CA 3.24Å; Q1344-W1449 WeakPolarHBondContact O-CA 3.42Å; Q1344-I1450 PolarHBondContact O-N 3.03Å |
| 1345 | R | 92.9 | Very high | 90.4 | Very high | 125 Ų | 125 | 30.6 Ų | 30.6 | 47% | 0.472 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 138.4 | -178.3 | 178.3 | 176 | 175.4 | 155.8 | 1.6 | 111.5 | P1246 L1343 D1347 I1450 | P1246-R1345 HydrophobicContact CB-CB 3.9Å; P1246-R1345 HydrophobicContact CG-CB 3.95Å; P1246-R1345 HydrophobicContact CG-CG 4.25Å; L1343-R1345 PolarHBondContact O-N 3.38Å; R1345-D1347 IonicContact CZ-OD1 3.88Å; R1345-D1347 VanDerWaalsContact CZ-OD1 3.28Å; R1345-D1347 IonicContact CZ-OD2 3.18Å; R1345-D1347 VanDerWaalsContact NE-CG 3.29Å; R1345-D1347 IonicContact NE-OD1 3.24Å; R1345-D1347 PolarHBondContact NE-OD1 2.84Å; R1345-D1347 IonicContact NE-OD2 3.91Å; R1345-D1347 PolarHBondContact NE-OD2 2.79Å; R1345-D1347 IonicContact NH2-OD1 3.92Å; R1345-D1347 PolarHBondContact NH2-OD1 2.96Å; R1345-D1347 IonicContact NH2-OD2 2.76Å; R1345-I1450 WeakPolarHBondContact CA-O 3.27Å; R1345-I1450 HydrophobicContact CB-CG2 4.18Å |
| 1346 | V | 92.6 | Very high | 90.5 | Very high | 30 Ų | 30 | 30.5 Ų | 30.5 | 18% | 0.182 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 116.1 | 169.1 | -179 | 0 | 0 | 0 | 0 | 108.6 | I1359 L1361 I1450 L1451 C1452 | V1346-I1359 HydrophobicContact CG1-CG2 3.97Å; V1346-L1361 HydrophobicContact CB-CD2 4.45Å; V1346-L1361 HydrophobicContact CG1-CD2 4.36Å; V1346-L1361 HydrophobicContact CG2-CD2 3.7Å; V1346-I1450 PolarHBondContact N-O 2.6Å; V1346-L1451 HydrophobicContact CB-CD2 3.86Å; V1346-L1451 HydrophobicContact CG1-CD2 4.39Å; V1346-L1451 HydrophobicContact CG2-CD2 4.32Å; V1346-L1451 CarbonylContact O-C 3.58Å; V1346-L1451 WeakPolarHBondContact O-CA 3.39Å; V1346-C1452 PolarHBondContact O-N 2.94Å |
| 1347 | D | 92.2 | Very high | 90.4 | Very high | 97 Ų | 97 | 35.1 Ų | 35.1 | 52% | 0.519 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 136.5 | 176.2 | -67.1 | -77.3 | 0 | 0 | 0 | 111.1 | R1345 C1452 | R1345-D1347 IonicContact CZ-OD1 3.88Å; R1345-D1347 VanDerWaalsContact CZ-OD1 3.28Å; R1345-D1347 IonicContact CZ-OD2 3.18Å; R1345-D1347 VanDerWaalsContact NE-CG 3.29Å; R1345-D1347 IonicContact NE-OD1 3.24Å; R1345-D1347 PolarHBondContact NE-OD1 2.84Å; R1345-D1347 IonicContact NE-OD2 3.91Å; R1345-D1347 PolarHBondContact NE-OD2 2.79Å; R1345-D1347 IonicContact NH2-OD1 3.92Å; R1345-D1347 PolarHBondContact NH2-OD1 2.96Å; R1345-D1347 IonicContact NH2-OD2 2.76Å; D1347-C1452 WeakPolarHBondContact CA-O 3.47Å; D1347-C1452 WeakPolarHBondContact OD1-CB 3.48Å |
| 1348 | A | 91.7 | Very high | 90.3 | Very high | 15 Ų | 15 | 37.7 Ų | 37.7 | 12% | 0.124 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 156.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1359 L1423 C1452 V1453 D1454 | A1348-I1359 HydrophobicContact CB-CD1 3.68Å; A1348-L1423 HydrophobicContact CB-CD1 3.71Å; A1348-C1452 PolarHBondContact N-O 2.84Å; A1348-V1453 HydrophobicContact CB-CG2 4.38Å; A1348-V1453 WeakPolarHBondContact O-CA 3.35Å; A1348-D1454 PolarHBondContact O-N 3.35Å |
| 1349 | I | 92.6 | Very high | 90.3 | Very high | 103 Ų | 103 | 39.5 Ų | 39.5 | 53% | 0.528 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 131.2 | 173.3 | -60.4 | 163.2 | 0 | 0 | 0 | 106.9 | D1454 R1456 | I1349-D1454 HydrophobicContact CG1-CB 4.17Å; I1349-R1456 HydrophobicContact CG2-CG 4.3Å |
| 1350 | A | 91.6 | Very high | 90.4 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 152.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1423 P1425 V1453 D1454 A1455 R1456 | A1350-L1423 HydrophobicContact CB-CB 4.31Å; A1350-P1425 HydrophobicContact CB-CG 3.81Å; A1350-V1453 HydrophobicContact CB-CG1 4.01Å; A1350-D1454 PolarHBondContact N-O 2.84Å; A1350-A1455 CarbonylContact O-C 3.49Å; A1350-A1455 WeakPolarHBondContact O-CA 3.48Å; A1350-R1456 PolarHBondContact O-N 3.2Å |
| 1351 | T | 92.2 | Very high | 90.4 | Very high | 48 Ų | 48 | 41.3 Ų | 41.3 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.2 | 174 | -52.9 | 0 | 0 | 0 | 0 | 108.9 | G1353 Q1354 P1458 | T1351-G1353 PolarHBondContact O-N 3.07Å; T1351-Q1354 PolarHBondContact O-N 2.82Å; T1351-P1458 HydrophobicContact CG2-CB 4.02Å |
| 1352 | V | 89.3 | Confident | 90.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 134 | -176.7 | 164.9 | 0 | 0 | 0 | 0 | 112.2 | Q1354 P1425 K1426 Y1427 V1428 A1455 R1456 F1538 N1546 | V1352-Q1354 PolarHBondContact O-N 3.18Å; V1352-Q1354 VanDerWaalsContact O-N 3.15Å; V1352-P1425 WeakPolarHBondContact CA-O 3.31Å; V1352-P1425 HydrophobicContact CG2-CG 4.32Å; V1352-K1426 WeakPolarHBondContact CG1-O 3.38Å; V1352-Y1427 VanDerWaalsContact CG2-C 3.43Å; V1352-Y1427 WeakPolarHBondContact CG2-O 3.49Å; V1352-V1428 HydrophobicContact CB-CG2 4.29Å; V1352-V1428 HydrophobicContact CG2-CB 4.46Å; V1352-V1428 HydrophobicContact CG2-CG2 3.84Å; V1352-A1455 HydrophobicContact CG2-CB 3.99Å; V1352-R1456 WeakPolarHBondContact CG2-O 3.31Å; V1352-R1456 PolarHBondContact N-O 3.11Å; V1352-F1538 HydrophobicContact CG1-CE1 4.04Å; V1352-F1538 HydrophobicContact CG1-CZ 3.73Å; V1352-N1546 PolarHBondContact O-ND2 2.98Å |
| 1353 | G | 84.1 | Confident | 90.1 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | -15.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | T1351 C1424 P1425 K1540 N1546 | T1351-G1353 PolarHBondContact O-N 3.07Å; G1353-C1424 PolarHBondContact O-SG 3.48Å; G1353-P1425 PolarHBondContact N-O 2.94Å; G1353-K1540 WeakPolarHBondContact O-CE 3.33Å; G1353-K1540 PolarHBondContact O-NZ 3.35Å; G1353-N1546 PolarHBondContact O-OD1 2.84Å |
| 1354 | Q | 88.9 | Confident | 89.9 | Confident | 54 Ų | 54 | 49.5 Ų | 49.5 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -88.3 | 143.7 | 177.5 | 179.5 | 172.6 | -27.1 | 0 | 0 | 110.9 | T1351 V1352 C1424 | T1351-Q1354 PolarHBondContact O-N 2.82Å; V1352-Q1354 PolarHBondContact O-N 3.18Å; V1352-Q1354 VanDerWaalsContact O-N 3.15Å; Q1354-C1424 VanDerWaalsContact C-SG 3.56Å; Q1354-C1424 PolarHBondContact O-SG 2.89Å; Q1354-C1424 VanDerWaalsContact O-SG 3.38Å |
| 1355 | L | 87.2 | Confident | 89.4 | Confident | 29 Ų | 29 | 46.3 Ų | 46.3 | 15% | 0.152 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 127.4 | 170.1 | -168.7 | 66 | 0 | 0 | 0 | 110.7 | F1388 R1422 C1424 G1544 | L1355-F1388 HydrophobicContact CD1-CD2 3.75Å; L1355-F1388 HydrophobicContact CD1-CE2 4.03Å; L1355-R1422 HydrophobicContact CD1-CB 3.72Å; L1355-R1422 HydrophobicContact CG-CB 4.16Å; L1355-C1424 HydrophobicContact CD1-CB 4.18Å; L1355-G1544 PolarHBondContact N-O 3Å |
| 1356 | S | 89.7 | Confident | 88.7 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -71.5 | 159.4 | 180 | 82 | 0 | 0 | 0 | 0 | 112.6 | L1423 | S1356-L1423 WeakPolarHBondContact CB-O 3.18Å; S1356-L1423 PolarHBondContact N-O 2.96Å; S1356-L1423 PolarHBondContact OG-N 2.83Å |
| 1357 | P | 86.5 | Confident | 87.7 | Confident | 101 Ų | 101 | 47.1 Ų | 47.1 | 66% | 0.656 | 26% | 0.263 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 151.5 | 158.5 | -22.6 | 34.3 | 0 | 0 | 0 | 111.3 | I1359 | P1357-I1359 PolarHBondContact O-N 2.9Š|
| 1358 | P | 86.6 | Confident | 86.7 | Confident | 65 Ų | 65 | 44.2 Ų | 44.2 | 42% | 0.422 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -70 | 126 | 178.2 | 28.2 | -33.2 | 0 | 0 | 0 | 112 | K1420 V1421 R1422 | P1358-K1420 HydrophobicContact CB-CB 4.2Å; P1358-V1421 CarbonylContact C-O 3.6Å; P1358-V1421 WeakPolarHBondContact CA-O 3.47Å; P1358-R1422 HydrophobicContact CB-CG 4.14Å |
| 1359 | I | 90.3 | Very high | 85.5 | Confident | 38 Ų | 38 | 44.3 Ų | 44.3 | 20% | 0.195 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 132.2 | 174.5 | -58.2 | 164.4 | 0 | 0 | 0 | 108.2 | V1346 A1348 P1357 K1420 V1421 L1423 | V1346-I1359 HydrophobicContact CG1-CG2 3.97Å; A1348-I1359 HydrophobicContact CB-CD1 3.68Å; P1357-I1359 PolarHBondContact O-N 2.9Å; I1359-K1420 WeakPolarHBondContact O-CA 3.48Å; I1359-V1421 PolarHBondContact N-O 2.88Å; I1359-V1421 PolarHBondContact O-N 2.86Å; I1359-L1423 HydrophobicContact CD1-CD1 3.69Å; I1359-L1423 HydrophobicContact CD1-CG 4.2Å |
| 1360 | G | 89.9 | Confident | 84.2 | Confident | 36 Ų | 36 | 45.2 Ų | 45.2 | 37% | 0.371 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 123.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1418 L1419 | G1360-E1418 WeakPolarHBondContact CA-OE1 3.42Å; G1360-L1419 WeakPolarHBondContact CA-O 3.33Å |
| 1361 | L | 91.3 | Very high | 82.7 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.8 | 167.2 | -53.6 | -177 | 0 | 0 | 0 | 109.8 | V1346 E1418 L1419 V1421 W1449 L1451 | V1346-L1361 HydrophobicContact CB-CD2 4.45Å; V1346-L1361 HydrophobicContact CG1-CD2 4.36Å; V1346-L1361 HydrophobicContact CG2-CD2 3.7Å; L1361-E1418 WeakPolarHBondContact O-CA 3.46Å; L1361-L1419 HydrophobicContact CB-CB 4.27Å; L1361-L1419 PolarHBondContact N-O 3.48Å; L1361-L1419 PolarHBondContact O-N 3.23Å; L1361-V1421 HydrophobicContact CD1-CG2 3.53Å; L1361-V1421 HydrophobicContact CG-CG2 3.83Å; L1361-W1449 HydrophobicContact CB-CH2 4.41Å; L1361-W1449 HydrophobicContact CB-CZ2 4.15Å; L1361-W1449 HydrophobicContact CD1-CD2 3.85Å; L1361-W1449 HydrophobicContact CD1-CE3 3.85Å; L1361-W1449 HydrophobicContact CD1-CG 4.17Å; L1361-W1449 HydrophobicContact CD1-CZ3 4.26Å; L1361-L1451 HydrophobicContact CD2-CD2 4.38Å |
| 1362 | L | 89.4 | Confident | 81.1 | Confident | 90 Ų | 90 | 55.5 Ų | 55.5 | 47% | 0.471 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 108.8 | -177.9 | -75.4 | 166.7 | 0 | 0 | 0 | 111.5 | V1416 E1418 | L1362-V1416 HydrophobicContact CD2-CG1 4.05Å; L1362-E1418 HydrophobicContact CD2-CB 4.37Å; L1362-E1418 HydrophobicContact CD2-CG 4.18Å |
| 1363 | L | 88.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 101.5 | 173.1 | -178 | 62.5 | 0 | 0 | 0 | 110.2 | F1368 I1377 V1416 Y1417 V1437 R1447 W1449 | L1363-F1368 HydrophobicContact CD1-CE1 3.74Å; L1363-F1368 HydrophobicContact CD1-CZ 3.83Å; L1363-F1368 HydrophobicContact CG-CZ 4.35Å; L1363-I1377 HydrophobicContact CD2-CD1 3.4Å; L1363-I1377 VanDerWaalsContact CD2-CD1 3.4Å; L1363-V1416 WeakPolarHBondContact O-CA 3.24Å; L1363-Y1417 PolarHBondContact N-O 2.92Å; L1363-Y1417 PolarHBondContact O-N 2.97Å; L1363-V1437 HydrophobicContact CD1-CG1 4.35Å; L1363-V1437 HydrophobicContact CD1-CG2 4.37Å; L1363-V1437 HydrophobicContact CD2-CG1 4.41Å; L1363-R1447 HydrophobicContact CD1-CB 4.24Å; L1363-R1447 HydrophobicContact CD1-CG 3.8Å; L1363-W1449 HydrophobicContact CB-CH2 4.33Å; L1363-W1449 HydrophobicContact CD1-CH2 4.2Å |
| 1364 | R | 86.6 | Confident | 80.1 | Confident | 120 Ų | 120 | 61.5 Ų | 61.5 | 45% | 0.453 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 129.8 | 166.3 | -59 | -168.5 | 178.1 | 85.2 | 3.2 | 109.7 | F1368 V1416 | R1364-F1368 WeakPolarHBondContact O-CE1 3.33Å; R1364-V1416 HydrophobicContact CG-CG1 4.14Å; R1364-V1416 HydrophobicContact CG-CG2 4.03Å |
| 1365 | T | 82.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -86.5 | -17.7 | 177.7 | 54.9 | 0 | 0 | 0 | 0 | 113.3 | D1367 F1368 M1369 V1411 T1412 R1414 S1415 Y1417 | T1365-D1367 PolarHBondContact O-N 2.87Å; T1365-D1367 VanDerWaalsContact O-N 3.16Å; T1365-F1368 HydrophobicContact CG2-CE2 4.13Å; T1365-F1368 HydrophobicContact CG2-CZ 3.95Å; T1365-F1368 PolarHBondContact O-N 2.94Å; T1365-F1368 VanDerWaalsContact O-N 3.08Å; T1365-M1369 HydrophobicContact CG2-SD 4.18Å; T1365-M1369 PolarHBondContact O-N 3.24Å; T1365-V1411 HydrophobicContact CG2-CB 3.94Å; T1365-V1411 HydrophobicContact CG2-CG2 4.12Å; T1365-T1412 PolarHBondContact OG1-O 3.2Å; T1365-R1414 PolarHBondContact OG1-N 3.36Å; T1365-S1415 PolarHBondContact N-O 3.23Å; T1365-S1415 VanDerWaalsContact N-O 3.1Å; T1365-S1415 PolarHBondContact OG1-N 3.3Å; T1365-S1415 PolarHBondContact OG1-O 2.71Å; T1365-Y1417 HydrophobicContact CG2-CD2 4.32Å; T1365-Y1417 HydrophobicContact CG2-CE2 3.98Å |
| 1366 | D | 78.1 | Confident | 79.8 | Confident | 83 Ų | 83 | 65.3 Ų | 65.3 | 44% | 0.444 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -40.2 | -176.1 | -36.5 | -7 | 0 | 0 | 0 | 112.1 | R1414 | D1366-R1414 WeakPolarHBondContact OD1-CA 3.48Š|
| 1367 | D | 71.8 | Confident | 79.8 | Confident | 88 Ų | 88 | 64.7 Ų | 64.7 | 47% | 0.471 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -17.9 | -175.6 | -55.7 | -105 | 0 | 0 | 0 | 114.6 | T1365 R1447 | T1365-D1367 PolarHBondContact O-N 2.87Å; T1365-D1367 VanDerWaalsContact O-N 3.16Å; D1367-R1447 VanDerWaalsContact CB-NH2 3.33Å; D1367-R1447 IonicContact OD1-NH2 3.21Å; D1367-R1447 PolarHBondContact OD1-NH2 2.93Å; D1367-R1447 IonicContact OD2-CZ 3.97Å; D1367-R1447 IonicContact OD2-NH2 2.71Å; D1367-R1447 PolarHBondContact OD2-NH2 2.99Å |
| 1368 | F | 71.3 | Confident | 80 | Confident | 36 Ų | 36 | 60.1 Ų | 60.1 | 16% | 0.158 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.3 | 5.7 | -172.9 | 61.1 | -106.2 | 0 | 0 | 0 | 115 | L1363 R1364 T1365 L1446 R1447 | L1363-F1368 HydrophobicContact CD1-CE1 3.74Å; L1363-F1368 HydrophobicContact CD1-CZ 3.83Å; L1363-F1368 HydrophobicContact CG-CZ 4.35Å; R1364-F1368 WeakPolarHBondContact O-CE1 3.33Å; T1365-F1368 HydrophobicContact CG2-CE2 4.13Å; T1365-F1368 HydrophobicContact CG2-CZ 3.95Å; T1365-F1368 PolarHBondContact O-N 2.94Å; T1365-F1368 VanDerWaalsContact O-N 3.08Å; F1368-L1446 HydrophobicContact CB-CD2 4.26Å; F1368-L1446 HydrophobicContact CD1-CB 4.17Å; F1368-L1446 HydrophobicContact CD2-CB 4.07Å; F1368-L1446 HydrophobicContact CD2-CD1 3.93Å; F1368-L1446 HydrophobicContact CD2-CD2 3.95Å; F1368-L1446 HydrophobicContact CD2-CG 4.21Å; F1368-L1446 HydrophobicContact CE1-CB 4.29Å; F1368-L1446 HydrophobicContact CE2-CB 4.22Å; F1368-L1446 HydrophobicContact CE2-CD1 3.79Å; F1368-L1446 HydrophobicContact CE2-CG 4.45Å; F1368-L1446 HydrophobicContact CG-CB 4.06Å; F1368-L1446 HydrophobicContact CG-CD2 4.23Å; F1368-L1446 HydrophobicContact CZ-CB 4.31Å; F1368-L1446 HydrophobicContact CZ-CD1 4.44Å; F1368-R1447 HydrophobicContact CD1-CG 4.3Å; F1368-R1447 HydrophobicContact CE1-CG 3.96Å |
| 1369 | M | 67.2 | Low | 80.2 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 8% | 0.084 | 32% | 0.324 | C | S | . | . | trans | -127.2 | 89.6 | 175.3 | -63.1 | -170.6 | 65.7 | 0 | 0 | 111.5 | T1365 G1373 K1375 V1411 | T1365-M1369 HydrophobicContact CG2-SD 4.18Å; T1365-M1369 PolarHBondContact O-N 3.24Å; M1369-G1373 WeakPolarHBondContact CE-O 3.05Å; M1369-K1375 HydrophobicContact CE-CB 4.13Å; M1369-K1375 HydrophobicContact CE-CD 4.24Å; M1369-K1375 HydrophobicContact CE-CG 3.9Å; M1369-K1375 HydrophobicContact CG-CD 4.44Å; M1369-K1375 HydrophobicContact SD-CB 4.46Å; M1369-K1375 HydrophobicContact SD-CD 4.46Å; M1369-V1411 HydrophobicContact SD-CG2 4.23Å | ||
| 1370 | S | 63.5 | Low | 80.2 | Confident | 122 Ų | 122 | 56.5 Ų | 56.5 | 85% | 0.853 | 32% | 0.318 | S | S | * | . | trans | -73.8 | -27.6 | 179 | 52.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1371 | N | 60.5 | Low | 80.1 | Confident | 132 Ų | 132 | 56 Ų | 56 | 71% | 0.706 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -105 | 150.9 | -179.2 | -90.9 | -15 | 0 | 0 | 0 | 112.6 | G1373 | N1371-G1373 PolarHBondContact O-N 3.06Å; N1371-G1373 VanDerWaalsContact O-N 3.08Å |
| 1372 | T | 59.9 | Low | 79.8 | Confident | 137 Ų | 137 | 57.7 Ų | 57.7 | 84% | 0.84 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -67.7 | 101.1 | 170.1 | 45.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1373 | G | 70.6 | Confident | 79.5 | Confident | 41 Ų | 41 | 55.9 Ų | 55.9 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | trans | -165.8 | 174.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | M1369 N1371 S1413 | M1369-G1373 WeakPolarHBondContact CE-O 3.05Å; N1371-G1373 PolarHBondContact O-N 3.06Å; N1371-G1373 VanDerWaalsContact O-N 3.08Å; G1373-S1413 PolarHBondContact O-N 2.93Å | ||
| 1374 | S | 80.3 | Confident | 79 | Confident | 87 Ų | 87 | 58.3 Ų | 58.3 | 61% | 0.608 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 151.5 | 163.7 | 56.2 | 0 | 0 | 0 | 0 | 110.2 | V1411 | S1374-V1411 CarbonylContact C-O 3.55Å; S1374-V1411 WeakPolarHBondContact CA-O 3.39Å |
| 1375 | K | 83.5 | Confident | 78.5 | Confident | 57 Ų | 57 | 54.5 Ų | 54.5 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.2 | 172.4 | -82.2 | -174.6 | 167.4 | -162.7 | 0 | 109.8 | M1369 C1410 V1411 D1439 | M1369-K1375 HydrophobicContact CE-CB 4.13Å; M1369-K1375 HydrophobicContact CE-CD 4.24Å; M1369-K1375 HydrophobicContact CE-CG 3.9Å; M1369-K1375 HydrophobicContact CG-CD 4.44Å; M1369-K1375 HydrophobicContact SD-CB 4.46Å; M1369-K1375 HydrophobicContact SD-CD 4.46Å; K1375-C1410 WeakPolarHBondContact O-CA 3.09Å; K1375-V1411 HydrophobicContact CB-CG2 4.44Å; K1375-V1411 PolarHBondContact N-O 3.43Å; K1375-V1411 PolarHBondContact O-N 3.44Å; K1375-D1439 WeakPolarHBondContact CD-OD2 3.33Å; K1375-D1439 VanDerWaalsContact CE-OD2 3.29Å; K1375-D1439 WeakPolarHBondContact CE-OD2 3.44Å; K1375-D1439 IonicContact NZ-OD2 2.69Å; K1375-D1439 PolarHBondContact NZ-OD2 2.9Å |
| 1376 | R | 87.8 | Confident | 78.5 | Confident | 106 Ų | 106 | 54.8 Ų | 54.8 | 40% | 0.4 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 127.9 | 167.2 | -160.3 | -177 | -47.4 | 91.3 | 13.4 | 108.8 | T1408 T1440 D1441 | R1376-T1408 HydrophobicContact CG-CG2 3.58Å; R1376-T1440 WeakPolarHBondContact O-CB 3.35Å; R1376-T1440 PolarHBondContact O-N 3.08Å; R1376-T1440 PolarHBondContact O-OG1 3.26Å; R1376-D1441 IonicContact CZ-OD1 2.7Å; R1376-D1441 PolarHBondContact N-OD2 2.97Å; R1376-D1441 IonicContact NH1-OD1 3.97Å; R1376-D1441 PolarHBondContact NH1-OD1 2.94Å; R1376-D1441 IonicContact NH1-OD2 3.04Å; R1376-D1441 IonicContact NH2-OD1 2.64Å |
| 1377 | I | 90.1 | Very high | 78.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 147.6 | 174.8 | 61.7 | 168.8 | 0 | 0 | 0 | 109.9 | L1363 T1408 L1409 V1411 V1437 V1438 T1440 L1446 | L1363-I1377 HydrophobicContact CD2-CD1 3.4Å; L1363-I1377 VanDerWaalsContact CD2-CD1 3.4Å; I1377-T1408 CarbonylContact O-C 3.49Å; I1377-T1408 VanDerWaalsContact O-CA 3.27Å; I1377-T1408 WeakPolarHBondContact O-CA 3.21Å; I1377-T1408 WeakPolarHBondContact O-CG2 3.18Å; I1377-L1409 HydrophobicContact CD1-CB 4.37Å; I1377-L1409 HydrophobicContact CG1-CB 3.97Å; I1377-L1409 WeakPolarHBondContact CG1-O 3.39Å; I1377-L1409 PolarHBondContact N-O 2.89Å; I1377-L1409 PolarHBondContact O-N 3.46Å; I1377-V1411 HydrophobicContact CD1-CB 4.43Å; I1377-V1411 HydrophobicContact CD1-CG1 3.5Å; I1377-V1411 HydrophobicContact CD1-CG2 4.03Å; I1377-V1411 HydrophobicContact CG1-CG1 3.95Å; I1377-V1411 HydrophobicContact CG1-CG2 4.14Å; I1377-V1411 HydrophobicContact CG2-CG2 3.85Å; I1377-V1437 HydrophobicContact CB-CG1 4.34Å; I1377-V1437 HydrophobicContact CD1-CG1 4.06Å; I1377-V1437 HydrophobicContact CG2-CG1 4.48Å; I1377-V1438 CarbonylContact C-O 3.57Å; I1377-V1438 VanDerWaalsContact CA-O 3.27Å; I1377-V1438 WeakPolarHBondContact CA-O 3.38Å; I1377-T1440 WeakPolarHBondContact CA-OG1 3.41Å; I1377-T1440 PolarHBondContact N-OG1 3.23Å; I1377-L1446 HydrophobicContact CG2-CD1 3.53Å |
| 1378 | T | 90.5 | Very high | 79.6 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 137.9 | 169.4 | -56.7 | 0 | 0 | 0 | 0 | 109.1 | Y1380 D1406 L1407 T1408 V1438 T1440 | T1378-Y1380 HydrophobicContact CG2-CD1 4.36Å; T1378-Y1380 HydrophobicContact CG2-CD2 4.25Å; T1378-Y1380 HydrophobicContact CG2-CE1 3.75Å; T1378-Y1380 HydrophobicContact CG2-CE2 3.63Å; T1378-D1406 HydrophobicContact CG2-CB 3.47Å; T1378-D1406 VanDerWaalsContact CG2-CB 3.47Å; T1378-L1407 WeakPolarHBondContact CA-O 3.24Å; T1378-T1408 WeakPolarHBondContact CG2-OG1 3.46Å; T1378-T1408 PolarHBondContact OG1-OG1 2.9Å; T1378-V1438 PolarHBondContact N-O 3.46Å; T1378-V1438 PolarHBondContact O-N 2.8Å; T1378-T1440 PolarHBondContact OG1-OG1 2.83Å |
| 1379 | I | 90.9 | Very high | 80.3 | Confident | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 120.9 | -176.3 | -57.5 | 149.7 | 0 | 0 | 0 | 108.5 | I1389 L1407 L1409 L1419 V1435 N1436 V1437 | I1379-I1389 HydrophobicContact CG2-CD1 3.8Å; I1379-I1389 HydrophobicContact CG2-CG2 4.35Å; I1379-L1407 HydrophobicContact CD1-CD2 3.89Å; I1379-L1407 HydrophobicContact CD1-CG 4.18Å; I1379-L1407 PolarHBondContact N-O 3.41Å; I1379-L1409 HydrophobicContact CD1-CD1 3.82Å; I1379-L1409 HydrophobicContact CD1-CG 4.47Å; I1379-L1419 HydrophobicContact CD1-CD1 3.63Å; I1379-L1419 HydrophobicContact CD1-CD2 3.56Å; I1379-L1419 HydrophobicContact CD1-CG 4.25Å; I1379-L1419 HydrophobicContact CG1-CD1 4.3Å; I1379-V1435 HydrophobicContact CG2-CG1 3.82Å; I1379-N1436 WeakPolarHBondContact CA-O 3.39Å; I1379-V1437 HydrophobicContact CG1-CB 3.94Å; I1379-V1437 HydrophobicContact CG1-CG2 4.17Å |
| 1380 | Y | 89.2 | Confident | 81 | Confident | 22 Ų | 22 | 48.4 Ų | 48.4 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 151.5 | -176.4 | -58.6 | -84.1 | 0 | 0 | 0 | 111.2 | K833 T1378 D1406 V1435 N1436 V1438 | K833-Y1380 HydrophobicContact CB-CE1 3.99Å; K833-Y1380 HydrophobicContact CB-CE2 4.39Å; K833-Y1380 HydrophobicContact CD-CE1 4.26Å; K833-Y1380 WeakPolarHBondContact O-CE2 3.17Å; T1378-Y1380 HydrophobicContact CG2-CD1 4.36Å; T1378-Y1380 HydrophobicContact CG2-CD2 4.25Å; T1378-Y1380 HydrophobicContact CG2-CE1 3.75Å; T1378-Y1380 HydrophobicContact CG2-CE2 3.63Å; Y1380-D1406 HydrophobicContact CD1-CB 4.27Å; Y1380-D1406 WeakPolarHBondContact CD1-OD1 3.13Å; Y1380-D1406 HydrophobicContact CE1-CB 3.91Å; Y1380-D1406 VanDerWaalsContact CE1-CG 3.42Å; Y1380-V1435 CarbonylContact O-C 3.55Å; Y1380-V1435 WeakPolarHBondContact O-CA 3.44Å; Y1380-N1436 PolarHBondContact N-O 2.89Å; Y1380-N1436 PolarHBondContact O-N 2.83Å; Y1380-V1438 HydrophobicContact CD2-CB 4.31Å; Y1380-V1438 HydrophobicContact CD2-CG2 3.92Å; Y1380-V1438 HydrophobicContact CE2-CB 4.06Å; Y1380-V1438 HydrophobicContact CE2-CG2 4.11Å |
| 1381 | T | 88.5 | Confident | 81.7 | Confident | 24 Ų | 24 | 44 Ų | 44 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 155.4 | 175.1 | 77.5 | 0 | 0 | 0 | 0 | 111 | I836 H1383 P1384 V1387 I1389 Q1434 V1435 | I836-T1381 VanDerWaalsContact CD1-C 3.44Å; T1381-H1383 VanDerWaalsContact C-N 3.25Å; T1381-H1383 PolarHBondContact O-N 2.96Å; T1381-P1384 WeakPolarHBondContact OG1-CA 3.43Å; T1381-V1387 HydrophobicContact CG2-CB 4.2Å; T1381-V1387 HydrophobicContact CG2-CG1 3.92Å; T1381-I1389 HydrophobicContact CG2-CD1 3.36Å; T1381-I1389 HydrophobicContact CG2-CG1 3.77Å; T1381-Q1434 WeakPolarHBondContact CA-O 3.35Å; T1381-V1435 HydrophobicContact CG2-CG1 4.49Å; T1381-V1435 HydrophobicContact CG2-CG2 4.08Å |
| 1382 | S | 84.4 | Confident | 82 | Confident | 40 Ų | 40 | 43 Ų | 43 | 28% | 0.28 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -67.5 | -25.8 | 172.6 | 50.6 | 0 | 0 | 0 | 0 | 113.1 | Q1434 | S1382-Q1434 PolarHBondContact N-O 2.68Å; S1382-Q1434 PolarHBondContact OG-N 3.35Å; S1382-Q1434 PolarHBondContact OG-O 3.39Å |
| 1383 | H | 82.8 | Confident | 81.9 | Confident | 51 Ų | 51 | 45.4 Ų | 45.4 | 24% | 0.236 | 24% | 0.238 | C | C | . | . | trans | -138.4 | 77 | -175.2 | -66.4 | 75.4 | 0 | 0 | 0 | 110.7 | T1381 N1385 E1386 V1387 K1431 Y1433 | T1381-H1383 VanDerWaalsContact C-N 3.25Å; T1381-H1383 PolarHBondContact O-N 2.96Å; H1383-N1385 PolarHBondContact O-N 3.25Å; H1383-E1386 HydrophobicContact CB-CB 4.14Å; H1383-E1386 IonicContact CD2-OE1 2.77Å; H1383-E1386 PolarHBondContact CD2-OE1 2.95Å; H1383-E1386 VanDerWaalsContact CD2-OE1 3.3Å; H1383-E1386 PolarHBondContact O-N 2.83Å; H1383-V1387 HydrophobicContact CB-CG2 4.5Å; H1383-V1387 PolarHBondContact O-N 2.87Å; H1383-K1431 VanDerWaalsContact NE2-CE 3.32Å; H1383-K1431 WeakPolarHBondContact NE2-CE 3.42Å; H1383-K1431 PolarHBondContact NE2-NZ 2.94Å; H1383-Y1433 HydrophobicContact CB-CD1 3.73Å; H1383-Y1433 HydrophobicContact CB-CE1 3.81Å; H1383-Y1433 AromaticContact CG-CD1 3.67Å; H1383-Y1433 AromaticContact CG-CE1 3.74Å; H1383-Y1433 AromaticContact ND1-CD1 3.5Å; H1383-Y1433 AromaticContact ND1-CE1 3.94Å | ||
| 1384 | P | 78.5 | Confident | 81.5 | Confident | 51 Ų | 51 | 45.8 Ų | 45.8 | 33% | 0.331 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.2 | -177.6 | 22.6 | -33 | 0 | 0 | 0 | 114.5 | T1381 | T1381-P1384 WeakPolarHBondContact OG1-CA 3.43Š|
| 1385 | N | 77.1 | Confident | 80.2 | Confident | 41 Ų | 41 | 43 Ų | 43 | 22% | 0.219 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -6.5 | 173.2 | -71.3 | -4.4 | 0 | 0 | 0 | 114.3 | N725 H1383 | N725-N1385 PolarHBondContact ND2-ND2 2.94Å; N725-N1385 VanDerWaalsContact ND2-ND2 3.11Å; N725-N1385 PolarHBondContact ND2-OD1 2.84Å; H1383-N1385 PolarHBondContact O-N 3.25Å |
| 1386 | E | 83 | Confident | 78.7 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.028 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | -15.2 | -179.8 | -66.9 | 177.2 | -98.1 | 0 | 0 | 112.7 | H1383 L1423 C1424 P1425 K1426 K1431 Y1433 | H1383-E1386 HydrophobicContact CB-CB 4.14Å; H1383-E1386 IonicContact CD2-OE1 2.77Å; H1383-E1386 PolarHBondContact CD2-OE1 2.95Å; H1383-E1386 VanDerWaalsContact CD2-OE1 3.3Å; H1383-E1386 PolarHBondContact O-N 2.83Å; E1386-L1423 CarbonylContact O-C 3.53Å; E1386-L1423 WeakPolarHBondContact O-CA 3.45Å; E1386-C1424 PolarHBondContact O-N 3.44Å; E1386-P1425 WeakPolarHBondContact OE2-CA 3.26Å; E1386-K1426 HydrophobicContact CG-CD 4.27Å; E1386-K1426 HydrophobicContact CG-CG 4Å; E1386-K1426 PolarHBondContact OE2-N 2.89Å; E1386-K1431 IonicContact OE1-NZ 3.28Å; E1386-K1431 PolarHBondContact OE1-NZ 3.47Å; E1386-K1431 IonicContact OE2-NZ 3.75Å; E1386-K1431 PolarHBondContact OE2-NZ 2.8Å; E1386-Y1433 HydrophobicContact CB-CE1 3.92Å; E1386-Y1433 PolarHBondContact OE2-OH 2.69Å |
| 1387 | V | 86.3 | Confident | 77 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 102.6 | 180 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | T1381 H1383 I1389 V1421 L1423 Y1433 V1435 L1451 | T1381-V1387 HydrophobicContact CG2-CB 4.2Å; T1381-V1387 HydrophobicContact CG2-CG1 3.92Å; H1383-V1387 HydrophobicContact CB-CG2 4.5Å; H1383-V1387 PolarHBondContact O-N 2.87Å; V1387-I1389 HydrophobicContact CG1-CG1 4.44Å; V1387-V1421 HydrophobicContact CG1-CG1 3.64Å; V1387-L1423 HydrophobicContact CB-CD2 4.42Å; V1387-L1423 HydrophobicContact CG1-CD2 4.13Å; V1387-L1423 HydrophobicContact CG2-CD2 3.88Å; V1387-Y1433 HydrophobicContact CG2-CD1 3.39Å; V1387-Y1433 HydrophobicContact CG2-CD2 4.08Å; V1387-Y1433 HydrophobicContact CG2-CE1 3.86Å; V1387-Y1433 HydrophobicContact CG2-CE2 4.5Å; V1387-Y1433 HydrophobicContact CG2-CG 3.49Å; V1387-Y1433 VanDerWaalsContact CG2-CG 3.49Å; V1387-V1435 HydrophobicContact CG1-CG2 4.37Å; V1387-L1451 HydrophobicContact CG1-CD1 3.93Å |
| 1388 | F | 86 | Confident | 75.1 | Confident | 60 Ų | 60 | 47.1 Ų | 47.1 | 26% | 0.263 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 132.5 | 178.9 | -53.2 | -77.4 | 0 | 0 | 0 | 110.1 | L1355 F1398 V1421 R1422 C1424 | L1355-F1388 HydrophobicContact CD1-CD2 3.75Å; L1355-F1388 HydrophobicContact CD1-CE2 4.03Å; F1388-F1398 HydrophobicContact CB-CD1 4.02Å; F1388-F1398 HydrophobicContact CB-CE1 3.91Å; F1388-V1421 CarbonylContact O-C 3.57Å; F1388-V1421 WeakPolarHBondContact O-CA 3.36Å; F1388-R1422 PolarHBondContact N-O 3.44Å; F1388-R1422 PolarHBondContact O-N 2.67Å; F1388-C1424 HydrophobicContact CE2-CB 3.87Å |
| 1389 | I | 85.7 | Confident | 73 | Confident | 27 Ų | 27 | 51.2 Ų | 51.2 | 14% | 0.138 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 136.3 | 179.6 | -52.9 | -166.4 | 0 | 0 | 0 | 109.5 | I1379 T1381 V1387 L1407 L1419 V1421 V1435 | I1379-I1389 HydrophobicContact CG2-CD1 3.8Å; I1379-I1389 HydrophobicContact CG2-CG2 4.35Å; T1381-I1389 HydrophobicContact CG2-CD1 3.36Å; T1381-I1389 HydrophobicContact CG2-CG1 3.77Å; V1387-I1389 HydrophobicContact CG1-CG1 4.44Å; I1389-L1407 HydrophobicContact CG2-CD2 3.74Å; I1389-L1419 HydrophobicContact CG2-CB 4.38Å; I1389-V1421 HydrophobicContact CD1-CG2 4.1Å; I1389-V1421 HydrophobicContact CG1-CG1 4.3Å; I1389-V1421 HydrophobicContact CG1-CG2 3.98Å; I1389-V1421 HydrophobicContact CG2-CG2 4.29Å; I1389-V1435 HydrophobicContact CD1-CB 4.44Å; I1389-V1435 HydrophobicContact CD1-CG1 3.45Å; I1389-V1435 VanDerWaalsContact CD1-CG1 3.45Å; I1389-V1435 HydrophobicContact CD1-CG2 4.08Å |
| 1390 | G | 82.4 | Confident | 70.8 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | -173 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1394 K1420 | G1390-T1394 VanDerWaalsContact CA-OG1 3.28Å; G1390-T1394 WeakPolarHBondContact CA-OG1 3.33Å; G1390-K1420 PolarHBondContact N-O 2.84Å; G1390-K1420 PolarHBondContact O-N 2.93Å |
| 1391 | T | 77.8 | Confident | 68.3 | Low | 28 Ų | 28 | 62.1 Ų | 62.1 | 17% | 0.172 | 32% | 0.315 | C | S | . | . | trans | -107.2 | 178.1 | 168.5 | 65.3 | 0 | 0 | 0 | 0 | 109.8 | F1393 T1394 S1395 L1409 | T1391-F1393 PolarHBondContact O-N 2.89Å; T1391-F1393 PolarHBondContact OG1-N 2.67Å; T1391-T1394 PolarHBondContact N-OG1 2.93Å; T1391-T1394 PolarHBondContact O-N 3.21Å; T1391-T1394 PolarHBondContact O-OG1 2.97Å; T1391-S1395 PolarHBondContact O-N 2.94Å; T1391-L1409 HydrophobicContact CG2-CD2 4.14Å | ||
| 1392 | E | 67.4 | Low | 66.2 | Low | 111 Ų | 111 | 66.1 Ų | 66.1 | 52% | 0.519 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -52.4 | -43.4 | 171.6 | -63.4 | 169.3 | -104 | 0 | 0 | 112 | S1395 | E1392-S1395 VanDerWaalsContact O-CB 3.31Å; E1392-S1395 WeakPolarHBondContact O-CB 3.49Å; E1392-S1395 PolarHBondContact O-N 2.95Å; E1392-S1395 PolarHBondContact O-OG 3.41Å |
| 1393 | F | 57.4 | Low | 64.6 | Low | 189 Ų | 189 | 66.9 Ų | 66.9 | 83% | 0.829 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -33.6 | -178.2 | -62.8 | -81.8 | 0 | 0 | 0 | 113.7 | T1391 S1395 | T1391-F1393 PolarHBondContact O-N 2.89Å; T1391-F1393 PolarHBondContact OG1-N 2.67Å; F1393-S1395 VanDerWaalsContact C-N 3.31Å |
| 1394 | T | 62.5 | Low | 62.8 | Low | 49 Ų | 49 | 68.3 Ų | 68.3 | 30% | 0.301 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 2.5 | 178.7 | 69 | 0 | 0 | 0 | 0 | 113 | G1390 T1391 N1396 D1397 | G1390-T1394 VanDerWaalsContact CA-OG1 3.28Å; G1390-T1394 WeakPolarHBondContact CA-OG1 3.33Å; T1391-T1394 PolarHBondContact N-OG1 2.93Å; T1391-T1394 PolarHBondContact O-N 3.21Å; T1391-T1394 PolarHBondContact O-OG1 2.97Å; T1394-N1396 PolarHBondContact O-N 3.21Å; T1394-N1396 VanDerWaalsContact O-N 3.13Å; T1394-D1397 PolarHBondContact O-N 3.26Å |
| 1395 | S | 53.3 | Low | 61.8 | Low | 27 Ų | 27 | 74.6 Ų | 74.6 | 19% | 0.189 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -7.8 | -166.2 | 68.5 | 0 | 0 | 0 | 0 | 115.8 | T1391 E1392 F1393 F1398 R1422 | T1391-S1395 PolarHBondContact O-N 2.94Å; E1392-S1395 VanDerWaalsContact O-CB 3.31Å; E1392-S1395 WeakPolarHBondContact O-CB 3.49Å; E1392-S1395 PolarHBondContact O-N 2.95Å; E1392-S1395 PolarHBondContact O-OG 3.41Å; F1393-S1395 VanDerWaalsContact C-N 3.31Å; S1395-F1398 WeakPolarHBondContact O-CD2 3.19Å; S1395-R1422 PolarHBondContact O-NH1 2.78Å; S1395-R1422 PolarHBondContact O-NH2 2.89Å |
| 1396 | N | 50.6 | Low | 61.5 | Low | 146 Ų | 146 | 76.5 Ų | 76.5 | 78% | 0.781 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -28.1 | 178.4 | -67.9 | -28 | 0 | 0 | 0 | 113.8 | T1394 F1398 | T1394-N1396 PolarHBondContact O-N 3.21Å; T1394-N1396 VanDerWaalsContact O-N 3.13Å; N1396-F1398 PolarHBondContact O-N 2.92Å |
| 1397 | D | 52 | Low | 61.4 | Low | 77 Ų | 77 | 77.9 Ų | 77.9 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | trans | -94.1 | 14.1 | -173.3 | -77.8 | -67.1 | 0 | 0 | 0 | 114.5 | T1394 Q1399 K1400 N1401 | T1394-D1397 PolarHBondContact O-N 3.26Å; D1397-Q1399 PolarHBondContact O-N 2.85Å; D1397-K1400 PolarHBondContact O-N 3.23Å; D1397-K1400 IonicContact OD1-NZ 2.65Å; D1397-N1401 PolarHBondContact O-N 2.99Å | ||
| 1398 | F | 52 | Low | 61.3 | Low | 27 Ų | 27 | 80.9 Ų | 80.9 | 12% | 0.118 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -16.9 | 179 | -81.7 | -66.6 | 0 | 0 | 0 | 115.3 | F1388 S1395 N1396 R1422 | F1388-F1398 HydrophobicContact CB-CD1 4.02Å; F1388-F1398 HydrophobicContact CB-CE1 3.91Å; S1395-F1398 WeakPolarHBondContact O-CD2 3.19Å; N1396-F1398 PolarHBondContact O-N 2.92Å; F1398-R1422 HydrophobicContact CE2-CG 4.48Å |
| 1399 | Q | 46.4 | Very low | 61.3 | Low | 90 Ų | 90 | 79.8 Ų | 79.8 | 42% | 0.421 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -18.3 | 171.8 | -77.5 | -154.5 | -12.1 | 0 | 0 | 114.7 | D1397 D1541 E1542 | D1397-Q1399 PolarHBondContact O-N 2.85Å; Q1399-D1541 PolarHBondContact NE2-O 2.94Å; Q1399-D1541 VanDerWaalsContact NE2-O 3.16Å; Q1399-E1542 VanDerWaalsContact NE2-C 3.34Å; Q1399-E1542 PolarHBondContact OE1-O 2.93Å |
| 1400 | K | 43.1 | Very low | 61.3 | Low | 159 Ų | 159 | 82.8 Ų | 82.8 | 69% | 0.691 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -26.9 | 177.5 | -78.4 | -179 | -176 | 160.6 | 0 | 113 | D1397 L1402 | D1397-K1400 PolarHBondContact O-N 3.23Å; D1397-K1400 IonicContact OD1-NZ 2.65Å; K1400-L1402 PolarHBondContact O-N 3.32Å; K1400-L1402 VanDerWaalsContact O-N 3.14Å |
| 1401 | N | 37.6 | Very low | 61.5 | Low | 99 Ų | 99 | 82.8 Ų | 82.8 | 53% | 0.529 | 43% | 0.432 | S | S | . | . | trans | -73 | 106 | 176.7 | -66.7 | -8.1 | 0 | 0 | 0 | 109.5 | D1397 | D1397-N1401 PolarHBondContact O-N 2.99Š| ||
| 1402 | L | 44.8 | Very low | 61.8 | Low | 108 Ų | 108 | 84.6 Ų | 84.6 | 57% | 0.565 | 44% | 0.443 | S | S | * | . | trans | -53.3 | 154.6 | 157.5 | -92 | 67.9 | 0 | 0 | 0 | 109.3 | K1400 T1404 | K1400-L1402 PolarHBondContact O-N 3.32Å; K1400-L1402 VanDerWaalsContact O-N 3.14Å; L1402-T1404 HydrophobicContact CB-CG2 4.18Å; L1402-T1404 WeakPolarHBondContact CB-OG1 3.17Å; L1402-T1404 PolarHBondContact O-N 3.04Å; L1402-T1404 PolarHBondContact O-OG1 3.33Å | ||
| 1403 | P | 49.3 | Very low | 62.4 | Low | 55 Ų | 55 | 80.5 Ų | 80.5 | 36% | 0.357 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 43.6 | -177.1 | 34 | -38.3 | 0 | 0 | 0 | 112.8 | ||
| 1404 | T | 46.9 | Very low | 63.5 | Low | 81 Ų | 81 | 81.5 Ų | 81.5 | 50% | 0.497 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -9.6 | -161.8 | 41.2 | 0 | 0 | 0 | 0 | 116.3 | L1402 | L1402-T1404 HydrophobicContact CB-CG2 4.18Å; L1402-T1404 WeakPolarHBondContact CB-OG1 3.17Å; L1402-T1404 PolarHBondContact O-N 3.04Å; L1402-T1404 PolarHBondContact O-OG1 3.33Å |
| 1405 | E | 55.5 | Low | 64.6 | Low | 183 Ų | 183 | 80.8 Ų | 80.8 | 86% | 0.855 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -126.4 | 118.6 | 176.9 | -64.6 | -163.9 | 160.7 | 0 | 0 | 111.8 | ||
| 1406 | D | 70.9 | Confident | 66.1 | Low | 81 Ų | 81 | 83.2 Ų | 83.2 | 43% | 0.433 | 44% | 0.435 | S | S | . | . | trans | -65.9 | 133.1 | 176.8 | -59.2 | -62.3 | 0 | 0 | 0 | 110.3 | T1378 Y1380 T1408 | T1378-D1406 HydrophobicContact CG2-CB 3.47Å; T1378-D1406 VanDerWaalsContact CG2-CB 3.47Å; Y1380-D1406 HydrophobicContact CD1-CB 4.27Å; Y1380-D1406 WeakPolarHBondContact CD1-OD1 3.13Å; Y1380-D1406 HydrophobicContact CE1-CB 3.91Å; Y1380-D1406 VanDerWaalsContact CE1-CG 3.42Å; D1406-T1408 PolarHBondContact O-N 3.16Å; D1406-T1408 PolarHBondContact O-OG1 3.01Å | ||
| 1407 | L | 80.9 | Confident | 67.9 | Low | 35 Ų | 35 | 79.5 Ų | 79.5 | 18% | 0.183 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 101.2 | -175.9 | -178.7 | 64.5 | 0 | 0 | 0 | 111.1 | T1378 I1379 I1389 L1409 L1419 | T1378-L1407 WeakPolarHBondContact CA-O 3.24Å; I1379-L1407 HydrophobicContact CD1-CD2 3.89Å; I1379-L1407 HydrophobicContact CD1-CG 4.18Å; I1379-L1407 PolarHBondContact N-O 3.41Å; I1389-L1407 HydrophobicContact CG2-CD2 3.74Å; L1407-L1409 HydrophobicContact CD1-CD2 4.26Å; L1407-L1409 HydrophobicContact CG-CG 4.41Å; L1407-L1419 HydrophobicContact CD2-CD2 4.44Å |
| 1408 | T | 84.7 | Confident | 69.7 | Low | 67 Ų | 67 | 78.9 Ų | 78.9 | 41% | 0.411 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 130.8 | 177.8 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | R1376 I1377 T1378 D1406 | R1376-T1408 HydrophobicContact CG-CG2 3.58Å; I1377-T1408 CarbonylContact O-C 3.49Å; I1377-T1408 VanDerWaalsContact O-CA 3.27Å; I1377-T1408 WeakPolarHBondContact O-CA 3.21Å; I1377-T1408 WeakPolarHBondContact O-CG2 3.18Å; T1378-T1408 WeakPolarHBondContact CG2-OG1 3.46Å; T1378-T1408 PolarHBondContact OG1-OG1 2.9Å; D1406-T1408 PolarHBondContact O-N 3.16Å; D1406-T1408 PolarHBondContact O-OG1 3.01Å |
| 1409 | L | 86 | Confident | 71.4 | Confident | 36 Ų | 36 | 77.7 Ų | 77.7 | 19% | 0.188 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 147.5 | -178.8 | -58.6 | 173.8 | 0 | 0 | 0 | 110.5 | I1377 I1379 T1391 L1407 V1411 L1419 | I1377-L1409 HydrophobicContact CD1-CB 4.37Å; I1377-L1409 HydrophobicContact CG1-CB 3.97Å; I1377-L1409 WeakPolarHBondContact CG1-O 3.39Å; I1377-L1409 PolarHBondContact N-O 2.89Å; I1377-L1409 PolarHBondContact O-N 3.46Å; I1379-L1409 HydrophobicContact CD1-CD1 3.82Å; I1379-L1409 HydrophobicContact CD1-CG 4.47Å; T1391-L1409 HydrophobicContact CG2-CD2 4.14Å; L1407-L1409 HydrophobicContact CD1-CD2 4.26Å; L1407-L1409 HydrophobicContact CG-CG 4.41Å; L1409-V1411 HydrophobicContact CB-CG1 4.32Å; L1409-L1419 HydrophobicContact CD1-CD2 3.81Å |
| 1410 | C | 86.5 | Confident | 73.5 | Confident | 91 Ų | 91 | 75.4 Ų | 75.4 | 62% | 0.615 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 115.1 | 165.3 | -72.6 | 0 | 0 | 0 | 0 | 108.7 | K1375 | K1375-C1410 WeakPolarHBondContact O-CA 3.09Å |
| 1411 | V | 86.2 | Confident | 75.7 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 141.6 | -176.1 | -65.1 | 0 | 0 | 0 | 0 | 112.1 | T1365 M1369 S1374 K1375 I1377 L1409 Y1417 | T1365-V1411 HydrophobicContact CG2-CB 3.94Å; T1365-V1411 HydrophobicContact CG2-CG2 4.12Å; M1369-V1411 HydrophobicContact SD-CG2 4.23Å; S1374-V1411 CarbonylContact C-O 3.55Å; S1374-V1411 WeakPolarHBondContact CA-O 3.39Å; K1375-V1411 HydrophobicContact CB-CG2 4.44Å; K1375-V1411 PolarHBondContact N-O 3.43Å; K1375-V1411 PolarHBondContact O-N 3.44Å; I1377-V1411 HydrophobicContact CD1-CB 4.43Å; I1377-V1411 HydrophobicContact CD1-CG1 3.5Å; I1377-V1411 HydrophobicContact CD1-CG2 4.03Å; I1377-V1411 HydrophobicContact CG1-CG1 3.95Å; I1377-V1411 HydrophobicContact CG1-CG2 4.14Å; I1377-V1411 HydrophobicContact CG2-CG2 3.85Å; L1409-V1411 HydrophobicContact CB-CG1 4.32Å; V1411-Y1417 WeakPolarHBondContact CA-OH 3.34Å; V1411-Y1417 HydrophobicContact CB-CD2 4.39Å; V1411-Y1417 HydrophobicContact CB-CE2 3.65Å; V1411-Y1417 HydrophobicContact CG1-CD2 3.84Å; V1411-Y1417 HydrophobicContact CG1-CE1 4.35Å; V1411-Y1417 HydrophobicContact CG1-CE2 3.52Å; V1411-Y1417 HydrophobicContact CG1-CG 4.4Å |
| 1412 | T | 84.7 | Confident | 78.1 | Confident | 65 Ų | 65 | 65.2 Ų | 65.2 | 40% | 0.399 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 145.8 | 177.9 | 39.9 | 0 | 0 | 0 | 0 | 111.5 | T1365 S1415 Y1417 | T1365-T1412 PolarHBondContact OG1-O 3.2Å; T1412-S1415 WeakPolarHBondContact O-CB 3.36Å; T1412-S1415 PolarHBondContact O-N 2.94Å; T1412-S1415 PolarHBondContact O-OG 3.12Å; T1412-S1415 VanDerWaalsContact O-OG 3.06Å; T1412-S1415 PolarHBondContact OG1-OG 3.38Å; T1412-Y1417 PolarHBondContact N-OH 3.34Å; T1412-Y1417 PolarHBondContact OG1-OH 3.15Å; T1412-Y1417 VanDerWaalsContact OG1-OH 3.1Å |
| 1413 | S | 79.9 | Confident | 80.3 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 145.3 | 176.5 | 61 | 0 | 0 | 0 | 0 | 112.8 | G1373 S1415 | G1373-S1413 PolarHBondContact O-N 2.93Å; S1413-S1415 PolarHBondContact O-N 3.02Å; S1413-S1415 PolarHBondContact O-OG 2.98Å |
| 1414 | R | 79.7 | Confident | 82.1 | Confident | 211 Ų | 211 | 58 Ų | 58 | 80% | 0.796 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 24.4 | 179.2 | -54.2 | -178.2 | -176.9 | 171.3 | 1.4 | 114.6 | T1365 D1366 | T1365-R1414 PolarHBondContact OG1-N 3.36Å; D1366-R1414 WeakPolarHBondContact OD1-CA 3.48Å |
| 1415 | S | 85.1 | Confident | 84.1 | Confident | 34 Ų | 34 | 54.1 Ų | 54.1 | 24% | 0.238 | 27% | 0.274 | C | S | . | . | trans | -108.9 | 149.2 | 175.8 | -50.5 | 0 | 0 | 0 | 0 | 110.5 | T1365 T1412 S1413 | T1365-S1415 PolarHBondContact N-O 3.23Å; T1365-S1415 VanDerWaalsContact N-O 3.1Å; T1365-S1415 PolarHBondContact OG1-N 3.3Å; T1365-S1415 PolarHBondContact OG1-O 2.71Å; T1412-S1415 WeakPolarHBondContact O-CB 3.36Å; T1412-S1415 PolarHBondContact O-N 2.94Å; T1412-S1415 PolarHBondContact O-OG 3.12Å; T1412-S1415 VanDerWaalsContact O-OG 3.06Å; T1412-S1415 PolarHBondContact OG1-OG 3.38Å; S1413-S1415 PolarHBondContact O-N 3.02Å; S1413-S1415 PolarHBondContact O-OG 2.98Å | ||
| 1416 | V | 86.3 | Confident | 85.4 | Confident | 78 Ų | 78 | 47 Ų | 47 | 47% | 0.473 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 133.6 | 177.7 | -172.9 | 0 | 0 | 0 | 0 | 109.2 | L1362 L1363 R1364 | L1362-V1416 HydrophobicContact CD2-CG1 4.05Å; L1363-V1416 WeakPolarHBondContact O-CA 3.24Å; R1364-V1416 HydrophobicContact CG-CG1 4.14Å; R1364-V1416 HydrophobicContact CG-CG2 4.03Å |
| 1417 | Y | 87.6 | Confident | 86 | Confident | 67 Ų | 67 | 48 Ų | 48 | 26% | 0.263 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 141.4 | 179 | -57.8 | -93.9 | 0 | 0 | 0 | 109.8 | L1363 T1365 V1411 T1412 | L1363-Y1417 PolarHBondContact N-O 2.92Å; L1363-Y1417 PolarHBondContact O-N 2.97Å; T1365-Y1417 HydrophobicContact CG2-CD2 4.32Å; T1365-Y1417 HydrophobicContact CG2-CE2 3.98Å; V1411-Y1417 WeakPolarHBondContact CA-OH 3.34Å; V1411-Y1417 HydrophobicContact CB-CD2 4.39Å; V1411-Y1417 HydrophobicContact CB-CE2 3.65Å; V1411-Y1417 HydrophobicContact CG1-CD2 3.84Å; V1411-Y1417 HydrophobicContact CG1-CE1 4.35Å; V1411-Y1417 HydrophobicContact CG1-CE2 3.52Å; V1411-Y1417 HydrophobicContact CG1-CG 4.4Å; T1412-Y1417 PolarHBondContact N-OH 3.34Å; T1412-Y1417 PolarHBondContact OG1-OH 3.15Å; T1412-Y1417 VanDerWaalsContact OG1-OH 3.1Å |
| 1418 | E | 88.7 | Confident | 86.2 | Confident | 65 Ų | 65 | 49.9 Ų | 49.9 | 30% | 0.304 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 120.6 | 171.1 | -155.9 | -164.3 | 160.5 | 0 | 0 | 110.6 | G1360 L1361 L1362 K1420 | G1360-E1418 WeakPolarHBondContact CA-OE1 3.42Å; L1361-E1418 WeakPolarHBondContact O-CA 3.46Å; L1362-E1418 HydrophobicContact CD2-CB 4.37Å; L1362-E1418 HydrophobicContact CD2-CG 4.18Å; E1418-K1420 WeakPolarHBondContact OE1-CE 3.46Å; E1418-K1420 IonicContact OE1-NZ 2.72Å; E1418-K1420 PolarHBondContact OE1-NZ 3.1Å; E1418-K1420 WeakPolarHBondContact OE2-CE 3.34Å; E1418-K1420 IonicContact OE2-NZ 2.68Å; E1418-K1420 PolarHBondContact OE2-NZ 2.87Å |
| 1419 | L | 89.4 | Confident | 86.2 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 135.1 | 172.9 | -52.1 | 173.6 | 0 | 0 | 0 | 108.6 | G1360 L1361 I1379 I1389 L1407 L1409 W1449 | G1360-L1419 WeakPolarHBondContact CA-O 3.33Å; L1361-L1419 HydrophobicContact CB-CB 4.27Å; L1361-L1419 PolarHBondContact N-O 3.48Å; L1361-L1419 PolarHBondContact O-N 3.23Å; I1379-L1419 HydrophobicContact CD1-CD1 3.63Å; I1379-L1419 HydrophobicContact CD1-CD2 3.56Å; I1379-L1419 HydrophobicContact CD1-CG 4.25Å; I1379-L1419 HydrophobicContact CG1-CD1 4.3Å; I1389-L1419 HydrophobicContact CG2-CB 4.38Å; L1407-L1419 HydrophobicContact CD2-CD2 4.44Å; L1409-L1419 HydrophobicContact CD1-CD2 3.81Å; L1419-W1449 HydrophobicContact CD1-CH2 3.95Å; L1419-W1449 HydrophobicContact CD1-CZ3 3.99Å |
| 1420 | K | 88.7 | Confident | 86.1 | Confident | 43 Ų | 43 | 55.8 Ų | 55.8 | 19% | 0.187 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 110.6 | 177.6 | -58.1 | -63.8 | -179.9 | 177.7 | 0 | 108.9 | P1358 I1359 G1390 E1418 | P1358-K1420 HydrophobicContact CB-CB 4.2Å; I1359-K1420 WeakPolarHBondContact O-CA 3.48Å; G1390-K1420 PolarHBondContact N-O 2.84Å; G1390-K1420 PolarHBondContact O-N 2.93Å; E1418-K1420 WeakPolarHBondContact OE1-CE 3.46Å; E1418-K1420 IonicContact OE1-NZ 2.72Å; E1418-K1420 PolarHBondContact OE1-NZ 3.1Å; E1418-K1420 WeakPolarHBondContact OE2-CE 3.34Å; E1418-K1420 IonicContact OE2-NZ 2.68Å; E1418-K1420 PolarHBondContact OE2-NZ 2.87Å |
| 1421 | V | 89.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 133.7 | 179.5 | -177 | 0 | 0 | 0 | 0 | 110.2 | P1358 I1359 L1361 V1387 F1388 I1389 L1423 L1451 | P1358-V1421 CarbonylContact C-O 3.6Å; P1358-V1421 WeakPolarHBondContact CA-O 3.47Å; I1359-V1421 PolarHBondContact N-O 2.88Å; I1359-V1421 PolarHBondContact O-N 2.86Å; L1361-V1421 HydrophobicContact CD1-CG2 3.53Å; L1361-V1421 HydrophobicContact CG-CG2 3.83Å; V1387-V1421 HydrophobicContact CG1-CG1 3.64Å; F1388-V1421 CarbonylContact O-C 3.57Å; F1388-V1421 WeakPolarHBondContact O-CA 3.36Å; I1389-V1421 HydrophobicContact CD1-CG2 4.1Å; I1389-V1421 HydrophobicContact CG1-CG1 4.3Å; I1389-V1421 HydrophobicContact CG1-CG2 3.98Å; I1389-V1421 HydrophobicContact CG2-CG2 4.29Å; V1421-L1423 HydrophobicContact CG1-CD2 4.48Å; V1421-L1451 HydrophobicContact CG1-CD1 4.01Å |
| 1422 | R | 89.2 | Confident | 85.8 | Confident | 44 Ų | 44 | 55.7 Ų | 55.7 | 17% | 0.166 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 142 | 169.4 | -66.1 | -174.1 | -174.5 | 160.9 | 9.9 | 110.3 | L1355 P1358 F1388 S1395 F1398 | L1355-R1422 HydrophobicContact CD1-CB 3.72Å; L1355-R1422 HydrophobicContact CG-CB 4.16Å; P1358-R1422 HydrophobicContact CB-CG 4.14Å; F1388-R1422 PolarHBondContact N-O 3.44Å; F1388-R1422 PolarHBondContact O-N 2.67Å; S1395-R1422 PolarHBondContact O-NH1 2.78Å; S1395-R1422 PolarHBondContact O-NH2 2.89Å; F1398-R1422 HydrophobicContact CE2-CG 4.48Å |
| 1423 | L | 89.7 | Confident | 86 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 141.2 | -177.3 | -59.4 | 170.1 | 0 | 0 | 0 | 109.8 | A1348 A1350 S1356 I1359 E1386 V1387 V1421 Y1433 L1451 V1453 | A1348-L1423 HydrophobicContact CB-CD1 3.71Å; A1350-L1423 HydrophobicContact CB-CB 4.31Å; S1356-L1423 WeakPolarHBondContact CB-O 3.18Å; S1356-L1423 PolarHBondContact N-O 2.96Å; S1356-L1423 PolarHBondContact OG-N 2.83Å; I1359-L1423 HydrophobicContact CD1-CD1 3.69Å; I1359-L1423 HydrophobicContact CD1-CG 4.2Å; E1386-L1423 CarbonylContact O-C 3.53Å; E1386-L1423 WeakPolarHBondContact O-CA 3.45Å; V1387-L1423 HydrophobicContact CB-CD2 4.42Å; V1387-L1423 HydrophobicContact CG1-CD2 4.13Å; V1387-L1423 HydrophobicContact CG2-CD2 3.88Å; V1421-L1423 HydrophobicContact CG1-CD2 4.48Å; L1423-Y1433 HydrophobicContact CD2-CD2 4.45Å; L1423-L1451 HydrophobicContact CD2-CD1 4.03Å; L1423-V1453 HydrophobicContact CD1-CG1 4.05Å; L1423-V1453 HydrophobicContact CD1-CG2 3.64Å; L1423-V1453 HydrophobicContact CD2-CG2 4.39Å |
| 1424 | C | 88.8 | Confident | 86.5 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 7% | 0.068 | 25% | 0.253 | C | S | . | . | trans | -140.5 | 74.5 | 169.8 | -161.2 | 0 | 0 | 0 | 0 | 109.3 | G1353 Q1354 L1355 E1386 F1388 | G1353-C1424 PolarHBondContact O-SG 3.48Å; Q1354-C1424 VanDerWaalsContact C-SG 3.56Å; Q1354-C1424 PolarHBondContact O-SG 2.89Å; Q1354-C1424 VanDerWaalsContact O-SG 3.38Å; L1355-C1424 HydrophobicContact CD1-CB 4.18Å; E1386-C1424 PolarHBondContact O-N 3.44Å; F1388-C1424 HydrophobicContact CE2-CB 3.87Å | ||
| 1425 | P | 88.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -66.7 | 140.3 | -175.1 | 27.5 | -33.8 | 0 | 0 | 0 | 111.3 | A1350 V1352 G1353 E1386 A1455 | A1350-P1425 HydrophobicContact CB-CG 3.81Å; V1352-P1425 WeakPolarHBondContact CA-O 3.31Å; V1352-P1425 HydrophobicContact CG2-CG 4.32Å; G1353-P1425 PolarHBondContact N-O 2.94Å; E1386-P1425 WeakPolarHBondContact OE2-CA 3.26Å; P1425-A1455 HydrophobicContact CB-CB 3.75Å; P1425-A1455 HydrophobicContact CG-CB 3.76Å | ||
| 1426 | K | 82.4 | Confident | 87.4 | Confident | 33 Ų | 33 | 41.1 Ų | 41.1 | 14% | 0.143 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -87.5 | -21.6 | 179.3 | -70.9 | -179.4 | 179.6 | -172.8 | 0 | 114.3 | S718 V1352 E1386 N1498 | S718-K1426 PolarHBondContact OG-NZ 2.98Å; V1352-K1426 WeakPolarHBondContact CG1-O 3.38Å; E1386-K1426 HydrophobicContact CG-CD 4.27Å; E1386-K1426 HydrophobicContact CG-CG 4Å; E1386-K1426 PolarHBondContact OE2-N 2.89Å; K1426-N1498 WeakPolarHBondContact O-CB 3.4Å |
| 1427 | Y | 83.4 | Confident | 87.7 | Confident | 103 Ų | 103 | 37.4 Ų | 37.4 | 40% | 0.404 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -126.5 | 147.6 | -172.8 | -61.7 | -76.7 | 0 | 0 | 0 | 111.9 | V1352 A1455 R1499 | V1352-Y1427 VanDerWaalsContact CG2-C 3.43Å; V1352-Y1427 WeakPolarHBondContact CG2-O 3.49Å; Y1427-A1455 VanDerWaalsContact O-CB 3.26Å; Y1427-A1455 WeakPolarHBondContact O-CB 3.24Å; Y1427-R1499 WeakPolarHBondContact OH-CD 3.37Å |
| 1428 | V | 84.8 | Confident | 87.9 | Confident | 75 Ų | 75 | 34.3 Ų | 34.3 | 46% | 0.455 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -82.5 | 135.7 | -179.9 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | V1352 A1455 Q1457 | V1352-V1428 HydrophobicContact CB-CG2 4.29Å; V1352-V1428 HydrophobicContact CG2-CB 4.46Å; V1352-V1428 HydrophobicContact CG2-CG2 3.84Å; V1428-A1455 WeakPolarHBondContact CA-O 3.46Å; V1428-Q1457 HydrophobicContact CG1-CB 4.17Å; V1428-Q1457 HydrophobicContact CG2-CB 4.16Å; V1428-Q1457 HydrophobicContact CG2-CG 4.35Å |
| 1429 | G | 84.6 | Confident | 87.9 | Confident | 33 Ų | 33 | 31.3 Ų | 31.3 | 34% | 0.34 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.7 | -168.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1455 | G1429-A1455 PolarHBondContact N-O 2.69Å; G1429-A1455 WeakPolarHBondContact O-CA 3.22Å; G1429-A1455 VanDerWaalsContact O-CB 3.31Å; G1429-A1455 WeakPolarHBondContact O-CB 3.47Å; G1429-A1455 PolarHBondContact O-N 2.77Å |
| 1430 | K | 83.7 | Confident | 87.7 | Confident | 193 Ų | 193 | 33 Ų | 33 | 84% | 0.839 | 17% | 0.166 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 134.7 | 169.4 | -62.8 | 172.4 | -171.7 | 163.4 | 0 | 108.6 | V1453 | K1430-V1453 WeakPolarHBondContact CA-O 3.39Å |
| 1431 | K | 82 | Confident | 87.5 | Confident | 48 Ų | 48 | 35.3 Ų | 35.3 | 21% | 0.209 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 137.2 | 174.7 | -172.4 | 162.9 | 169.2 | -173.5 | 0 | 111.1 | H1383 E1386 Y1433 V1453 | H1383-K1431 VanDerWaalsContact NE2-CE 3.32Å; H1383-K1431 WeakPolarHBondContact NE2-CE 3.42Å; H1383-K1431 PolarHBondContact NE2-NZ 2.94Å; E1386-K1431 IonicContact OE1-NZ 3.28Å; E1386-K1431 PolarHBondContact OE1-NZ 3.47Å; E1386-K1431 IonicContact OE2-NZ 3.75Å; E1386-K1431 PolarHBondContact OE2-NZ 2.8Å; K1431-Y1433 HydrophobicContact CB-CE2 4.31Å; K1431-Y1433 HydrophobicContact CD-CE1 4.08Å; K1431-Y1433 HydrophobicContact CD-CE2 4.46Å; K1431-Y1433 WeakPolarHBondContact CD-OH 3.48Å; K1431-Y1433 VanDerWaalsContact CE-CE1 3.5Å; K1431-Y1433 HydrophobicContact CG-CE1 4.23Å; K1431-Y1433 HydrophobicContact CG-CE2 4.08Å; K1431-V1453 PolarHBondContact N-O 3.21Å; K1431-V1453 WeakPolarHBondContact O-CB 3.41Å; K1431-V1453 PolarHBondContact O-N 2.84Å |
| 1432 | S | 86.1 | Confident | 87 | Confident | 42 Ų | 42 | 39.8 Ų | 39.8 | 29% | 0.294 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 142.4 | 175 | 51.4 | 0 | 0 | 0 | 0 | 110.8 | L1451 | S1432-L1451 CarbonylContact C-O 3.56Å; S1432-L1451 WeakPolarHBondContact CA-O 3.4Å |
| 1433 | Y | 88.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 125 | 171.4 | -54.5 | -88 | 0 | 0 | 0 | 110.6 | H1383 E1386 V1387 L1423 K1431 L1451 V1453 | H1383-Y1433 HydrophobicContact CB-CD1 3.73Å; H1383-Y1433 HydrophobicContact CB-CE1 3.81Å; H1383-Y1433 AromaticContact CG-CD1 3.67Å; H1383-Y1433 AromaticContact CG-CE1 3.74Å; H1383-Y1433 AromaticContact ND1-CD1 3.5Å; H1383-Y1433 AromaticContact ND1-CE1 3.94Å; E1386-Y1433 HydrophobicContact CB-CE1 3.92Å; E1386-Y1433 PolarHBondContact OE2-OH 2.69Å; V1387-Y1433 HydrophobicContact CG2-CD1 3.39Å; V1387-Y1433 HydrophobicContact CG2-CD2 4.08Å; V1387-Y1433 HydrophobicContact CG2-CE1 3.86Å; V1387-Y1433 HydrophobicContact CG2-CE2 4.5Å; V1387-Y1433 HydrophobicContact CG2-CG 3.49Å; V1387-Y1433 VanDerWaalsContact CG2-CG 3.49Å; L1423-Y1433 HydrophobicContact CD2-CD2 4.45Å; K1431-Y1433 HydrophobicContact CB-CE2 4.31Å; K1431-Y1433 HydrophobicContact CD-CE1 4.08Å; K1431-Y1433 HydrophobicContact CD-CE2 4.46Å; K1431-Y1433 WeakPolarHBondContact CD-OH 3.48Å; K1431-Y1433 VanDerWaalsContact CE-CE1 3.5Å; K1431-Y1433 HydrophobicContact CG-CE1 4.23Å; K1431-Y1433 HydrophobicContact CG-CE2 4.08Å; Y1433-L1451 PolarHBondContact N-O 2.9Å; Y1433-L1451 PolarHBondContact O-N 2.69Å; Y1433-V1453 HydrophobicContact CD2-CB 4.39Å; Y1433-V1453 HydrophobicContact CD2-CG2 3.6Å; Y1433-V1453 HydrophobicContact CE2-CB 3.99Å; Y1433-V1453 HydrophobicContact CE2-CG2 3.62Å |
| 1434 | Q | 90 | Very high | 86.4 | Confident | 27 Ų | 27 | 49.7 Ų | 49.7 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 139.7 | 169.2 | -174.6 | 170.9 | 7.8 | 0 | 0 | 111 | I836 L1343 T1381 S1382 N1436 W1449 | I836-Q1434 HydrophobicContact CD1-CG 4.43Å; I836-Q1434 HydrophobicContact CG1-CG 4.26Å; L1343-Q1434 HydrophobicContact CD2-CG 3.88Å; T1381-Q1434 WeakPolarHBondContact CA-O 3.35Å; S1382-Q1434 PolarHBondContact N-O 2.68Å; S1382-Q1434 PolarHBondContact OG-N 3.35Å; S1382-Q1434 PolarHBondContact OG-O 3.39Å; Q1434-N1436 WeakPolarHBondContact CG-OD1 3.34Å; Q1434-N1436 PolarHBondContact NE2-ND2 3.04Å; Q1434-N1436 VanDerWaalsContact NE2-ND2 3.18Å; Q1434-N1436 PolarHBondContact NE2-OD1 2.71Å; Q1434-W1449 WeakPolarHBondContact CA-O 3.47Å |
| 1435 | V | 91.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 121.9 | 168.1 | -180 | 0 | 0 | 0 | 0 | 108.8 | I1379 Y1380 T1381 V1387 I1389 A1448 W1449 L1451 | I1379-V1435 HydrophobicContact CG2-CG1 3.82Å; Y1380-V1435 CarbonylContact O-C 3.55Å; Y1380-V1435 WeakPolarHBondContact O-CA 3.44Å; T1381-V1435 HydrophobicContact CG2-CG1 4.49Å; T1381-V1435 HydrophobicContact CG2-CG2 4.08Å; V1387-V1435 HydrophobicContact CG1-CG2 4.37Å; I1389-V1435 HydrophobicContact CD1-CB 4.44Å; I1389-V1435 HydrophobicContact CD1-CG1 3.45Å; I1389-V1435 VanDerWaalsContact CD1-CG1 3.45Å; I1389-V1435 HydrophobicContact CD1-CG2 4.08Å; V1435-A1448 CarbonylContact O-C 3.52Å; V1435-A1448 WeakPolarHBondContact O-CA 3.46Å; V1435-W1449 HydrophobicContact CB-CB 4.37Å; V1435-W1449 HydrophobicContact CB-CE3 4.29Å; V1435-W1449 HydrophobicContact CG1-CE3 3.96Å; V1435-W1449 HydrophobicContact CG1-CZ3 4.45Å; V1435-W1449 PolarHBondContact N-O 2.99Å; V1435-W1449 PolarHBondContact O-N 2.79Å; V1435-L1451 HydrophobicContact CG2-CD1 3.89Å; V1435-L1451 HydrophobicContact CG2-CG 4.2Å |
| 1436 | N | 92.8 | Very high | 86.5 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.011 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 136.8 | 179.2 | -73.2 | -7.2 | 0 | 0 | 0 | 110.2 | S834 H835 I836 I1379 Y1380 Q1434 V1438 V1445 A1448 | S834-N1436 WeakPolarHBondContact O-CB 3.44Å; S834-N1436 PolarHBondContact O-ND2 2.69Å; H835-N1436 PolarHBondContact O-ND2 3.27Å; I836-N1436 WeakPolarHBondContact CG1-ND2 3.44Å; I1379-N1436 WeakPolarHBondContact CA-O 3.39Å; Y1380-N1436 PolarHBondContact N-O 2.89Å; Y1380-N1436 PolarHBondContact O-N 2.83Å; Q1434-N1436 WeakPolarHBondContact CG-OD1 3.34Å; Q1434-N1436 PolarHBondContact NE2-ND2 3.04Å; Q1434-N1436 VanDerWaalsContact NE2-ND2 3.18Å; Q1434-N1436 PolarHBondContact NE2-OD1 2.71Å; N1436-V1438 HydrophobicContact CB-CG2 4.33Å; N1436-V1445 HydrophobicContact CB-CG1 4.44Å; N1436-A1448 WeakPolarHBondContact OD1-CB 3.42Å |
| 1437 | V | 92.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124.1 | 162.6 | 121.9 | 0 | 0 | 0 | 0 | 109 | L1363 I1377 I1379 L1446 R1447 W1449 | L1363-V1437 HydrophobicContact CD1-CG1 4.35Å; L1363-V1437 HydrophobicContact CD1-CG2 4.37Å; L1363-V1437 HydrophobicContact CD2-CG1 4.41Å; I1377-V1437 HydrophobicContact CB-CG1 4.34Å; I1377-V1437 HydrophobicContact CD1-CG1 4.06Å; I1377-V1437 HydrophobicContact CG2-CG1 4.48Å; I1379-V1437 HydrophobicContact CG1-CB 3.94Å; I1379-V1437 HydrophobicContact CG1-CG2 4.17Å; V1437-L1446 HydrophobicContact CG1-CB 4.04Å; V1437-L1446 HydrophobicContact CG1-CD1 4.4Å; V1437-L1446 PolarHBondContact O-N 2.75Å; V1437-R1447 HydrophobicContact CG2-CB 4.15Å; V1437-R1447 PolarHBondContact N-O 3.43Å; V1437-W1449 HydrophobicContact CG2-CE3 4.3Å; V1437-W1449 HydrophobicContact CG2-CH2 3.78Å; V1437-W1449 HydrophobicContact CG2-CZ3 3.34Å |
| 1438 | V | 91.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 133.4 | -172.5 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | I1377 T1378 Y1380 N1436 T1440 R1444 V1445 | I1377-V1438 CarbonylContact C-O 3.57Å; I1377-V1438 VanDerWaalsContact CA-O 3.27Å; I1377-V1438 WeakPolarHBondContact CA-O 3.38Å; T1378-V1438 PolarHBondContact N-O 3.46Å; T1378-V1438 PolarHBondContact O-N 2.8Å; Y1380-V1438 HydrophobicContact CD2-CB 4.31Å; Y1380-V1438 HydrophobicContact CD2-CG2 3.92Å; Y1380-V1438 HydrophobicContact CE2-CB 4.06Å; Y1380-V1438 HydrophobicContact CE2-CG2 4.11Å; N1436-V1438 HydrophobicContact CB-CG2 4.33Å; V1438-T1440 PolarHBondContact O-N 2.74Å; V1438-R1444 CarbonylContact C-O 3.6Å; V1438-R1444 WeakPolarHBondContact CA-O 3.49Å; V1438-V1445 HydrophobicContact CG2-CG2 4.39Å |
| 1439 | D | 89.3 | Confident | 87.8 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.011 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 111 | 167.3 | -169.4 | -48.6 | 0 | 0 | 0 | 109.2 | K1375 D1441 N1442 Q1443 R1444 L1446 | K1375-D1439 WeakPolarHBondContact CD-OD2 3.33Å; K1375-D1439 VanDerWaalsContact CE-OD2 3.29Å; K1375-D1439 WeakPolarHBondContact CE-OD2 3.44Å; K1375-D1439 IonicContact NZ-OD2 2.69Å; K1375-D1439 PolarHBondContact NZ-OD2 2.9Å; D1439-D1441 PolarHBondContact O-N 3.38Å; D1439-D1441 PolarHBondContact OD1-N 2.83Å; D1439-D1441 VanDerWaalsContact OD1-N 3.15Å; D1439-N1442 HydrophobicContact CB-CB 4.19Å; D1439-N1442 VanDerWaalsContact CG-ND2 3.25Å; D1439-N1442 PolarHBondContact O-N 2.82Å; D1439-N1442 WeakPolarHBondContact OD1-CB 3.47Å; D1439-N1442 PolarHBondContact OD1-N 3.2Å; D1439-N1442 PolarHBondContact OD1-ND2 2.79Å; D1439-N1442 PolarHBondContact OD2-ND2 2.84Å; D1439-N1442 VanDerWaalsContact OD2-ND2 3.1Å; D1439-Q1443 WeakPolarHBondContact O-CA 3.36Å; D1439-Q1443 PolarHBondContact O-N 2.91Å; D1439-R1444 WeakPolarHBondContact CB-O 3.48Å; D1439-R1444 PolarHBondContact N-O 2.87Å; D1439-L1446 HydrophobicContact CB-CD1 3.89Å; D1439-L1446 HydrophobicContact CB-CD2 4.13Å; D1439-L1446 HydrophobicContact CB-CG 3.98Å |
| 1440 | T | 85.2 | Confident | 88.1 | Confident | 37 Ų | 37 | 43.1 Ų | 43.1 | 23% | 0.227 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -30.3 | -172.7 | -37.4 | 0 | 0 | 0 | 0 | 111.3 | R1376 I1377 T1378 V1438 Q1443 | R1376-T1440 WeakPolarHBondContact O-CB 3.35Å; R1376-T1440 PolarHBondContact O-N 3.08Å; R1376-T1440 PolarHBondContact O-OG1 3.26Å; I1377-T1440 WeakPolarHBondContact CA-OG1 3.41Å; I1377-T1440 PolarHBondContact N-OG1 3.23Å; T1378-T1440 PolarHBondContact OG1-OG1 2.83Å; V1438-T1440 PolarHBondContact O-N 2.74Å; T1440-Q1443 PolarHBondContact O-NE2 3.15Å |
| 1441 | D | 83.1 | Confident | 88.5 | Confident | 91 Ų | 91 | 34 Ų | 34 | 49% | 0.487 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -29.4 | -175.4 | -55.4 | -58.2 | 0 | 0 | 0 | 111.6 | R1376 D1439 | R1376-D1441 IonicContact CZ-OD1 2.7Å; R1376-D1441 PolarHBondContact N-OD2 2.97Å; R1376-D1441 IonicContact NH1-OD1 3.97Å; R1376-D1441 PolarHBondContact NH1-OD1 2.94Å; R1376-D1441 IonicContact NH1-OD2 3.04Å; R1376-D1441 IonicContact NH2-OD1 2.64Å; D1439-D1441 PolarHBondContact O-N 3.38Å; D1439-D1441 PolarHBondContact OD1-N 2.83Å; D1439-D1441 VanDerWaalsContact OD1-N 3.15Å |
| 1442 | N | 80 | Confident | 89 | Confident | 95 Ų | 95 | 33.3 Ų | 33.3 | 51% | 0.508 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -7.7 | -177.5 | -61.4 | -92 | 0 | 0 | 0 | 115.1 | D1439 | D1439-N1442 HydrophobicContact CB-CB 4.19Å; D1439-N1442 VanDerWaalsContact CG-ND2 3.25Å; D1439-N1442 PolarHBondContact O-N 2.82Å; D1439-N1442 WeakPolarHBondContact OD1-CB 3.47Å; D1439-N1442 PolarHBondContact OD1-N 3.2Å; D1439-N1442 PolarHBondContact OD1-ND2 2.79Å; D1439-N1442 PolarHBondContact OD2-ND2 2.84Å; D1439-N1442 VanDerWaalsContact OD2-ND2 3.1Å |
| 1443 | Q | 81.9 | Confident | 89.1 | Confident | 78 Ų | 78 | 31.5 Ų | 31.5 | 36% | 0.364 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 60.5 | -174.5 | -57.8 | -64.6 | -69 | 0 | 0 | 112.3 | H835 D1439 T1440 | H835-Q1443 PolarHBondContact CE1-O 3.36Å; H835-Q1443 VanDerWaalsContact NE2-C 3.33Å; H835-Q1443 PolarHBondContact NE2-O 3.21Å; H835-Q1443 VanDerWaalsContact NE2-O 3.13Å; D1439-Q1443 WeakPolarHBondContact O-CA 3.36Å; D1439-Q1443 PolarHBondContact O-N 2.91Å; T1440-Q1443 PolarHBondContact O-NE2 3.15Å |
| 1444 | R | 84.8 | Confident | 89.3 | Confident | 173 Ų | 173 | 34.3 Ų | 34.3 | 65% | 0.653 | 17% | 0.17 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 141.2 | 177.4 | -70.4 | -175.1 | 178.1 | -164.4 | -4.2 | 111.5 | V1438 D1439 L1446 | V1438-R1444 CarbonylContact C-O 3.6Å; V1438-R1444 WeakPolarHBondContact CA-O 3.49Å; D1439-R1444 WeakPolarHBondContact CB-O 3.48Å; D1439-R1444 PolarHBondContact N-O 2.87Å; R1444-L1446 PolarHBondContact O-N 3.05Å |
| 1445 | V | 89.6 | Confident | 89.2 | Confident | 40 Ų | 40 | 33 Ų | 33 | 24% | 0.242 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 125.1 | 173.9 | -176 | 0 | 0 | 0 | 0 | 109.9 | H835 P1314 N1436 V1438 R1447 A1448 | H835-V1445 HydrophobicContact CB-CG2 3.6Å; P1314-V1445 HydrophobicContact CB-CG1 3.89Å; P1314-V1445 HydrophobicContact CG-CG1 4.3Å; N1436-V1445 HydrophobicContact CB-CG1 4.44Å; V1438-V1445 HydrophobicContact CG2-CG2 4.39Å; V1445-R1447 WeakPolarHBondContact CG1-O 3.29Å; V1445-A1448 HydrophobicContact CG1-CB 4.16Å |
| 1446 | L | 89 | Confident | 89.2 | Confident | 18 Ų | 18 | 39 Ų | 39 | 9% | 0.094 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -34.5 | 177.2 | -60.3 | 171.5 | 0 | 0 | 0 | 111.8 | F1368 I1377 V1437 D1439 R1444 | F1368-L1446 HydrophobicContact CB-CD2 4.26Å; F1368-L1446 HydrophobicContact CD1-CB 4.17Å; F1368-L1446 HydrophobicContact CD2-CB 4.07Å; F1368-L1446 HydrophobicContact CD2-CD1 3.93Å; F1368-L1446 HydrophobicContact CD2-CD2 3.95Å; F1368-L1446 HydrophobicContact CD2-CG 4.21Å; F1368-L1446 HydrophobicContact CE1-CB 4.29Å; F1368-L1446 HydrophobicContact CE2-CB 4.22Å; F1368-L1446 HydrophobicContact CE2-CD1 3.79Å; F1368-L1446 HydrophobicContact CE2-CG 4.45Å; F1368-L1446 HydrophobicContact CG-CB 4.06Å; F1368-L1446 HydrophobicContact CG-CD2 4.23Å; F1368-L1446 HydrophobicContact CZ-CB 4.31Å; F1368-L1446 HydrophobicContact CZ-CD1 4.44Å; I1377-L1446 HydrophobicContact CG2-CD1 3.53Å; V1437-L1446 HydrophobicContact CG1-CB 4.04Å; V1437-L1446 HydrophobicContact CG1-CD1 4.4Å; V1437-L1446 PolarHBondContact O-N 2.75Å; D1439-L1446 HydrophobicContact CB-CD1 3.89Å; D1439-L1446 HydrophobicContact CB-CD2 4.13Å; D1439-L1446 HydrophobicContact CB-CG 3.98Å; R1444-L1446 PolarHBondContact O-N 3.05Å |
| 1447 | R | 90.7 | Very high | 89 | Confident | 36 Ų | 36 | 44.2 Ų | 44.2 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 147.5 | 172.2 | -75.6 | -59.8 | -165.3 | -164.9 | 5.5 | 109.9 | S1313 L1363 D1367 F1368 V1437 V1445 W1449 | S1313-R1447 PolarHBondContact O-NH1 2.96Å; L1363-R1447 HydrophobicContact CD1-CB 4.24Å; L1363-R1447 HydrophobicContact CD1-CG 3.8Å; D1367-R1447 VanDerWaalsContact CB-NH2 3.33Å; D1367-R1447 IonicContact OD1-NH2 3.21Å; D1367-R1447 PolarHBondContact OD1-NH2 2.93Å; D1367-R1447 IonicContact OD2-CZ 3.97Å; D1367-R1447 IonicContact OD2-NH2 2.71Å; D1367-R1447 PolarHBondContact OD2-NH2 2.99Å; F1368-R1447 HydrophobicContact CD1-CG 4.3Å; F1368-R1447 HydrophobicContact CE1-CG 3.96Å; V1437-R1447 HydrophobicContact CG2-CB 4.15Å; V1437-R1447 PolarHBondContact N-O 3.43Å; V1445-R1447 WeakPolarHBondContact CG1-O 3.29Å; R1447-W1449 HydrophobicContact CB-CH2 4.44Å |
| 1448 | A | 92.8 | Very high | 88.9 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 135.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | S1313 P1314 L1343 Q1344 V1435 N1436 V1445 | S1313-A1448 PolarHBondContact OG-N 2.94Å; S1313-A1448 PolarHBondContact OG-O 2.89Å; P1314-A1448 HydrophobicContact CB-CB 4.3Å; L1343-A1448 WeakPolarHBondContact CA-O 3.43Å; L1343-A1448 HydrophobicContact CD2-CB 3.87Å; L1343-A1448 HydrophobicContact CG-CB 3.96Å; Q1344-A1448 PolarHBondContact N-O 2.86Å; V1435-A1448 CarbonylContact O-C 3.52Å; V1435-A1448 WeakPolarHBondContact O-CA 3.46Å; N1436-A1448 WeakPolarHBondContact OD1-CB 3.42Å; V1445-A1448 HydrophobicContact CG1-CB 4.16Å |
| 1449 | W | 93.6 | Very high | 88.9 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 1% | 0.011 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 150 | 173.6 | -65.5 | -81.9 | 0 | 0 | 0 | 111.2 | Q1344 L1361 L1363 L1419 Q1434 V1435 V1437 R1447 L1451 | Q1344-W1449 VanDerWaalsContact CB-CD1 3.49Å; Q1344-W1449 HydrophobicContact CB-CG 4.39Å; Q1344-W1449 VanDerWaalsContact O-CA 3.24Å; Q1344-W1449 WeakPolarHBondContact O-CA 3.42Å; L1361-W1449 HydrophobicContact CB-CH2 4.41Å; L1361-W1449 HydrophobicContact CB-CZ2 4.15Å; L1361-W1449 HydrophobicContact CD1-CD2 3.85Å; L1361-W1449 HydrophobicContact CD1-CE3 3.85Å; L1361-W1449 HydrophobicContact CD1-CG 4.17Å; L1361-W1449 HydrophobicContact CD1-CZ3 4.26Å; L1363-W1449 HydrophobicContact CB-CH2 4.33Å; L1363-W1449 HydrophobicContact CD1-CH2 4.2Å; L1419-W1449 HydrophobicContact CD1-CH2 3.95Å; L1419-W1449 HydrophobicContact CD1-CZ3 3.99Å; Q1434-W1449 WeakPolarHBondContact CA-O 3.47Å; V1435-W1449 HydrophobicContact CB-CB 4.37Å; V1435-W1449 HydrophobicContact CB-CE3 4.29Å; V1435-W1449 HydrophobicContact CG1-CE3 3.96Å; V1435-W1449 HydrophobicContact CG1-CZ3 4.45Å; V1435-W1449 PolarHBondContact N-O 2.99Å; V1435-W1449 PolarHBondContact O-N 2.79Å; V1437-W1449 HydrophobicContact CG2-CE3 4.3Å; V1437-W1449 HydrophobicContact CG2-CH2 3.78Å; V1437-W1449 HydrophobicContact CG2-CZ3 3.34Å; R1447-W1449 HydrophobicContact CB-CH2 4.44Å; W1449-L1451 HydrophobicContact CB-CD2 4.43Å |
| 1450 | I | 91.9 | Very high | 89 | Confident | 15 Ų | 15 | 55.3 Ų | 55.3 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 114.6 | 166.7 | -171.7 | 168 | 0 | 0 | 0 | 108.9 | P1246 L1343 Q1344 R1345 V1346 | P1246-I1450 HydrophobicContact CG-CG2 4.5Å; L1343-I1450 HydrophobicContact CB-CB 3.98Å; L1343-I1450 HydrophobicContact CB-CG2 3.87Å; L1343-I1450 HydrophobicContact CD2-CB 4.26Å; Q1344-I1450 PolarHBondContact O-N 3.03Å; R1345-I1450 WeakPolarHBondContact CA-O 3.27Å; R1345-I1450 HydrophobicContact CB-CG2 4.18Å; V1346-I1450 PolarHBondContact N-O 2.6Å |
| 1451 | L | 91.8 | Very high | 89.2 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 111.6 | 177.3 | -46.2 | -178.3 | 0 | 0 | 0 | 108.1 | V1346 L1361 V1387 V1421 L1423 S1432 Y1433 V1435 W1449 V1453 | V1346-L1451 HydrophobicContact CB-CD2 3.86Å; V1346-L1451 HydrophobicContact CG1-CD2 4.39Å; V1346-L1451 HydrophobicContact CG2-CD2 4.32Å; V1346-L1451 CarbonylContact O-C 3.58Å; V1346-L1451 WeakPolarHBondContact O-CA 3.39Å; L1361-L1451 HydrophobicContact CD2-CD2 4.38Å; V1387-L1451 HydrophobicContact CG1-CD1 3.93Å; V1421-L1451 HydrophobicContact CG1-CD1 4.01Å; L1423-L1451 HydrophobicContact CD2-CD1 4.03Å; S1432-L1451 CarbonylContact C-O 3.56Å; S1432-L1451 WeakPolarHBondContact CA-O 3.4Å; Y1433-L1451 PolarHBondContact N-O 2.9Å; Y1433-L1451 PolarHBondContact O-N 2.69Å; V1435-L1451 HydrophobicContact CG2-CD1 3.89Å; V1435-L1451 HydrophobicContact CG2-CG 4.2Å; W1449-L1451 HydrophobicContact CB-CD2 4.43Å; L1451-V1453 HydrophobicContact CB-CG2 4.3Å |
| 1452 | C | 91.3 | Very high | 89.6 | Confident | 32 Ų | 32 | 56.1 Ų | 56.1 | 22% | 0.216 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 108.1 | 178.2 | -65.4 | 0 | 0 | 0 | 0 | 108.8 | V1346 D1347 A1348 | V1346-C1452 PolarHBondContact O-N 2.94Å; D1347-C1452 WeakPolarHBondContact CA-O 3.47Å; D1347-C1452 WeakPolarHBondContact OD1-CB 3.48Å; A1348-C1452 PolarHBondContact N-O 2.84Å |
| 1453 | V | 89.6 | Confident | 90.2 | Very high | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 121.4 | -168 | -172.4 | 0 | 0 | 0 | 0 | 111.7 | A1348 A1350 L1423 K1430 K1431 Y1433 L1451 A1455 | A1348-V1453 HydrophobicContact CB-CG2 4.38Å; A1348-V1453 WeakPolarHBondContact O-CA 3.35Å; A1350-V1453 HydrophobicContact CB-CG1 4.01Å; L1423-V1453 HydrophobicContact CD1-CG1 4.05Å; L1423-V1453 HydrophobicContact CD1-CG2 3.64Å; L1423-V1453 HydrophobicContact CD2-CG2 4.39Å; K1430-V1453 WeakPolarHBondContact CA-O 3.39Å; K1431-V1453 PolarHBondContact N-O 3.21Å; K1431-V1453 WeakPolarHBondContact O-CB 3.41Å; K1431-V1453 PolarHBondContact O-N 2.84Å; Y1433-V1453 HydrophobicContact CD2-CB 4.39Å; Y1433-V1453 HydrophobicContact CD2-CG2 3.6Å; Y1433-V1453 HydrophobicContact CE2-CB 3.99Å; Y1433-V1453 HydrophobicContact CE2-CG2 3.62Å; L1451-V1453 HydrophobicContact CB-CG2 4.3Å; V1453-A1455 PolarHBondContact O-N 3.49Å |
| 1454 | D | 91.7 | Very high | 90.6 | Very high | 58 Ų | 58 | 54.7 Ų | 54.7 | 31% | 0.31 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 97.6 | 163.2 | 175 | 34.7 | 0 | 0 | 0 | 108.7 | A1348 I1349 A1350 R1456 | A1348-D1454 PolarHBondContact O-N 3.35Å; I1349-D1454 HydrophobicContact CG1-CB 4.17Å; A1350-D1454 PolarHBondContact N-O 2.84Å; D1454-R1456 PolarHBondContact O-N 3.41Å; D1454-R1456 IonicContact OD2-CZ 3.59Å; D1454-R1456 VanDerWaalsContact OD2-CZ 3.28Å; D1454-R1456 IonicContact OD2-NE 2.69Å; D1454-R1456 PolarHBondContact OD2-NE 2.8Å; D1454-R1456 IonicContact OD2-NH2 3.73Å; D1454-R1456 PolarHBondContact OD2-NH2 2.88Å |
| 1455 | A | 89.3 | Confident | 90.8 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 99.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | A1350 V1352 P1425 Y1427 V1428 G1429 V1453 | A1350-A1455 CarbonylContact O-C 3.49Å; A1350-A1455 WeakPolarHBondContact O-CA 3.48Å; V1352-A1455 HydrophobicContact CG2-CB 3.99Å; P1425-A1455 HydrophobicContact CB-CB 3.75Å; P1425-A1455 HydrophobicContact CG-CB 3.76Å; Y1427-A1455 VanDerWaalsContact O-CB 3.26Å; Y1427-A1455 WeakPolarHBondContact O-CB 3.24Å; V1428-A1455 WeakPolarHBondContact CA-O 3.46Å; G1429-A1455 PolarHBondContact N-O 2.69Å; G1429-A1455 WeakPolarHBondContact O-CA 3.22Å; G1429-A1455 VanDerWaalsContact O-CB 3.31Å; G1429-A1455 WeakPolarHBondContact O-CB 3.47Å; G1429-A1455 PolarHBondContact O-N 2.77Å; V1453-A1455 PolarHBondContact O-N 3.49Å |
| 1456 | R | 91.8 | Very high | 90.7 | Very high | 125 Ų | 125 | 51.8 Ų | 51.8 | 47% | 0.472 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 148.3 | -173.3 | -63.2 | -175.1 | 178.2 | 179.7 | 1.1 | 112.8 | I1349 A1350 V1352 D1454 | I1349-R1456 HydrophobicContact CG2-CG 4.3Å; A1350-R1456 PolarHBondContact O-N 3.2Å; V1352-R1456 WeakPolarHBondContact CG2-O 3.31Å; V1352-R1456 PolarHBondContact N-O 3.11Å; D1454-R1456 PolarHBondContact O-N 3.41Å; D1454-R1456 IonicContact OD2-CZ 3.59Å; D1454-R1456 VanDerWaalsContact OD2-CZ 3.28Å; D1454-R1456 IonicContact OD2-NE 2.69Å; D1454-R1456 PolarHBondContact OD2-NE 2.8Å; D1454-R1456 IonicContact OD2-NH2 3.73Å; D1454-R1456 PolarHBondContact OD2-NH2 2.88Å |
| 1457 | Q | 88.6 | Confident | 90.4 | Very high | 111 Ų | 111 | 57.7 Ų | 57.7 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 135.9 | 172.3 | -165.2 | 176.6 | 22.3 | 0 | 0 | 110.4 | V1428 Y1536 | V1428-Q1457 HydrophobicContact CG1-CB 4.17Å; V1428-Q1457 HydrophobicContact CG2-CB 4.16Å; V1428-Q1457 HydrophobicContact CG2-CG 4.35Å; Q1457-Y1536 PolarHBondContact NE2-OH 2.85Å |
| 1458 | P | 90 | Very high | 90 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 4% | 0.039 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 158.9 | 177.2 | 35.3 | -37 | 0 | 0 | 0 | 110.8 | T1351 I1460 Y1536 F1538 T1549 | T1351-P1458 HydrophobicContact CG2-CB 4.02Å; P1458-I1460 PolarHBondContact O-N 2.82Å; P1458-Y1536 HydrophobicContact CG-CD1 3.9Å; P1458-Y1536 HydrophobicContact CG-CE1 4.07Å; P1458-F1538 HydrophobicContact CG-CE1 4.23Å; P1458-T1549 HydrophobicContact CB-CG2 4.23Å; P1458-T1549 HydrophobicContact CG-CG2 3.84Å |
| 1459 | E | 90.3 | Very high | 89.1 | Confident | 168 Ų | 168 | 58 Ų | 58 | 79% | 0.785 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 116.3 | 173.3 | -168.8 | 172.7 | 176.4 | 0 | 0 | 110.3 | T1549 | E1459-T1549 WeakPolarHBondContact O-CB 3.49Å; E1459-T1549 PolarHBondContact O-OG1 3.42Å |
| 1460 | I | 91.2 | Very high | 87.9 | Confident | 63 Ų | 63 | 63.2 Ų | 63.2 | 32% | 0.323 | 31% | 0.31 | S | S | . | . | trans | -86.1 | 115.5 | -179.1 | -58.8 | 164 | 0 | 0 | 0 | 108.7 | P1458 K1462 Y1536 L1551 | P1458-I1460 PolarHBondContact O-N 2.82Å; I1460-K1462 WeakPolarHBondContact CG2-O 3.4Å; I1460-Y1536 HydrophobicContact CD1-CE1 4.05Å; I1460-Y1536 HydrophobicContact CG1-CE1 4.07Å; I1460-L1551 HydrophobicContact CD1-CB 4.28Å; I1460-L1551 HydrophobicContact CD1-CD2 4.03Å; I1460-L1551 HydrophobicContact CG1-CB 4.46Å; I1460-L1551 HydrophobicContact CG2-CB 3.8Å | ||
| 1461 | T | 90.6 | Very high | 86.3 | Confident | 62 Ų | 62 | 68.7 Ų | 68.7 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | trans | -93.3 | -28.4 | -177.3 | 60.6 | 0 | 0 | 0 | 0 | 113.2 | E1548 T1549 | T1461-E1548 HydrophobicContact CG2-CB 4.19Å; T1461-E1548 HydrophobicContact CG2-CG 4.09Å; T1461-E1548 WeakPolarHBondContact OG1-CB 3.06Å; T1461-T1549 PolarHBondContact N-O 3.06Å; T1461-T1549 PolarHBondContact OG1-N 2.81Å; T1461-T1549 PolarHBondContact OG1-O 2.69Å | ||
| 1462 | K | 91.4 | Very high | 84.6 | Confident | 83 Ų | 83 | 77.8 Ų | 77.8 | 36% | 0.361 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 148.8 | 175.5 | -53.8 | -171.5 | -178.9 | 89.5 | 0 | 110.1 | I1460 F1464 E1548 F1550 L1551 | I1460-K1462 WeakPolarHBondContact CG2-O 3.4Å; K1462-F1464 HydrophobicContact CB-CE2 3.8Å; K1462-F1464 HydrophobicContact CB-CZ 4.06Å; K1462-F1464 HydrophobicContact CD-CZ 4.32Å; K1462-E1548 IonicContact NZ-OE2 2.99Å; K1462-E1548 PolarHBondContact NZ-OE2 2.84Å; K1462-F1550 HydrophobicContact CB-CD1 3.66Å; K1462-F1550 HydrophobicContact CB-CE1 3.89Å; K1462-F1550 HydrophobicContact CB-CG 4.31Å; K1462-F1550 HydrophobicContact CD-CD1 4.25Å; K1462-F1550 HydrophobicContact CD-CE1 3.58Å; K1462-F1550 HydrophobicContact CD-CZ 3.81Å; K1462-F1550 HydrophobicContact CG-CD1 3.95Å; K1462-F1550 HydrophobicContact CG-CE1 3.65Å; K1462-F1550 HydrophobicContact CG-CZ 4.38Å; K1462-F1550 WeakPolarHBondContact O-CA 3.44Å; K1462-L1551 PolarHBondContact O-N 3.45Å |
| 1463 | S | 92.2 | Very high | 82.8 | Confident | 80 Ų | 80 | 80.7 Ų | 80.7 | 56% | 0.559 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 146.4 | 174.2 | 58.9 | 0 | 0 | 0 | 0 | 112.1 | L1551 | S1463-L1551 CarbonylContact C-O 3.52Å; S1463-L1551 VanDerWaalsContact CA-O 3.25Å; S1463-L1551 WeakPolarHBondContact CA-O 3.36Å |
| 1464 | F | 90.5 | Very high | 81.2 | Confident | 62 Ų | 62 | 88.1 Ų | 88.1 | 27% | 0.272 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 124.2 | -176.6 | -57.2 | -86.5 | 0 | 0 | 0 | 110.8 | K1462 I1466 I1481 F1550 L1551 I1552 I1553 | K1462-F1464 HydrophobicContact CB-CE2 3.8Å; K1462-F1464 HydrophobicContact CB-CZ 4.06Å; K1462-F1464 HydrophobicContact CD-CZ 4.32Å; F1464-I1466 HydrophobicContact CB-CG1 4.39Å; F1464-I1481 HydrophobicContact CD2-CD1 3.91Å; F1464-I1481 HydrophobicContact CE1-CG2 4.26Å; F1464-I1481 HydrophobicContact CE2-CD1 3.89Å; F1464-I1481 HydrophobicContact CE2-CG2 4.21Å; F1464-I1481 HydrophobicContact CG-CD1 4.26Å; F1464-I1481 HydrophobicContact CZ-CD1 4.22Å; F1464-I1481 HydrophobicContact CZ-CG2 3.72Å; F1464-F1550 HydrophobicContact CD2-CB 4.42Å; F1464-F1550 HydrophobicContact CE2-CB 4.12Å; F1464-F1550 AromaticContact CE2-CD2 3.89Å; F1464-F1550 HydrophobicContact CE2-CD2 3.89Å; F1464-F1550 HydrophobicContact CE2-CE2 4.44Å; F1464-F1550 AromaticContact CE2-CG 3.95Å; F1464-F1550 HydrophobicContact CE2-CG 3.95Å; F1464-L1551 PolarHBondContact N-O 3.03Å; F1464-I1552 HydrophobicContact CB-CG1 4.41Å; F1464-I1552 WeakPolarHBondContact O-CA 3.39Å; F1464-I1553 PolarHBondContact O-N 3.44Å |
| 1465 | N | 90.1 | Very high | 79.6 | Confident | 129 Ų | 129 | 90.4 Ų | 90.4 | 69% | 0.69 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 119.5 | 173.4 | -63 | -10.8 | 0 | 0 | 0 | 108.7 | ||
| 1466 | I | 86.2 | Confident | 78.5 | Confident | 23 Ų | 23 | 91.9 Ų | 91.9 | 12% | 0.118 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 121.7 | -174.3 | -55.9 | -175.9 | 0 | 0 | 0 | 109.6 | F1464 L1468 K1479 F1524 I1552 I1553 A1554 Q1555 | F1464-I1466 HydrophobicContact CB-CG1 4.39Å; I1466-L1468 HydrophobicContact CG2-CD2 3.78Å; I1466-L1468 HydrophobicContact CG2-CG 4.18Å; I1466-K1479 HydrophobicContact CG2-CG 4.43Å; I1466-F1524 HydrophobicContact CD1-CE2 4.28Å; I1466-F1524 HydrophobicContact CD1-CZ 3.86Å; I1466-I1552 HydrophobicContact CB-CG2 4.39Å; I1466-I1552 HydrophobicContact CD1-CD1 4.12Å; I1466-I1552 HydrophobicContact CD1-CG2 3.76Å; I1466-I1552 HydrophobicContact CG1-CG2 4.07Å; I1466-I1553 PolarHBondContact N-O 3.27Å; I1466-A1554 WeakPolarHBondContact O-CA 3.3Å; I1466-Q1555 PolarHBondContact O-N 3.33Å |
| 1467 | K | 83.9 | Confident | 77.7 | Confident | 142 Ų | 142 | 87.2 Ų | 87.2 | 62% | 0.617 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 133.6 | 167.3 | -63.5 | -165.7 | 173.8 | -161.2 | 0 | 110.5 | Q1555 | K1467-Q1555 WeakPolarHBondContact CA-O 3.44Å |
| 1468 | L | 81.2 | Confident | 77.6 | Confident | 6 Ų | 6 | 87.5 Ų | 87.5 | 3% | 0.031 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 145.2 | -178.4 | -60 | 171.9 | 0 | 0 | 0 | 108.8 | I1466 C1477 F1524 A1554 Q1555 Y1556 C1557 | I1466-L1468 HydrophobicContact CG2-CD2 3.78Å; I1466-L1468 HydrophobicContact CG2-CG 4.18Å; L1468-C1477 HydrophobicContact CD2-CB 3.98Å; L1468-F1524 HydrophobicContact CD1-CB 4.1Å; L1468-F1524 HydrophobicContact CD1-CD1 3.4Å; L1468-F1524 VanDerWaalsContact CD1-CD1 3.4Å; L1468-F1524 HydrophobicContact CD1-CE1 4.02Å; L1468-F1524 HydrophobicContact CD1-CG 3.94Å; L1468-F1524 HydrophobicContact CD2-CB 3.89Å; L1468-F1524 HydrophobicContact CD2-CD1 4.01Å; L1468-F1524 HydrophobicContact CD2-CD2 4.15Å; L1468-F1524 HydrophobicContact CD2-CG 3.76Å; L1468-F1524 HydrophobicContact CG-CD1 4.34Å; L1468-A1554 HydrophobicContact CD1-CB 3.87Å; L1468-Q1555 PolarHBondContact N-O 2.68Å; L1468-Y1556 HydrophobicContact CB-CD1 3.73Å; L1468-Y1556 HydrophobicContact CB-CE1 3.92Å; L1468-Y1556 HydrophobicContact CB-CG 4.41Å; L1468-Y1556 HydrophobicContact CD1-CD1 4.11Å; L1468-Y1556 HydrophobicContact CD1-CE1 3.52Å; L1468-Y1556 HydrophobicContact CD1-CE2 4.27Å; L1468-Y1556 HydrophobicContact CG-CE1 4.38Å; L1468-Y1556 CarbonylContact O-C 3.55Å; L1468-Y1556 WeakPolarHBondContact O-CA 3.33Å; L1468-C1557 PolarHBondContact O-N 2.68Å |
| 1469 | P | 73.1 | Confident | 77.5 | Confident | 42 Ų | 42 | 91.2 Ų | 91.2 | 27% | 0.273 | 46% | 0.461 | S | S | . | . | trans | -72 | 142.6 | 176.5 | 30.5 | -34.3 | 0 | 0 | 0 | 111.4 | I1473 C1557 | P1469-I1473 HydrophobicContact CB-CB 4.45Å; P1469-I1473 HydrophobicContact CB-CD1 4.23Å; P1469-C1557 CarbonylContact C-O 3.59Å; P1469-C1557 WeakPolarHBondContact CA-O 3.47Å | ||
| 1470 | R | 68.5 | Low | 77.4 | Confident | 112 Ų | 112 | 92 Ų | 92 | 42% | 0.423 | 46% | 0.457 | S | S | . | . | trans | -67.1 | 163.2 | 164.8 | -74.9 | 173.4 | 169.2 | -161.8 | -3.8 | 112.3 | E1472 I1473 D1531 Y1556 C1557 | R1470-E1472 PolarHBondContact O-N 2.88Å; R1470-I1473 PolarHBondContact O-N 2.84Å; R1470-D1531 IonicContact CZ-OD1 3.63Å; R1470-D1531 IonicContact NH2-OD1 2.81Å; R1470-D1531 PolarHBondContact NH2-OD1 3.44Å; R1470-Y1556 PolarHBondContact NE-O 3.5Å; R1470-C1557 WeakPolarHBondContact CD-OXT 3.29Å; R1470-C1557 PolarHBondContact N-O 3.4Å | ||
| 1471 | K | 59.8 | Low | 77.3 | Confident | 130 Ų | 130 | 89.8 Ų | 89.8 | 57% | 0.565 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -7.2 | -163.4 | -159.3 | 172.7 | 177.6 | -177.5 | 0 | 117.8 | I1473 Q1527 A1528 | K1471-I1473 PolarHBondContact O-N 3.14Å; K1471-Q1527 PolarHBondContact N-O 3.44Å; K1471-A1528 HydrophobicContact CD-CB 3.97Å |
| 1472 | E | 55.7 | Low | 77.2 | Confident | 194 Ų | 194 | 90 Ų | 90 | 91% | 0.907 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.4 | 173.7 | -63.6 | -172.7 | 158.9 | 0 | 0 | 112.6 | R1470 | R1470-E1472 PolarHBondContact O-N 2.88Š|
| 1473 | I | 52.6 | Low | 77.1 | Confident | 93 Ų | 93 | 86 Ų | 86 | 48% | 0.477 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -101.3 | 109.3 | 175.4 | -55.4 | 179.7 | 0 | 0 | 0 | 109.4 | P1469 R1470 K1471 T1475 | P1469-I1473 HydrophobicContact CB-CB 4.45Å; P1469-I1473 HydrophobicContact CB-CD1 4.23Å; R1470-I1473 PolarHBondContact O-N 2.84Å; K1471-I1473 PolarHBondContact O-N 3.14Å; I1473-T1475 VanDerWaalsContact C-N 3.25Å; I1473-T1475 WeakPolarHBondContact CG2-OG1 3.47Å; I1473-T1475 PolarHBondContact O-N 2.91Å |
| 1474 | I | 55.8 | Low | 77 | Confident | 161 Ų | 161 | 85.7 Ų | 85.7 | 83% | 0.826 | 43% | 0.431 | S | S | * | . | trans | -66.9 | -21.2 | -171.6 | -60.5 | 169.4 | 0 | 0 | 0 | 113.2 | A1476 | I1474-A1476 PolarHBondContact O-N 3.23Š| ||
| 1475 | T | 58.7 | Low | 77 | Confident | 106 Ų | 106 | 82.8 Ų | 82.8 | 65% | 0.65 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -78.6 | 109 | -176.7 | 53 | 0 | 0 | 0 | 0 | 112.9 | I1473 | I1473-T1475 VanDerWaalsContact C-N 3.25Å; I1473-T1475 WeakPolarHBondContact CG2-OG1 3.47Å; I1473-T1475 PolarHBondContact O-N 2.91Å |
| 1476 | A | 66.1 | Low | 76.7 | Confident | 32 Ų | 32 | 80.7 Ų | 80.7 | 26% | 0.264 | 41% | 0.412 | S | S | . | . | trans | -54.4 | 143.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1474 H1523 F1524 | I1474-A1476 PolarHBondContact O-N 3.23Å; A1476-H1523 VanDerWaalsContact CB-CE1 3.48Å; A1476-H1523 WeakPolarHBondContact CB-CE1 3.24Å; A1476-H1523 WeakPolarHBondContact CB-NE2 3.45Å; A1476-F1524 WeakPolarHBondContact CB-O 3.1Å | ||
| 1477 | C | 76.3 | Confident | 76.7 | Confident | 27 Ų | 27 | 84 Ų | 84 | 18% | 0.182 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 115.3 | -166.4 | -164.8 | 0 | 0 | 0 | 0 | 112 | L1468 K1479 F1524 | L1468-C1477 HydrophobicContact CD2-CB 3.98Å; C1477-K1479 VanDerWaalsContact SG-CE 3.59Å; C1477-F1524 HydrophobicContact CB-CB 4.21Å; C1477-F1524 PolarHBondContact N-O 2.93Å; C1477-F1524 VanDerWaalsContact N-O 3.12Å; C1477-F1524 PolarHBondContact O-N 2.84Å |
| 1478 | N | 85.1 | Confident | 76.8 | Confident | 116 Ų | 116 | 86.4 Ų | 86.4 | 62% | 0.62 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 127.2 | 174.4 | -67.7 | -69.4 | 0 | 0 | 0 | 111 | L1522 H1523 | N1478-L1522 WeakPolarHBondContact CA-O 2.92Å; N1478-H1523 PolarHBondContact OD1-ND1 2.6Å |
| 1479 | K | 87.4 | Confident | 77.1 | Confident | 84 Ų | 84 | 89.3 Ų | 89.3 | 37% | 0.365 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 166.5 | 171.3 | -59.9 | -63 | -173.9 | -171.5 | 0 | 110.2 | I1466 C1477 L1522 F1524 | I1466-K1479 HydrophobicContact CG2-CG 4.43Å; C1477-K1479 VanDerWaalsContact SG-CE 3.59Å; K1479-L1522 HydrophobicContact CB-CB 4.49Å; K1479-L1522 PolarHBondContact N-O 2.94Å; K1479-L1522 PolarHBondContact O-N 3.1Å; K1479-F1524 HydrophobicContact CB-CD2 4.5Å; K1479-F1524 HydrophobicContact CB-CE2 4.04Å; K1479-F1524 HydrophobicContact CG-CD2 4.09Å; K1479-F1524 HydrophobicContact CG-CE2 3.86Å |
| 1480 | R | 89 | Confident | 77.7 | Confident | 186 Ų | 186 | 93.1 Ų | 93.1 | 70% | 0.702 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 141.1 | 172.9 | -59.6 | -174.1 | -169.6 | 172.2 | 2.8 | 110.7 | Q1519 I1520 | R1480-Q1519 HydrophobicContact CB-CB 4.42Å; R1480-I1520 CarbonylContact C-O 3.33Å; R1480-I1520 VanDerWaalsContact CA-O 3.24Å; R1480-I1520 WeakPolarHBondContact CA-O 3.23Å |
| 1481 | I | 88.9 | Confident | 78.6 | Confident | 16 Ų | 16 | 89.9 Ų | 89.9 | 8% | 0.082 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128 | 173.5 | -59 | -177.3 | 0 | 0 | 0 | 108 | F1464 Q1519 I1520 L1522 F1550 I1552 | F1464-I1481 HydrophobicContact CD2-CD1 3.91Å; F1464-I1481 HydrophobicContact CE1-CG2 4.26Å; F1464-I1481 HydrophobicContact CE2-CD1 3.89Å; F1464-I1481 HydrophobicContact CE2-CG2 4.21Å; F1464-I1481 HydrophobicContact CG-CD1 4.26Å; F1464-I1481 HydrophobicContact CZ-CD1 4.22Å; F1464-I1481 HydrophobicContact CZ-CG2 3.72Å; I1481-Q1519 CarbonylContact O-C 3.53Å; I1481-Q1519 WeakPolarHBondContact O-CA 3.42Å; I1481-I1520 PolarHBondContact N-O 2.93Å; I1481-I1520 PolarHBondContact O-N 2.84Å; I1481-L1522 HydrophobicContact CD1-CD1 3.64Å; I1481-L1522 HydrophobicContact CG1-CD1 4.01Å; I1481-F1550 HydrophobicContact CD1-CD2 4.49Å; I1481-F1550 HydrophobicContact CG2-CD2 4.34Å; I1481-F1550 HydrophobicContact CG2-CE2 3.95Å; I1481-I1552 HydrophobicContact CD1-CD1 4.13Å |
| 1482 | A | 89.3 | Confident | 79.9 | Confident | 65 Ų | 65 | 84.9 Ų | 84.9 | 54% | 0.537 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 127.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | T1517 V1518 | A1482-T1517 HydrophobicContact CB-CG2 4.44Å; A1482-V1518 WeakPolarHBondContact CA-O 3.36Å |
| 1483 | Y | 89.6 | Confident | 81.3 | Confident | 1 Ų | 1 | 75.7 Ų | 75.7 | 0% | 0.004 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124.5 | 175.7 | -178 | -84.1 | 0 | 0 | 0 | 109.5 | P1486 L1493 I1512 T1517 V1518 I1520 I1539 E1548 F1550 | Y1483-P1486 WeakPolarHBondContact OH-CD 3.4Å; Y1483-L1493 HydrophobicContact CD1-CD1 3.91Å; Y1483-L1493 HydrophobicContact CE1-CD1 3.38Å; Y1483-I1512 HydrophobicContact CD1-CD1 3.51Å; Y1483-I1512 HydrophobicContact CE1-CD1 3.93Å; Y1483-T1517 CarbonylContact O-C 3.54Å; Y1483-T1517 VanDerWaalsContact O-CA 3.29Å; Y1483-T1517 WeakPolarHBondContact O-CA 3.29Å; Y1483-V1518 PolarHBondContact N-O 3.42Å; Y1483-V1518 PolarHBondContact O-N 3.13Å; Y1483-I1520 HydrophobicContact CD2-CD1 4.35Å; Y1483-I1520 HydrophobicContact CG-CD1 4.26Å; Y1483-I1539 HydrophobicContact CD2-CD1 3.66Å; Y1483-I1539 HydrophobicContact CE2-CD1 3.62Å; Y1483-I1539 HydrophobicContact CE2-CG2 4.38Å; Y1483-E1548 WeakPolarHBondContact CE2-OE1 3.48Å; Y1483-E1548 VanDerWaalsContact CZ-OE1 3.24Å; Y1483-E1548 PolarHBondContact OH-OE1 3.06Å; Y1483-F1550 HydrophobicContact CD2-CE2 4.26Å; Y1483-F1550 AromaticContact CD2-CZ 3.78Å; Y1483-F1550 HydrophobicContact CD2-CZ 3.78Å; Y1483-F1550 HydrophobicContact CE2-CZ 4.18Å |
| 1484 | T | 89.9 | Confident | 83 | Confident | 72 Ų | 72 | 72.8 Ų | 72.8 | 44% | 0.442 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 124.9 | 174.6 | -55 | 0 | 0 | 0 | 0 | 109 | P1486 G1516 T1517 | T1484-P1486 VanDerWaalsContact O-CD 3.29Å; T1484-P1486 WeakPolarHBondContact O-CD 3.36Å; T1484-G1516 CarbonylContact C-O 3.59Å; T1484-G1516 WeakPolarHBondContact CA-O 3.4Å; T1484-T1517 WeakPolarHBondContact CG2-OG1 3.3Å; T1484-T1517 PolarHBondContact OG1-OG1 2.96Å |
| 1485 | N | 88.7 | Confident | 84.6 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.011 | 34% | 0.342 | C | S | . | . | trans | -62.9 | 115 | 174.9 | 173.1 | 14.7 | 0 | 0 | 0 | 109.9 | Y1487 C1489 I1512 P1513 A1515 G1516 | N1485-Y1487 PolarHBondContact O-N 3.08Å; N1485-Y1487 WeakPolarHBondContact OD1-CB 3.44Å; N1485-Y1487 VanDerWaalsContact OD1-CD2 3.3Å; N1485-Y1487 WeakPolarHBondContact OD1-CD2 3.31Å; N1485-Y1487 PolarHBondContact OD1-N 2.85Å; N1485-C1489 PolarHBondContact ND2-O 3.01Å; N1485-I1512 HydrophobicContact CB-CB 4.15Å; N1485-I1512 HydrophobicContact CB-CG2 3.66Å; N1485-P1513 PolarHBondContact ND2-O 2.7Å; N1485-A1515 WeakPolarHBondContact O-CA 3.47Å; N1485-G1516 PolarHBondContact N-O 3.38Å | ||
| 1486 | P | 85.5 | Confident | 85.9 | Confident | 84 Ų | 84 | 64 Ų | 64 | 55% | 0.545 | 33% | 0.329 | S | S | . | . | trans | -76.6 | -9.5 | -178.7 | 32.3 | -35.7 | 0 | 0 | 0 | 113.1 | Y1483 T1484 | Y1483-P1486 WeakPolarHBondContact OH-CD 3.4Å; T1484-P1486 VanDerWaalsContact O-CD 3.29Å; T1484-P1486 WeakPolarHBondContact O-CD 3.36Å | ||
| 1487 | Y | 85.1 | Confident | 87 | Confident | 92 Ų | 92 | 63.1 Ų | 63.1 | 36% | 0.361 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -90.4 | 146.6 | -176.5 | -54.2 | -74.1 | 0 | 0 | 0 | 112.1 | N1485 C1489 K1491 A1515 L1547 | N1485-Y1487 PolarHBondContact O-N 3.08Å; N1485-Y1487 WeakPolarHBondContact OD1-CB 3.44Å; N1485-Y1487 VanDerWaalsContact OD1-CD2 3.3Å; N1485-Y1487 WeakPolarHBondContact OD1-CD2 3.31Å; N1485-Y1487 PolarHBondContact OD1-N 2.85Å; Y1487-C1489 PolarHBondContact O-N 2.97Å; Y1487-K1491 HydrophobicContact CD2-CD 4.34Å; Y1487-K1491 HydrophobicContact CD2-CG 3.88Å; Y1487-K1491 HydrophobicContact CG-CG 4.48Å; Y1487-A1515 PolarHBondContact O-N 2.88Å; Y1487-L1547 HydrophobicContact CE2-CD1 4.22Å |
| 1488 | Q | 86.5 | Confident | 87.4 | Confident | 193 Ų | 193 | 62.3 Ų | 62.3 | 90% | 0.902 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -77.9 | 11.6 | 174.6 | -64.7 | -173.5 | -6.3 | 0 | 0 | 113.6 | A1514 | Q1488-A1514 VanDerWaalsContact O-CB 3.29Å; Q1488-A1514 WeakPolarHBondContact O-CB 3.05Å |
| 1489 | C | 86.7 | Confident | 87.2 | Confident | 68 Ų | 68 | 58.6 Ų | 58.6 | 46% | 0.459 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -125.5 | 159.5 | 175.9 | 57.7 | 0 | 0 | 0 | 0 | 110.9 | N1485 Y1487 K1491 | N1485-C1489 PolarHBondContact ND2-O 3.01Å; Y1487-C1489 PolarHBondContact O-N 2.97Å; C1489-K1491 PolarHBondContact O-N 2.97Å |
| 1490 | K | 87.5 | Confident | 86.8 | Confident | 122 Ų | 122 | 55.5 Ų | 55.5 | 53% | 0.53 | 28% | 0.28 | S | S | . | . | trans | -61.1 | 134.8 | 168.2 | -171.7 | -167.6 | -175.6 | -167 | 0 | 108.8 | E1511 I1512 | K1490-E1511 VanDerWaalsContact CE-CD 3.41Å; K1490-E1511 WeakPolarHBondContact CE-OE1 3.46Å; K1490-E1511 WeakPolarHBondContact CE-OE2 3.27Å; K1490-E1511 IonicContact NZ-OE1 2.67Å; K1490-E1511 PolarHBondContact NZ-OE1 2.89Å; K1490-E1511 IonicContact NZ-OE2 3.87Å; K1490-E1511 PolarHBondContact NZ-OE2 2.92Å; K1490-I1512 WeakPolarHBondContact CA-O 3.49Å | ||
| 1491 | K | 85.5 | Confident | 85.9 | Confident | 44 Ų | 44 | 47.4 Ų | 47.4 | 19% | 0.191 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128.2 | 177.2 | -96.9 | -90.9 | -172.8 | 173.1 | 0 | 109.6 | Y1487 C1489 L1493 I1512 D1541 L1547 | Y1487-K1491 HydrophobicContact CD2-CD 4.34Å; Y1487-K1491 HydrophobicContact CD2-CG 3.88Å; Y1487-K1491 HydrophobicContact CG-CG 4.48Å; C1489-K1491 PolarHBondContact O-N 2.97Å; K1491-L1493 HydrophobicContact CB-CD2 4.25Å; K1491-L1493 HydrophobicContact CD-CD2 4.44Å; K1491-I1512 PolarHBondContact N-O 3.08Å; K1491-I1512 PolarHBondContact O-N 3.38Å; K1491-D1541 IonicContact NZ-OD2 3.91Å; K1491-L1547 HydrophobicContact CD-CD1 4.2Å |
| 1492 | T | 87.6 | Confident | 85.3 | Confident | 24 Ų | 24 | 46.7 Ų | 46.7 | 15% | 0.147 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 131.3 | 160.6 | -40.9 | 0 | 0 | 0 | 0 | 107.9 | I1509 M1510 E1511 E1542 | T1492-I1509 HydrophobicContact CG2-CG2 3.78Å; T1492-M1510 WeakPolarHBondContact CA-O 3.47Å; T1492-E1511 HydrophobicContact CG2-CG 4.38Å; T1492-E1542 WeakPolarHBondContact CB-OE1 3.29Å; T1492-E1542 PolarHBondContact OG1-OE1 2.87Å |
| 1493 | L | 86 | Confident | 85.1 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 134.2 | 178 | -58.7 | -178.4 | 0 | 0 | 0 | 109.8 | Y1483 K1491 I1509 M1510 I1512 I1539 K1540 L1547 | Y1483-L1493 HydrophobicContact CD1-CD1 3.91Å; Y1483-L1493 HydrophobicContact CE1-CD1 3.38Å; K1491-L1493 HydrophobicContact CB-CD2 4.25Å; K1491-L1493 HydrophobicContact CD-CD2 4.44Å; L1493-I1509 WeakPolarHBondContact O-CA 3.48Å; L1493-M1510 HydrophobicContact CB-CE 4.46Å; L1493-M1510 PolarHBondContact N-O 3.07Å; L1493-M1510 PolarHBondContact O-N 2.81Å; L1493-I1512 HydrophobicContact CD1-CD1 3.55Å; L1493-I1512 HydrophobicContact CD1-CG1 4.28Å; L1493-I1512 HydrophobicContact CG-CD1 4.44Å; L1493-I1539 HydrophobicContact CB-CG2 4.22Å; L1493-I1539 HydrophobicContact CD1-CG2 3.87Å; L1493-I1539 HydrophobicContact CD2-CG2 4.12Å; L1493-I1539 HydrophobicContact CG-CG2 4.31Å; L1493-K1540 WeakPolarHBondContact CA-O 3.5Å; L1493-L1547 HydrophobicContact CD2-CD1 3.63Å |
| 1494 | I | 87.7 | Confident | 84.9 | Confident | 32 Ų | 32 | 47.3 Ų | 47.3 | 16% | 0.164 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.2 | 175.2 | -57.4 | 172.3 | 0 | 0 | 0 | 107.6 | K1540 | I1494-K1540 HydrophobicContact CB-CB 4.38Å; I1494-K1540 PolarHBondContact N-O 2.83Å; I1494-K1540 PolarHBondContact O-N 2.86Å |
| 1495 | L | 89.1 | Confident | 84.7 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 125.2 | 179.2 | -60.8 | -175.4 | 0 | 0 | 0 | 111 | F1505 S1508 M1510 I1520 I1539 | L1495-F1505 HydrophobicContact CB-CD1 4.05Å; L1495-F1505 HydrophobicContact CB-CD2 4.04Å; L1495-F1505 HydrophobicContact CB-CE1 4.08Å; L1495-F1505 HydrophobicContact CB-CE2 4.08Å; L1495-F1505 HydrophobicContact CB-CG 4.03Å; L1495-F1505 HydrophobicContact CB-CZ 4.11Å; L1495-F1505 HydrophobicContact CD1-CD1 3.77Å; L1495-F1505 HydrophobicContact CD1-CE1 4.21Å; L1495-F1505 HydrophobicContact CD1-CG 4.23Å; L1495-S1508 PolarHBondContact N-O 3.38Å; L1495-M1510 HydrophobicContact CD1-CE 3.68Å; L1495-M1510 HydrophobicContact CD1-SD 4.18Å; L1495-M1510 HydrophobicContact CD2-CE 4.01Å; L1495-M1510 HydrophobicContact CG-CE 3.89Å; L1495-I1520 HydrophobicContact CD1-CB 4.46Å; L1495-I1520 HydrophobicContact CD1-CD1 4.16Å; L1495-I1520 HydrophobicContact CD1-CG1 4.15Å; L1495-I1520 HydrophobicContact CD1-CG2 3.6Å; L1495-I1520 HydrophobicContact CD2-CD1 4.1Å; L1495-I1539 HydrophobicContact CD2-CB 4.32Å; L1495-I1539 HydrophobicContact CD2-CG1 3.71Å; L1495-I1539 HydrophobicContact CD2-CG2 4.29Å |
| 1496 | E | 87.2 | Confident | 84.5 | Confident | 78 Ų | 78 | 53.3 Ų | 53.3 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 166.8 | 171.7 | -77 | 178.5 | -127.3 | 0 | 0 | 111.1 | F1505 I1537 F1538 K1540 | E1496-F1505 WeakPolarHBondContact O-CZ 3.19Å; E1496-I1537 CarbonylContact O-C 3.53Å; E1496-I1537 WeakPolarHBondContact O-CA 3.43Å; E1496-F1538 HydrophobicContact CB-CD2 4.04Å; E1496-F1538 PolarHBondContact N-O 2.98Å; E1496-F1538 VanDerWaalsContact N-O 3.08Å; E1496-F1538 PolarHBondContact O-N 3.18Å; E1496-K1540 VanDerWaalsContact OE1-CE 3.22Å; E1496-K1540 WeakPolarHBondContact OE1-CE 3.42Å; E1496-K1540 IonicContact OE1-NZ 3.52Å; E1496-K1540 PolarHBondContact OE1-NZ 2.76Å; E1496-K1540 WeakPolarHBondContact OE2-CE 3.4Å; E1496-K1540 IonicContact OE2-NZ 3.54Å; E1496-K1540 PolarHBondContact OE2-NZ 2.84Å |
| 1497 | T | 87.6 | Confident | 84.4 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 8% | 0.08 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 153.9 | 173.8 | 178.7 | 0 | 0 | 0 | 0 | 111 | R1499 F1505 I1535 Y1536 | T1497-R1499 PolarHBondContact OG1-N 2.87Å; T1497-F1505 HydrophobicContact CG2-CE2 3.93Å; T1497-F1505 HydrophobicContact CG2-CZ 4.19Å; T1497-I1535 WeakPolarHBondContact OG1-CG2 3.44Å; T1497-Y1536 WeakPolarHBondContact CA-O 3.2Å; T1497-Y1536 WeakPolarHBondContact CB-O 3.2Å; T1497-Y1536 PolarHBondContact OG1-O 2.85Å |
| 1498 | N | 84.8 | Confident | 84.3 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 5% | 0.053 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -70 | -32.6 | 170.3 | 67.2 | -35.6 | 0 | 0 | 0 | 112.5 | K1426 Y1536 F1538 | K1426-N1498 WeakPolarHBondContact O-CB 3.4Å; N1498-Y1536 PolarHBondContact N-O 2.87Å; N1498-Y1536 PolarHBondContact OD1-N 2.76Å; N1498-Y1536 PolarHBondContact OD1-O 2.87Å; N1498-F1538 HydrophobicContact CB-CE2 4.33Å; N1498-F1538 HydrophobicContact CB-CZ 4.25Å |
| 1499 | R | 82.3 | Confident | 84.2 | Confident | 38 Ų | 38 | 48.3 Ų | 48.3 | 14% | 0.143 | 24% | 0.241 | C | C | . | . | trans | -113.5 | 63.9 | -175.7 | -64.4 | -59.3 | -63.2 | -86.3 | -1.9 | 111.9 | Y1427 T1497 D1501 L1502 V1503 E1533 I1535 | Y1427-R1499 WeakPolarHBondContact OH-CD 3.37Å; T1497-R1499 PolarHBondContact OG1-N 2.87Å; R1499-D1501 WeakPolarHBondContact CA-OD1 3.38Å; R1499-D1501 WeakPolarHBondContact CB-OD1 3.45Å; R1499-D1501 IonicContact CZ-OD1 3.03Å; R1499-D1501 IonicContact CZ-OD2 2.69Å; R1499-D1501 IonicContact NE-OD1 3.28Å; R1499-D1501 PolarHBondContact NE-OD1 2.81Å; R1499-D1501 IonicContact NE-OD2 2.79Å; R1499-D1501 PolarHBondContact NE-OD2 2.89Å; R1499-D1501 IonicContact NH2-OD1 2.6Å; R1499-D1501 IonicContact NH2-OD2 2.69Å; R1499-D1501 PolarHBondContact NH2-OD2 2.79Å; R1499-D1501 PolarHBondContact O-N 3.03Å; R1499-L1502 HydrophobicContact CB-CB 4.1Å; R1499-L1502 HydrophobicContact CB-CD1 4.07Å; R1499-L1502 HydrophobicContact CB-CG 4.02Å; R1499-L1502 HydrophobicContact CG-CD1 4.3Å; R1499-L1502 PolarHBondContact O-N 2.78Å; R1499-V1503 PolarHBondContact O-N 2.63Å; R1499-E1533 IonicContact CZ-OE1 2.82Å; R1499-E1533 VanDerWaalsContact CZ-OE1 3.32Å; R1499-E1533 IonicContact CZ-OE2 2.64Å; R1499-E1533 IonicContact NH1-OE1 2.74Å; R1499-E1533 PolarHBondContact NH1-OE1 2.84Å; R1499-E1533 IonicContact NH1-OE2 2.72Å; R1499-E1533 PolarHBondContact NH1-OE2 3.11Å; R1499-E1533 IonicContact NH2-OE1 3.85Å; R1499-E1533 PolarHBondContact NH2-OE1 3.34Å; R1499-E1533 VanDerWaalsContact NH2-OE1 3.09Å; R1499-I1535 HydrophobicContact CB-CG1 4.1Å; R1499-I1535 HydrophobicContact CB-CG2 4.2Å; R1499-I1535 HydrophobicContact CG-CG1 4.37Å | ||
| 1500 | S | 78.2 | Confident | 84.2 | Confident | 19 Ų | 19 | 45.6 Ų | 45.6 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -12.4 | 173.9 | 49.2 | 0 | 0 | 0 | 0 | 114.3 | S718 V1503 | S718-S1500 WeakPolarHBondContact CA-OG 3.44Å; S718-S1500 WeakPolarHBondContact CB-OG 3.41Å; S1500-V1503 WeakPolarHBondContact CA-O 3.38Å |
| 1501 | D | 69.3 | Low | 84.2 | Confident | 17 Ų | 17 | 45.8 Ų | 45.8 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -24.9 | 169.8 | 62.4 | -50.8 | 0 | 0 | 0 | 113.2 | R717 R1499 V1525 | R717-D1501 HydrophobicContact CB-CB 3.81Å; R717-D1501 HydrophobicContact CG-CB 3.56Å; R1499-D1501 WeakPolarHBondContact CA-OD1 3.38Å; R1499-D1501 WeakPolarHBondContact CB-OD1 3.45Å; R1499-D1501 IonicContact CZ-OD1 3.03Å; R1499-D1501 IonicContact CZ-OD2 2.69Å; R1499-D1501 IonicContact NE-OD1 3.28Å; R1499-D1501 PolarHBondContact NE-OD1 2.81Å; R1499-D1501 IonicContact NE-OD2 2.79Å; R1499-D1501 PolarHBondContact NE-OD2 2.89Å; R1499-D1501 IonicContact NH2-OD1 2.6Å; R1499-D1501 IonicContact NH2-OD2 2.69Å; R1499-D1501 PolarHBondContact NH2-OD2 2.79Å; R1499-D1501 PolarHBondContact O-N 3.03Å; D1501-V1525 WeakPolarHBondContact O-CB 3.47Å; D1501-V1525 WeakPolarHBondContact O-CG2 3.33Å |
| 1502 | L | 78 | Confident | 84.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -37 | 178.5 | -57.9 | -171.9 | 0 | 0 | 0 | 112.2 | R1499 F1524 V1525 Q1527 E1533 I1535 | R1499-L1502 HydrophobicContact CB-CB 4.1Å; R1499-L1502 HydrophobicContact CB-CD1 4.07Å; R1499-L1502 HydrophobicContact CB-CG 4.02Å; R1499-L1502 HydrophobicContact CG-CD1 4.3Å; R1499-L1502 PolarHBondContact O-N 2.78Å; L1502-F1524 WeakPolarHBondContact O-CA 3.29Å; L1502-V1525 PolarHBondContact O-N 3.15Å; L1502-Q1527 HydrophobicContact CD2-CG 3.59Å; L1502-E1533 HydrophobicContact CD1-CB 3.85Å; L1502-E1533 HydrophobicContact CD1-CG 3.69Å; L1502-I1535 HydrophobicContact CB-CD1 3.68Å; L1502-I1535 HydrophobicContact CD1-CD1 3.72Å; L1502-I1535 HydrophobicContact CD1-CG1 4.05Å; L1502-I1535 HydrophobicContact CG-CD1 4.36Å |
| 1503 | V | 84.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 127.5 | -174.4 | 168.9 | 0 | 0 | 0 | 0 | 111.4 | R1499 S1500 L1522 H1523 F1524 I1535 | R1499-V1503 PolarHBondContact O-N 2.63Å; S1500-V1503 WeakPolarHBondContact CA-O 3.38Å; V1503-L1522 HydrophobicContact CG1-CD2 4.06Å; V1503-H1523 WeakPolarHBondContact CA-O 3.39Å; V1503-F1524 HydrophobicContact CG2-CD1 3.42Å; V1503-F1524 VanDerWaalsContact CG2-CD1 3.42Å; V1503-F1524 HydrophobicContact CG2-CE1 3.23Å; V1503-F1524 HydrophobicContact CG2-CE2 4.41Å; V1503-F1524 HydrophobicContact CG2-CG 4.13Å; V1503-F1524 HydrophobicContact CG2-CZ 3.77Å; V1503-I1535 HydrophobicContact CB-CG2 4.34Å; V1503-I1535 HydrophobicContact CG2-CD1 3.73Å; V1503-I1535 HydrophobicContact CG2-CG2 4.15Å |
| 1504 | Q | 85 | Confident | 84.4 | Confident | 79 Ų | 79 | 49 Ų | 49 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 147.2 | 170.4 | -62.2 | -179.9 | -4 | 0 | 0 | 110.4 | H1523 | Q1504-H1523 HydrophobicContact CB-CB 4.38Å; Q1504-H1523 PolarHBondContact N-O 2.9Å; Q1504-H1523 PolarHBondContact O-N 3.16Å |
| 1505 | F | 86.5 | Confident | 84.3 | Confident | 39 Ų | 39 | 51 Ų | 51 | 17% | 0.171 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 140.9 | 176.4 | -54.9 | -76.1 | 0 | 0 | 0 | 110.6 | L1495 E1496 T1497 E1507 I1520 G1521 L1522 I1537 | L1495-F1505 HydrophobicContact CB-CD1 4.05Å; L1495-F1505 HydrophobicContact CB-CD2 4.04Å; L1495-F1505 HydrophobicContact CB-CE1 4.08Å; L1495-F1505 HydrophobicContact CB-CE2 4.08Å; L1495-F1505 HydrophobicContact CB-CG 4.03Å; L1495-F1505 HydrophobicContact CB-CZ 4.11Å; L1495-F1505 HydrophobicContact CD1-CD1 3.77Å; L1495-F1505 HydrophobicContact CD1-CE1 4.21Å; L1495-F1505 HydrophobicContact CD1-CG 4.23Å; E1496-F1505 WeakPolarHBondContact O-CZ 3.19Å; T1497-F1505 HydrophobicContact CG2-CE2 3.93Å; T1497-F1505 HydrophobicContact CG2-CZ 4.19Å; F1505-E1507 VanDerWaalsContact C-N 3.31Å; F1505-I1520 HydrophobicContact CD1-CG2 4.15Å; F1505-G1521 WeakPolarHBondContact CA-O 3.49Å; F1505-L1522 HydrophobicContact CD1-CD2 3.57Å; F1505-L1522 HydrophobicContact CE1-CD2 3.58Å; F1505-I1537 HydrophobicContact CE1-CD1 4.08Å; F1505-I1537 HydrophobicContact CE1-CG1 4.03Å; F1505-I1537 HydrophobicContact CE1-CG2 3.74Å; F1505-I1537 HydrophobicContact CZ-CB 4.4Å; F1505-I1537 HydrophobicContact CZ-CG1 4.01Å; F1505-I1537 HydrophobicContact CZ-CG2 3.81Å |
| 1506 | K | 83.9 | Confident | 84.2 | Confident | 162 Ų | 162 | 51.5 Ų | 51.5 | 70% | 0.704 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -63.9 | -39.2 | 171.1 | 179 | 176.2 | 178.2 | -79.7 | 0 | 111.9 | G1521 | K1506-G1521 PolarHBondContact N-O 2.89Š|
| 1507 | E | 83.3 | Confident | 84.2 | Confident | 95 Ų | 95 | 52.2 Ų | 52.2 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | trans | -136.7 | 119.5 | 178.2 | -79.7 | 144.2 | -122.4 | 0 | 0 | 106.6 | F1505 M1510 | F1505-E1507 VanDerWaalsContact C-N 3.31Å; E1507-M1510 HydrophobicContact CB-CG 4.39Å | ||
| 1508 | S | 82.4 | Confident | 84.3 | Confident | 60 Ų | 60 | 53.6 Ų | 53.6 | 42% | 0.42 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -90.9 | -15.3 | -178.3 | 52.7 | 0 | 0 | 0 | 0 | 113.7 | L1495 | L1495-S1508 PolarHBondContact N-O 3.38Š|
| 1509 | I | 86.4 | Confident | 84.5 | Confident | 108 Ų | 108 | 58.6 Ų | 58.6 | 55% | 0.554 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 128.5 | 174.6 | -55.1 | 178.1 | 0 | 0 | 0 | 107.2 | T1492 L1493 | T1492-I1509 HydrophobicContact CG2-CG2 3.78Å; L1493-I1509 WeakPolarHBondContact O-CA 3.48Å |
| 1510 | M | 85.1 | Confident | 84.8 | Confident | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.059 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 131.1 | -179.2 | -57.2 | 175.1 | -57.7 | 0 | 0 | 110.3 | T1492 L1493 L1495 E1507 I1512 V1518 I1520 | T1492-M1510 WeakPolarHBondContact CA-O 3.47Å; L1493-M1510 HydrophobicContact CB-CE 4.46Å; L1493-M1510 PolarHBondContact N-O 3.07Å; L1493-M1510 PolarHBondContact O-N 2.81Å; L1495-M1510 HydrophobicContact CD1-CE 3.68Å; L1495-M1510 HydrophobicContact CD1-SD 4.18Å; L1495-M1510 HydrophobicContact CD2-CE 4.01Å; L1495-M1510 HydrophobicContact CG-CE 3.89Å; E1507-M1510 HydrophobicContact CB-CG 4.39Å; M1510-I1512 HydrophobicContact CB-CG1 4.39Å; M1510-I1512 HydrophobicContact CE-CD1 4.44Å; M1510-V1518 HydrophobicContact CE-CG1 4.19Å; M1510-V1518 HydrophobicContact SD-CG1 3.84Å; M1510-V1518 HydrophobicContact SD-CG2 4.41Å; M1510-I1520 HydrophobicContact CE-CD1 4.23Å; M1510-I1520 HydrophobicContact CE-CG1 3.92Å; M1510-I1520 HydrophobicContact SD-CG1 4.18Å |
| 1511 | E | 87.2 | Confident | 85.3 | Confident | 126 Ų | 126 | 56.8 Ų | 56.8 | 59% | 0.589 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 118.9 | 167 | -67.6 | -161.1 | 123.3 | 0 | 0 | 110.1 | K1490 T1492 | K1490-E1511 VanDerWaalsContact CE-CD 3.41Å; K1490-E1511 WeakPolarHBondContact CE-OE1 3.46Å; K1490-E1511 WeakPolarHBondContact CE-OE2 3.27Å; K1490-E1511 IonicContact NZ-OE1 2.67Å; K1490-E1511 PolarHBondContact NZ-OE1 2.89Å; K1490-E1511 IonicContact NZ-OE2 3.87Å; K1490-E1511 PolarHBondContact NZ-OE2 2.92Å; T1492-E1511 HydrophobicContact CG2-CG 4.38Å |
| 1512 | I | 87.6 | Confident | 86.3 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.015 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.6 | 179.4 | -46.3 | -173.9 | 0 | 0 | 0 | 109.8 | Y1483 N1485 K1490 K1491 L1493 M1510 G1516 V1518 | Y1483-I1512 HydrophobicContact CD1-CD1 3.51Å; Y1483-I1512 HydrophobicContact CE1-CD1 3.93Å; N1485-I1512 HydrophobicContact CB-CB 4.15Å; N1485-I1512 HydrophobicContact CB-CG2 3.66Å; K1490-I1512 WeakPolarHBondContact CA-O 3.49Å; K1491-I1512 PolarHBondContact N-O 3.08Å; K1491-I1512 PolarHBondContact O-N 3.38Å; L1493-I1512 HydrophobicContact CD1-CD1 3.55Å; L1493-I1512 HydrophobicContact CD1-CG1 4.28Å; L1493-I1512 HydrophobicContact CG-CD1 4.44Å; M1510-I1512 HydrophobicContact CB-CG1 4.39Å; M1510-I1512 HydrophobicContact CE-CD1 4.44Å; I1512-G1516 VanDerWaalsContact CG2-O 3.3Å; I1512-G1516 WeakPolarHBondContact CG2-O 3.33Å; I1512-V1518 HydrophobicContact CD1-CB 4.19Å; I1512-V1518 HydrophobicContact CD1-CG1 3.48Å; I1512-V1518 VanDerWaalsContact CD1-CG1 3.48Å; I1512-V1518 HydrophobicContact CG1-CG1 4.25Å |
| 1513 | P | 88.8 | Confident | 86.8 | Confident | 82 Ų | 82 | 59 Ų | 59 | 53% | 0.532 | 33% | 0.328 | S | S | . | . | trans | -66.8 | 167.5 | 174.6 | 28.2 | -33.8 | 0 | 0 | 0 | 111.8 | N1485 A1515 G1516 | N1485-P1513 PolarHBondContact ND2-O 2.7Å; P1513-A1515 PolarHBondContact O-N 2.64Å; P1513-G1516 PolarHBondContact O-N 2.96Å | ||
| 1514 | A | 87.4 | Confident | 86.9 | Confident | 50 Ų | 50 | 59.1 Ų | 59.1 | 41% | 0.413 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 129.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q1488 G1516 | Q1488-A1514 VanDerWaalsContact O-CB 3.29Å; Q1488-A1514 WeakPolarHBondContact O-CB 3.05Å; A1514-G1516 PolarHBondContact O-N 3.5Å |
| 1515 | A | 86.3 | Confident | 86.6 | Confident | 76 Ų | 76 | 57.1 Ų | 57.1 | 63% | 0.628 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 12.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | N1485 Y1487 P1513 | N1485-A1515 WeakPolarHBondContact O-CA 3.47Å; Y1487-A1515 PolarHBondContact O-N 2.88Å; P1513-A1515 PolarHBondContact O-N 2.64Å |
| 1516 | G | 86.1 | Confident | 85.8 | Confident | 15 Ų | 15 | 56.8 Ų | 56.8 | 16% | 0.155 | 32% | 0.323 | C | S | . | . | trans | -72.6 | 148.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | T1484 N1485 I1512 P1513 A1514 | T1484-G1516 CarbonylContact C-O 3.59Å; T1484-G1516 WeakPolarHBondContact CA-O 3.4Å; N1485-G1516 PolarHBondContact N-O 3.38Å; I1512-G1516 VanDerWaalsContact CG2-O 3.3Å; I1512-G1516 WeakPolarHBondContact CG2-O 3.33Å; P1513-G1516 PolarHBondContact O-N 2.96Å; A1514-G1516 PolarHBondContact O-N 3.5Å | ||
| 1517 | T | 88.2 | Confident | 85 | Confident | 92 Ų | 92 | 50.3 Ų | 50.3 | 56% | 0.564 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 129.4 | 175.2 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | A1482 Y1483 T1484 | A1482-T1517 HydrophobicContact CB-CG2 4.44Å; Y1483-T1517 CarbonylContact O-C 3.54Å; Y1483-T1517 VanDerWaalsContact O-CA 3.29Å; Y1483-T1517 WeakPolarHBondContact O-CA 3.29Å; T1484-T1517 WeakPolarHBondContact CG2-OG1 3.3Å; T1484-T1517 PolarHBondContact OG1-OG1 2.96Å |
| 1518 | V | 88.7 | Confident | 84 | Confident | 43 Ų | 43 | 48.6 Ų | 48.6 | 26% | 0.261 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 165.9 | 174.5 | 79.6 | 0 | 0 | 0 | 0 | 110.2 | A1482 Y1483 M1510 I1512 | A1482-V1518 WeakPolarHBondContact CA-O 3.36Å; Y1483-V1518 PolarHBondContact N-O 3.42Å; Y1483-V1518 PolarHBondContact O-N 3.13Å; M1510-V1518 HydrophobicContact CE-CG1 4.19Å; M1510-V1518 HydrophobicContact SD-CG1 3.84Å; M1510-V1518 HydrophobicContact SD-CG2 4.41Å; I1512-V1518 HydrophobicContact CD1-CB 4.19Å; I1512-V1518 HydrophobicContact CD1-CG1 3.48Å; I1512-V1518 VanDerWaalsContact CD1-CG1 3.48Å; I1512-V1518 HydrophobicContact CG1-CG1 4.25Å |
| 1519 | Q | 89.4 | Confident | 82.9 | Confident | 114 Ų | 114 | 51.7 Ų | 51.7 | 53% | 0.533 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 109.9 | 170 | -72.4 | -170 | -3.8 | 0 | 0 | 110.8 | R1480 I1481 G1521 | R1480-Q1519 HydrophobicContact CB-CB 4.42Å; I1481-Q1519 CarbonylContact O-C 3.53Å; I1481-Q1519 WeakPolarHBondContact O-CA 3.42Å; Q1519-G1521 PolarHBondContact O-N 2.76Å |
| 1520 | I | 89.5 | Confident | 81.7 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 113.8 | 172.1 | -59.6 | 179.2 | 0 | 0 | 0 | 108.2 | R1480 I1481 Y1483 L1495 F1505 M1510 L1522 I1539 F1550 | R1480-I1520 CarbonylContact C-O 3.33Å; R1480-I1520 VanDerWaalsContact CA-O 3.24Å; R1480-I1520 WeakPolarHBondContact CA-O 3.23Å; I1481-I1520 PolarHBondContact N-O 2.93Å; I1481-I1520 PolarHBondContact O-N 2.84Å; Y1483-I1520 HydrophobicContact CD2-CD1 4.35Å; Y1483-I1520 HydrophobicContact CG-CD1 4.26Å; L1495-I1520 HydrophobicContact CD1-CB 4.46Å; L1495-I1520 HydrophobicContact CD1-CD1 4.16Å; L1495-I1520 HydrophobicContact CD1-CG1 4.15Å; L1495-I1520 HydrophobicContact CD1-CG2 3.6Å; L1495-I1520 HydrophobicContact CD2-CD1 4.1Å; F1505-I1520 HydrophobicContact CD1-CG2 4.15Å; M1510-I1520 HydrophobicContact CE-CD1 4.23Å; M1510-I1520 HydrophobicContact CE-CG1 3.92Å; M1510-I1520 HydrophobicContact SD-CG1 4.18Å; I1520-L1522 HydrophobicContact CG2-CD2 3.8Å; I1520-L1522 HydrophobicContact CG2-CG 4.37Å; I1520-I1539 HydrophobicContact CD1-CD1 4.37Å; I1520-F1550 HydrophobicContact CD1-CE2 4.47Å |
| 1521 | G | 88.9 | Confident | 80.8 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 16% | 0.155 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 121.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1505 K1506 Q1519 | F1505-G1521 WeakPolarHBondContact CA-O 3.49Å; K1506-G1521 PolarHBondContact N-O 2.89Å; Q1519-G1521 PolarHBondContact O-N 2.76Å |
| 1522 | L | 89.5 | Confident | 80.4 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.4 | 178.6 | -57 | 180 | 0 | 0 | 0 | 110.4 | N1478 K1479 I1481 V1503 F1505 I1520 F1524 I1537 I1552 | N1478-L1522 WeakPolarHBondContact CA-O 2.92Å; K1479-L1522 HydrophobicContact CB-CB 4.49Å; K1479-L1522 PolarHBondContact N-O 2.94Å; K1479-L1522 PolarHBondContact O-N 3.1Å; I1481-L1522 HydrophobicContact CD1-CD1 3.64Å; I1481-L1522 HydrophobicContact CG1-CD1 4.01Å; V1503-L1522 HydrophobicContact CG1-CD2 4.06Å; F1505-L1522 HydrophobicContact CD1-CD2 3.57Å; F1505-L1522 HydrophobicContact CE1-CD2 3.58Å; I1520-L1522 HydrophobicContact CG2-CD2 3.8Å; I1520-L1522 HydrophobicContact CG2-CG 4.37Å; L1522-F1524 HydrophobicContact CB-CD2 4.36Å; L1522-F1524 HydrophobicContact CB-CE2 3.79Å; L1522-F1524 HydrophobicContact CD1-CE2 4.19Å; L1522-F1524 HydrophobicContact CD1-CZ 4.31Å; L1522-I1537 HydrophobicContact CD1-CD1 3.84Å; L1522-I1537 HydrophobicContact CD2-CD1 3.73Å; L1522-I1537 HydrophobicContact CG-CD1 4.46Å; L1522-I1552 HydrophobicContact CD1-CD1 3.51Å |
| 1523 | H | 87.9 | Confident | 80.1 | Confident | 62 Ų | 62 | 51.9 Ų | 51.9 | 29% | 0.287 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 114.5 | 177.3 | -170.7 | 77.5 | 0 | 0 | 0 | 109.5 | A1476 N1478 V1503 Q1504 | A1476-H1523 VanDerWaalsContact CB-CE1 3.48Å; A1476-H1523 WeakPolarHBondContact CB-CE1 3.24Å; A1476-H1523 WeakPolarHBondContact CB-NE2 3.45Å; N1478-H1523 PolarHBondContact OD1-ND1 2.6Å; V1503-H1523 WeakPolarHBondContact CA-O 3.39Å; Q1504-H1523 HydrophobicContact CB-CB 4.38Å; Q1504-H1523 PolarHBondContact N-O 2.9Å; Q1504-H1523 PolarHBondContact O-N 3.16Å |
| 1524 | F | 86.3 | Confident | 80 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.009 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 125.9 | -177.6 | -71.9 | -96.5 | 0 | 0 | 0 | 112 | I1466 L1468 A1476 C1477 K1479 L1502 V1503 L1522 I1535 I1552 A1554 | I1466-F1524 HydrophobicContact CD1-CE2 4.28Å; I1466-F1524 HydrophobicContact CD1-CZ 3.86Å; L1468-F1524 HydrophobicContact CD1-CB 4.1Å; L1468-F1524 HydrophobicContact CD1-CD1 3.4Å; L1468-F1524 VanDerWaalsContact CD1-CD1 3.4Å; L1468-F1524 HydrophobicContact CD1-CE1 4.02Å; L1468-F1524 HydrophobicContact CD1-CG 3.94Å; L1468-F1524 HydrophobicContact CD2-CB 3.89Å; L1468-F1524 HydrophobicContact CD2-CD1 4.01Å; L1468-F1524 HydrophobicContact CD2-CD2 4.15Å; L1468-F1524 HydrophobicContact CD2-CG 3.76Å; L1468-F1524 HydrophobicContact CG-CD1 4.34Å; A1476-F1524 WeakPolarHBondContact CB-O 3.1Å; C1477-F1524 HydrophobicContact CB-CB 4.21Å; C1477-F1524 PolarHBondContact N-O 2.93Å; C1477-F1524 VanDerWaalsContact N-O 3.12Å; C1477-F1524 PolarHBondContact O-N 2.84Å; K1479-F1524 HydrophobicContact CB-CD2 4.5Å; K1479-F1524 HydrophobicContact CB-CE2 4.04Å; K1479-F1524 HydrophobicContact CG-CD2 4.09Å; K1479-F1524 HydrophobicContact CG-CE2 3.86Å; L1502-F1524 WeakPolarHBondContact O-CA 3.29Å; V1503-F1524 HydrophobicContact CG2-CD1 3.42Å; V1503-F1524 VanDerWaalsContact CG2-CD1 3.42Å; V1503-F1524 HydrophobicContact CG2-CE1 3.23Å; V1503-F1524 HydrophobicContact CG2-CE2 4.41Å; V1503-F1524 HydrophobicContact CG2-CG 4.13Å; V1503-F1524 HydrophobicContact CG2-CZ 3.77Å; L1522-F1524 HydrophobicContact CB-CD2 4.36Å; L1522-F1524 HydrophobicContact CB-CE2 3.79Å; L1522-F1524 HydrophobicContact CD1-CE2 4.19Å; L1522-F1524 HydrophobicContact CD1-CZ 4.31Å; F1524-I1535 HydrophobicContact CE1-CD1 4.34Å; F1524-I1552 HydrophobicContact CE1-CG2 4.16Å; F1524-I1552 HydrophobicContact CZ-CD1 3.99Å; F1524-I1552 HydrophobicContact CZ-CG2 4.1Å; F1524-A1554 HydrophobicContact CE1-CB 4.5Å |
| 1525 | V | 78.4 | Confident | 80.1 | Confident | 37 Ų | 37 | 50.7 Ų | 50.7 | 22% | 0.224 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -81.6 | 126.9 | 176.7 | -176 | 0 | 0 | 0 | 0 | 109.8 | D1501 L1502 Y1556 | D1501-V1525 WeakPolarHBondContact O-CB 3.47Å; D1501-V1525 WeakPolarHBondContact O-CG2 3.33Å; L1502-V1525 PolarHBondContact O-N 3.15Å; V1525-Y1556 PolarHBondContact O-OH 3.16Å |
| 1526 | P | 70.8 | Confident | 80.3 | Confident | 33 Ų | 33 | 47.8 Ų | 47.8 | 21% | 0.214 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 133.2 | -177.5 | 28 | -33.9 | 0 | 0 | 0 | 112.4 | ||
| 1527 | Q | 67 | Low | 80.6 | Confident | 25 Ų | 25 | 47.1 Ų | 47.1 | 12% | 0.117 | 27% | 0.272 | C | S | . | . | trans | -105.5 | 159.6 | -178.9 | -66.2 | -57.3 | -34.5 | 0 | 0 | 113.2 | K1471 L1502 Y1556 | K1471-Q1527 PolarHBondContact N-O 3.44Å; L1502-Q1527 HydrophobicContact CD2-CG 3.59Å; Q1527-Y1556 HydrophobicContact CB-CD1 4.06Å; Q1527-Y1556 HydrophobicContact CB-CD2 4.29Å; Q1527-Y1556 HydrophobicContact CB-CE1 3.92Å; Q1527-Y1556 HydrophobicContact CB-CE2 4.17Å; Q1527-Y1556 HydrophobicContact CB-CG 4.25Å; Q1527-Y1556 HydrophobicContact CG-CE1 3.92Å; Q1527-Y1556 HydrophobicContact CG-CE2 3.99Å | ||
| 1528 | A | 61.4 | Low | 80.7 | Confident | 60 Ų | 60 | 42.8 Ų | 42.8 | 50% | 0.496 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -103.4 | -30.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K1471 | K1471-A1528 HydrophobicContact CD-CB 3.97Š|
| 1529 | T | 59.7 | Low | 80.8 | Confident | 125 Ų | 125 | 40.8 Ų | 40.8 | 77% | 0.767 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -131.1 | -2.1 | -158.9 | 46 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1530 | V | 60.9 | Low | 80.7 | Confident | 48 Ų | 48 | 35.6 Ų | 35.6 | 29% | 0.291 | 21% | 0.208 | S | C | . | . | trans | -120.7 | 122.2 | -170.3 | -164.2 | 0 | 0 | 0 | 0 | 111.4 | E1533 Y1556 | V1530-E1533 HydrophobicContact CB-CG 4.36Å; V1530-E1533 HydrophobicContact CG1-CG 3.71Å; V1530-Y1556 WeakPolarHBondContact O-CB 3.48Å; V1530-Y1556 WeakPolarHBondContact O-CD2 3.39Å | ||
| 1531 | D | 67.1 | Low | 80.6 | Confident | 97 Ų | 97 | 36.3 Ų | 36.3 | 52% | 0.519 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -76.4 | -39 | -174.9 | -75.4 | -6.3 | 0 | 0 | 0 | 113.8 | R1470 Q1555 Y1556 | R1470-D1531 IonicContact CZ-OD1 3.63Å; R1470-D1531 IonicContact NH2-OD1 2.81Å; R1470-D1531 PolarHBondContact NH2-OD1 3.44Å; D1531-Q1555 WeakPolarHBondContact O-CA 3.31Å; D1531-Q1555 WeakPolarHBondContact O-CG 3.49Å; D1531-Y1556 PolarHBondContact O-N 2.67Å |
| 1532 | S | 79.1 | Confident | 80.1 | Confident | 75 Ų | 75 | 41.2 Ų | 41.2 | 52% | 0.524 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 130.2 | -179.4 | 62.4 | 0 | 0 | 0 | 0 | 112.4 | A1554 | S1532-A1554 CarbonylContact C-O 3.58Å; S1532-A1554 WeakPolarHBondContact CA-O 3.19Å |
| 1533 | E | 81.4 | Confident | 79.4 | Confident | 33 Ų | 33 | 48.7 Ų | 48.7 | 15% | 0.154 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 146.4 | -177.5 | -81.6 | -80.4 | -153.3 | 0 | 0 | 111.8 | R1499 L1502 V1530 I1553 A1554 Y1556 | R1499-E1533 IonicContact CZ-OE1 2.82Å; R1499-E1533 VanDerWaalsContact CZ-OE1 3.32Å; R1499-E1533 IonicContact CZ-OE2 2.64Å; R1499-E1533 IonicContact NH1-OE1 2.74Å; R1499-E1533 PolarHBondContact NH1-OE1 2.84Å; R1499-E1533 IonicContact NH1-OE2 2.72Å; R1499-E1533 PolarHBondContact NH1-OE2 3.11Å; R1499-E1533 IonicContact NH2-OE1 3.85Å; R1499-E1533 PolarHBondContact NH2-OE1 3.34Å; R1499-E1533 VanDerWaalsContact NH2-OE1 3.09Å; L1502-E1533 HydrophobicContact CD1-CB 3.85Å; L1502-E1533 HydrophobicContact CD1-CG 3.69Å; V1530-E1533 HydrophobicContact CB-CG 4.36Å; V1530-E1533 HydrophobicContact CG1-CG 3.71Å; E1533-I1553 WeakPolarHBondContact O-CA 3.46Å; E1533-A1554 HydrophobicContact CB-CB 4.37Å; E1533-A1554 PolarHBondContact N-O 3.49Å; E1533-A1554 PolarHBondContact O-N 3.3Å; E1533-Y1556 HydrophobicContact CG-CE2 4.36Å |
| 1534 | Q | 86.8 | Confident | 78.8 | Confident | 107 Ų | 107 | 46 Ų | 46 | 50% | 0.5 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 111 | 174.5 | -69.8 | -168.3 | 17.6 | 0 | 0 | 110.9 | L1551 | Q1534-L1551 HydrophobicContact CB-CD1 4.11Å; Q1534-L1551 HydrophobicContact CG-CD1 4.45Å |
| 1535 | I | 88.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 118.8 | -174.9 | -55.1 | 176.4 | 0 | 0 | 0 | 108.8 | T1497 R1499 L1502 V1503 F1524 I1552 A1554 | T1497-I1535 WeakPolarHBondContact OG1-CG2 3.44Å; R1499-I1535 HydrophobicContact CB-CG1 4.1Å; R1499-I1535 HydrophobicContact CB-CG2 4.2Å; R1499-I1535 HydrophobicContact CG-CG1 4.37Å; L1502-I1535 HydrophobicContact CB-CD1 3.68Å; L1502-I1535 HydrophobicContact CD1-CD1 3.72Å; L1502-I1535 HydrophobicContact CD1-CG1 4.05Å; L1502-I1535 HydrophobicContact CG-CD1 4.36Å; V1503-I1535 HydrophobicContact CB-CG2 4.34Å; V1503-I1535 HydrophobicContact CG2-CD1 3.73Å; V1503-I1535 HydrophobicContact CG2-CG2 4.15Å; F1524-I1535 HydrophobicContact CE1-CD1 4.34Å; I1535-I1552 HydrophobicContact CB-CB 4.29Å; I1535-I1552 PolarHBondContact N-O 3.32Å; I1535-I1552 PolarHBondContact O-N 3.26Å; I1535-A1554 HydrophobicContact CD1-CB 3.98Å |
| 1536 | Y | 90.6 | Very high | 79.1 | Confident | 14 Ų | 14 | 50.6 Ų | 50.6 | 6% | 0.055 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 135.2 | 171.5 | -64.5 | -84.9 | 0 | 0 | 0 | 109.6 | Q1457 P1458 I1460 T1497 N1498 F1538 T1549 F1550 L1551 | Q1457-Y1536 PolarHBondContact NE2-OH 2.85Å; P1458-Y1536 HydrophobicContact CG-CD1 3.9Å; P1458-Y1536 HydrophobicContact CG-CE1 4.07Å; I1460-Y1536 HydrophobicContact CD1-CE1 4.05Å; I1460-Y1536 HydrophobicContact CG1-CE1 4.07Å; T1497-Y1536 WeakPolarHBondContact CA-O 3.2Å; T1497-Y1536 WeakPolarHBondContact CB-O 3.2Å; T1497-Y1536 PolarHBondContact OG1-O 2.85Å; N1498-Y1536 PolarHBondContact N-O 2.87Å; N1498-Y1536 PolarHBondContact OD1-N 2.76Å; N1498-Y1536 PolarHBondContact OD1-O 2.87Å; Y1536-F1538 HydrophobicContact CG-CE1 4.37Å; Y1536-T1549 HydrophobicContact CD1-CG2 4Å; Y1536-F1550 WeakPolarHBondContact CA-O 3.5Å; Y1536-L1551 HydrophobicContact CD1-CD1 4.36Å; Y1536-L1551 HydrophobicContact CE1-CD1 4.08Å |
| 1537 | I | 91.7 | Very high | 79.9 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 119.8 | 165.9 | -66.1 | 168.7 | 0 | 0 | 0 | 107.2 | E1496 F1505 L1522 I1539 T1549 F1550 I1552 | E1496-I1537 CarbonylContact O-C 3.53Å; E1496-I1537 WeakPolarHBondContact O-CA 3.43Å; F1505-I1537 HydrophobicContact CE1-CD1 4.08Å; F1505-I1537 HydrophobicContact CE1-CG1 4.03Å; F1505-I1537 HydrophobicContact CE1-CG2 3.74Å; F1505-I1537 HydrophobicContact CZ-CB 4.4Å; F1505-I1537 HydrophobicContact CZ-CG1 4.01Å; F1505-I1537 HydrophobicContact CZ-CG2 3.81Å; L1522-I1537 HydrophobicContact CD1-CD1 3.84Å; L1522-I1537 HydrophobicContact CD2-CD1 3.73Å; L1522-I1537 HydrophobicContact CG-CD1 4.46Å; I1537-I1539 HydrophobicContact CG2-CG1 4.44Å; I1537-T1549 WeakPolarHBondContact O-CA 3.45Å; I1537-T1549 WeakPolarHBondContact O-CG2 3.34Å; I1537-F1550 HydrophobicContact CB-CB 4.31Å; I1537-F1550 PolarHBondContact N-O 3Å; I1537-F1550 PolarHBondContact O-N 3.41Å; I1537-I1552 HydrophobicContact CD1-CD1 3.51Å; I1537-I1552 HydrophobicContact CD1-CG1 4.22Å |
| 1538 | F | 91 | Very high | 81 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.009 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124.4 | 177.4 | -44 | -67.4 | 0 | 0 | 0 | 108.9 | V1352 P1458 E1496 N1498 Y1536 K1540 T1549 | V1352-F1538 HydrophobicContact CG1-CE1 4.04Å; V1352-F1538 HydrophobicContact CG1-CZ 3.73Å; P1458-F1538 HydrophobicContact CG-CE1 4.23Å; E1496-F1538 HydrophobicContact CB-CD2 4.04Å; E1496-F1538 PolarHBondContact N-O 2.98Å; E1496-F1538 VanDerWaalsContact N-O 3.08Å; E1496-F1538 PolarHBondContact O-N 3.18Å; N1498-F1538 HydrophobicContact CB-CE2 4.33Å; N1498-F1538 HydrophobicContact CB-CZ 4.25Å; Y1536-F1538 HydrophobicContact CG-CE1 4.37Å; F1538-K1540 HydrophobicContact CB-CG 4.16Å; F1538-T1549 HydrophobicContact CD1-CG2 3.76Å; F1538-T1549 HydrophobicContact CE1-CG2 4.08Å |
| 1539 | I | 90.7 | Very high | 82.4 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 102.1 | 173.4 | -57.9 | 169 | 0 | 0 | 0 | 106.4 | Y1483 L1493 L1495 I1520 I1537 L1547 E1548 F1550 | Y1483-I1539 HydrophobicContact CD2-CD1 3.66Å; Y1483-I1539 HydrophobicContact CE2-CD1 3.62Å; Y1483-I1539 HydrophobicContact CE2-CG2 4.38Å; L1493-I1539 HydrophobicContact CB-CG2 4.22Å; L1493-I1539 HydrophobicContact CD1-CG2 3.87Å; L1493-I1539 HydrophobicContact CD2-CG2 4.12Å; L1493-I1539 HydrophobicContact CG-CG2 4.31Å; L1495-I1539 HydrophobicContact CD2-CB 4.32Å; L1495-I1539 HydrophobicContact CD2-CG1 3.71Å; L1495-I1539 HydrophobicContact CD2-CG2 4.29Å; I1520-I1539 HydrophobicContact CD1-CD1 4.37Å; I1537-I1539 HydrophobicContact CG2-CG1 4.44Å; I1539-L1547 WeakPolarHBondContact O-CB 3.42Å; I1539-L1547 PolarHBondContact O-N 3.35Å; I1539-E1548 HydrophobicContact CB-CB 4.26Å; I1539-E1548 WeakPolarHBondContact CB-O 3.42Å; I1539-E1548 HydrophobicContact CD1-CB 4.07Å; I1539-E1548 PolarHBondContact N-O 2.96Å; I1539-E1548 PolarHBondContact O-N 3.1Å; I1539-F1550 HydrophobicContact CD1-CD1 4.28Å; I1539-F1550 HydrophobicContact CD1-CD2 4.09Å; I1539-F1550 HydrophobicContact CD1-CE1 3.84Å; I1539-F1550 HydrophobicContact CD1-CE2 3.66Å; I1539-F1550 HydrophobicContact CD1-CG 4.39Å; I1539-F1550 HydrophobicContact CD1-CZ 3.52Å |
| 1540 | K | 88 | Confident | 84 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 2% | 0.022 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 162 | -172.4 | -47.7 | -172.8 | -163.8 | -178.3 | 0 | 112.8 | G1353 L1493 I1494 E1496 F1538 K1545 | G1353-K1540 WeakPolarHBondContact O-CE 3.33Å; G1353-K1540 PolarHBondContact O-NZ 3.35Å; L1493-K1540 WeakPolarHBondContact CA-O 3.5Å; I1494-K1540 HydrophobicContact CB-CB 4.38Å; I1494-K1540 PolarHBondContact N-O 2.83Å; I1494-K1540 PolarHBondContact O-N 2.86Å; E1496-K1540 VanDerWaalsContact OE1-CE 3.22Å; E1496-K1540 WeakPolarHBondContact OE1-CE 3.42Å; E1496-K1540 IonicContact OE1-NZ 3.52Å; E1496-K1540 PolarHBondContact OE1-NZ 2.76Å; E1496-K1540 WeakPolarHBondContact OE2-CE 3.4Å; E1496-K1540 IonicContact OE2-NZ 3.54Å; E1496-K1540 PolarHBondContact OE2-NZ 2.84Å; F1538-K1540 HydrophobicContact CB-CG 4.16Å; K1540-K1545 VanDerWaalsContact CA-O 3.23Å; K1540-K1545 WeakPolarHBondContact CA-O 3.44Å |
| 1541 | D | 85.6 | Confident | 85.5 | Confident | 19 Ų | 19 | 40.8 Ų | 40.8 | 10% | 0.102 | 20% | 0.204 | C | C | . | . | trans | -93.5 | 178.2 | 165.7 | 61.7 | 19.3 | 0 | 0 | 0 | 113.8 | Q1399 K1491 Q1543 G1544 K1545 L1547 | Q1399-D1541 PolarHBondContact NE2-O 2.94Å; Q1399-D1541 VanDerWaalsContact NE2-O 3.16Å; K1491-D1541 IonicContact NZ-OD2 3.91Å; D1541-Q1543 PolarHBondContact O-N 2.89Å; D1541-Q1543 WeakPolarHBondContact OD1-CA 3.28Å; D1541-Q1543 PolarHBondContact OD1-N 2.98Å; D1541-G1544 PolarHBondContact O-N 3.19Å; D1541-G1544 PolarHBondContact OD1-N 2.97Å; D1541-K1545 PolarHBondContact N-O 3.44Å; D1541-K1545 VanDerWaalsContact N-O 3.11Å; D1541-K1545 WeakPolarHBondContact OD1-CB 3.34Å; D1541-K1545 PolarHBondContact OD1-N 2.96Å; D1541-L1547 HydrophobicContact CB-CD1 4.09Å; D1541-L1547 HydrophobicContact CB-CD2 4.18Å; D1541-L1547 HydrophobicContact CB-CG 4.23Å | ||
| 1542 | E | 79.5 | Confident | 86.7 | Confident | 119 Ų | 119 | 36.1 Ų | 36.1 | 56% | 0.556 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 6.6 | 173 | -57.6 | 175.4 | 169.5 | 0 | 0 | 114.2 | Q1399 T1492 | Q1399-E1542 VanDerWaalsContact NE2-C 3.34Å; Q1399-E1542 PolarHBondContact OE1-O 2.93Å; T1492-E1542 WeakPolarHBondContact CB-OE1 3.29Å; T1492-E1542 PolarHBondContact OG1-OE1 2.87Å |
| 1543 | Q | 74.1 | Confident | 87.2 | Confident | 159 Ų | 159 | 35.4 Ų | 35.4 | 74% | 0.743 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117.7 | -0.8 | 171.6 | -60 | -171.9 | -3.8 | 0 | 0 | 112.7 | D1541 K1545 | D1541-Q1543 PolarHBondContact O-N 2.89Å; D1541-Q1543 WeakPolarHBondContact OD1-CA 3.28Å; D1541-Q1543 PolarHBondContact OD1-N 2.98Å; Q1543-K1545 VanDerWaalsContact C-N 3.34Å |
| 1544 | G | 76.1 | Confident | 87.5 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 5% | 0.052 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 79.4 | 17.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1355 D1541 | L1355-G1544 PolarHBondContact N-O 3Å; D1541-G1544 PolarHBondContact O-N 3.19Å; D1541-G1544 PolarHBondContact OD1-N 2.97Å |
| 1545 | K | 84.4 | Confident | 87.4 | Confident | 117 Ų | 117 | 32.9 Ų | 32.9 | 51% | 0.509 | 16% | 0.157 | S | C | . | . | trans | -89.2 | 132.5 | 174.7 | -172.3 | -176 | 174.6 | -175.2 | 0 | 110 | K1540 D1541 Q1543 L1547 | K1540-K1545 VanDerWaalsContact CA-O 3.23Å; K1540-K1545 WeakPolarHBondContact CA-O 3.44Å; D1541-K1545 PolarHBondContact N-O 3.44Å; D1541-K1545 VanDerWaalsContact N-O 3.11Å; D1541-K1545 WeakPolarHBondContact OD1-CB 3.34Å; D1541-K1545 PolarHBondContact OD1-N 2.96Å; Q1543-K1545 VanDerWaalsContact C-N 3.34Å; K1545-L1547 PolarHBondContact O-N 3.21Å | ||
| 1546 | N | 86.5 | Confident | 86.8 | Confident | 19 Ų | 19 | 33.2 Ų | 33.2 | 10% | 0.102 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 124.9 | 171.2 | -63 | -0.4 | 0 | 0 | 0 | 109.3 | V1352 G1353 | V1352-N1546 PolarHBondContact O-ND2 2.98Å; G1353-N1546 PolarHBondContact O-OD1 2.84Å |
| 1547 | L | 87.4 | Confident | 85.8 | Confident | 37 Ų | 37 | 36.9 Ų | 36.9 | 19% | 0.194 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -43.3 | 171.2 | -56.7 | 178.4 | 0 | 0 | 0 | 110.7 | Y1487 K1491 L1493 I1539 D1541 K1545 | Y1487-L1547 HydrophobicContact CE2-CD1 4.22Å; K1491-L1547 HydrophobicContact CD-CD1 4.2Å; L1493-L1547 HydrophobicContact CD2-CD1 3.63Å; I1539-L1547 WeakPolarHBondContact O-CB 3.42Å; I1539-L1547 PolarHBondContact O-N 3.35Å; D1541-L1547 HydrophobicContact CB-CD1 4.09Å; D1541-L1547 HydrophobicContact CB-CD2 4.18Å; D1541-L1547 HydrophobicContact CB-CG 4.23Å; K1545-L1547 PolarHBondContact O-N 3.21Å |
| 1548 | E | 89.8 | Confident | 85.5 | Confident | 25 Ų | 25 | 38.7 Ų | 38.7 | 12% | 0.117 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 146.2 | 174.5 | -75.1 | -175.3 | -113.8 | 0 | 0 | 109.3 | T1461 K1462 Y1483 I1539 F1550 | T1461-E1548 HydrophobicContact CG2-CB 4.19Å; T1461-E1548 HydrophobicContact CG2-CG 4.09Å; T1461-E1548 WeakPolarHBondContact OG1-CB 3.06Å; K1462-E1548 IonicContact NZ-OE2 2.99Å; K1462-E1548 PolarHBondContact NZ-OE2 2.84Å; Y1483-E1548 WeakPolarHBondContact CE2-OE1 3.48Å; Y1483-E1548 VanDerWaalsContact CZ-OE1 3.24Å; Y1483-E1548 PolarHBondContact OH-OE1 3.06Å; I1539-E1548 HydrophobicContact CB-CB 4.26Å; I1539-E1548 WeakPolarHBondContact CB-O 3.42Å; I1539-E1548 HydrophobicContact CD1-CB 4.07Å; I1539-E1548 PolarHBondContact N-O 2.96Å; I1539-E1548 PolarHBondContact O-N 3.1Å; E1548-F1550 HydrophobicContact CB-CE1 4.26Å; E1548-F1550 WeakPolarHBondContact OE2-CE1 3.15Å |
| 1549 | T | 91.9 | Very high | 85.2 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.025 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 129.8 | 169.2 | -36.4 | 0 | 0 | 0 | 0 | 109.7 | P1458 E1459 T1461 Y1536 I1537 F1538 | P1458-T1549 HydrophobicContact CB-CG2 4.23Å; P1458-T1549 HydrophobicContact CG-CG2 3.84Å; E1459-T1549 WeakPolarHBondContact O-CB 3.49Å; E1459-T1549 PolarHBondContact O-OG1 3.42Å; T1461-T1549 PolarHBondContact N-O 3.06Å; T1461-T1549 PolarHBondContact OG1-N 2.81Å; T1461-T1549 PolarHBondContact OG1-O 2.69Å; Y1536-T1549 HydrophobicContact CD1-CG2 4Å; I1537-T1549 WeakPolarHBondContact O-CA 3.45Å; I1537-T1549 WeakPolarHBondContact O-CG2 3.34Å; F1538-T1549 HydrophobicContact CD1-CG2 3.76Å; F1538-T1549 HydrophobicContact CE1-CG2 4.08Å |
| 1550 | F | 93.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 131.8 | 171.7 | -60.5 | -12.5 | 0 | 0 | 0 | 110 | K1462 F1464 I1481 Y1483 I1520 Y1536 I1537 I1539 E1548 | K1462-F1550 HydrophobicContact CB-CD1 3.66Å; K1462-F1550 HydrophobicContact CB-CE1 3.89Å; K1462-F1550 HydrophobicContact CB-CG 4.31Å; K1462-F1550 HydrophobicContact CD-CD1 4.25Å; K1462-F1550 HydrophobicContact CD-CE1 3.58Å; K1462-F1550 HydrophobicContact CD-CZ 3.81Å; K1462-F1550 HydrophobicContact CG-CD1 3.95Å; K1462-F1550 HydrophobicContact CG-CE1 3.65Å; K1462-F1550 HydrophobicContact CG-CZ 4.38Å; K1462-F1550 WeakPolarHBondContact O-CA 3.44Å; F1464-F1550 HydrophobicContact CD2-CB 4.42Å; F1464-F1550 HydrophobicContact CE2-CB 4.12Å; F1464-F1550 AromaticContact CE2-CD2 3.89Å; F1464-F1550 HydrophobicContact CE2-CD2 3.89Å; F1464-F1550 HydrophobicContact CE2-CE2 4.44Å; F1464-F1550 AromaticContact CE2-CG 3.95Å; F1464-F1550 HydrophobicContact CE2-CG 3.95Å; I1481-F1550 HydrophobicContact CD1-CD2 4.49Å; I1481-F1550 HydrophobicContact CG2-CD2 4.34Å; I1481-F1550 HydrophobicContact CG2-CE2 3.95Å; Y1483-F1550 HydrophobicContact CD2-CE2 4.26Å; Y1483-F1550 AromaticContact CD2-CZ 3.78Å; Y1483-F1550 HydrophobicContact CD2-CZ 3.78Å; Y1483-F1550 HydrophobicContact CE2-CZ 4.18Å; I1520-F1550 HydrophobicContact CD1-CE2 4.47Å; Y1536-F1550 WeakPolarHBondContact CA-O 3.5Å; I1537-F1550 HydrophobicContact CB-CB 4.31Å; I1537-F1550 PolarHBondContact N-O 3Å; I1537-F1550 PolarHBondContact O-N 3.41Å; I1539-F1550 HydrophobicContact CD1-CD1 4.28Å; I1539-F1550 HydrophobicContact CD1-CD2 4.09Å; I1539-F1550 HydrophobicContact CD1-CE1 3.84Å; I1539-F1550 HydrophobicContact CD1-CE2 3.66Å; I1539-F1550 HydrophobicContact CD1-CG 4.39Å; I1539-F1550 HydrophobicContact CD1-CZ 3.52Å; E1548-F1550 HydrophobicContact CB-CE1 4.26Å; E1548-F1550 WeakPolarHBondContact OE2-CE1 3.15Å |
| 1551 | L | 92.5 | Very high | 84.7 | Confident | 17 Ų | 17 | 45.1 Ų | 45.1 | 9% | 0.089 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.8 | 169.4 | 175 | 62.7 | 0 | 0 | 0 | 109.5 | I1460 K1462 S1463 F1464 Q1534 Y1536 I1553 | I1460-L1551 HydrophobicContact CD1-CB 4.28Å; I1460-L1551 HydrophobicContact CD1-CD2 4.03Å; I1460-L1551 HydrophobicContact CG1-CB 4.46Å; I1460-L1551 HydrophobicContact CG2-CB 3.8Å; K1462-L1551 PolarHBondContact O-N 3.45Å; S1463-L1551 CarbonylContact C-O 3.52Å; S1463-L1551 VanDerWaalsContact CA-O 3.25Å; S1463-L1551 WeakPolarHBondContact CA-O 3.36Å; F1464-L1551 PolarHBondContact N-O 3.03Å; Q1534-L1551 HydrophobicContact CB-CD1 4.11Å; Q1534-L1551 HydrophobicContact CG-CD1 4.45Å; Y1536-L1551 HydrophobicContact CD1-CD1 4.36Å; Y1536-L1551 HydrophobicContact CE1-CD1 4.08Å; L1551-I1553 HydrophobicContact CD2-CD1 4.37Å; L1551-I1553 HydrophobicContact CD2-CG1 4.24Å; L1551-I1553 HydrophobicContact CG-CG1 4.2Å |
| 1552 | I | 90.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 121.2 | 168 | -61.2 | -172 | 0 | 0 | 0 | 108.5 | F1464 I1466 I1481 L1522 F1524 I1535 I1537 A1554 | F1464-I1552 HydrophobicContact CB-CG1 4.41Å; F1464-I1552 WeakPolarHBondContact O-CA 3.39Å; I1466-I1552 HydrophobicContact CB-CG2 4.39Å; I1466-I1552 HydrophobicContact CD1-CD1 4.12Å; I1466-I1552 HydrophobicContact CD1-CG2 3.76Å; I1466-I1552 HydrophobicContact CG1-CG2 4.07Å; I1481-I1552 HydrophobicContact CD1-CD1 4.13Å; L1522-I1552 HydrophobicContact CD1-CD1 3.51Å; F1524-I1552 HydrophobicContact CE1-CG2 4.16Å; F1524-I1552 HydrophobicContact CZ-CD1 3.99Å; F1524-I1552 HydrophobicContact CZ-CG2 4.1Å; I1535-I1552 HydrophobicContact CB-CB 4.29Å; I1535-I1552 PolarHBondContact N-O 3.32Å; I1535-I1552 PolarHBondContact O-N 3.26Å; I1537-I1552 HydrophobicContact CD1-CD1 3.51Å; I1537-I1552 HydrophobicContact CD1-CG1 4.22Å; I1552-A1554 HydrophobicContact CG2-CB 4.36Å |
| 1553 | I | 90.7 | Very high | 85 | Confident | 59 Ų | 59 | 41.9 Ų | 41.9 | 30% | 0.303 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 100.4 | 168.5 | -59.1 | 179.6 | 0 | 0 | 0 | 106.2 | F1464 I1466 E1533 L1551 | F1464-I1553 PolarHBondContact O-N 3.44Å; I1466-I1553 PolarHBondContact N-O 3.27Å; E1533-I1553 WeakPolarHBondContact O-CA 3.46Å; L1551-I1553 HydrophobicContact CD2-CD1 4.37Å; L1551-I1553 HydrophobicContact CD2-CG1 4.24Å; L1551-I1553 HydrophobicContact CG-CG1 4.2Å |
| 1554 | A | 86.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 113.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | I1466 L1468 F1524 S1532 E1533 I1535 I1552 Y1556 | I1466-A1554 WeakPolarHBondContact O-CA 3.3Å; L1468-A1554 HydrophobicContact CD1-CB 3.87Å; F1524-A1554 HydrophobicContact CE1-CB 4.5Å; S1532-A1554 CarbonylContact C-O 3.58Å; S1532-A1554 WeakPolarHBondContact CA-O 3.19Å; E1533-A1554 HydrophobicContact CB-CB 4.37Å; E1533-A1554 PolarHBondContact N-O 3.49Å; E1533-A1554 PolarHBondContact O-N 3.3Å; I1535-A1554 HydrophobicContact CD1-CB 3.98Å; I1552-A1554 HydrophobicContact CG2-CB 4.36Å; A1554-Y1556 HydrophobicContact CB-CE2 4.38Å |
| 1555 | Q | 84.5 | Confident | 86.6 | Confident | 88 Ų | 88 | 35.8 Ų | 35.8 | 41% | 0.411 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 116 | -179.6 | -161.8 | 176.8 | 31.9 | 0 | 0 | 109.4 | I1466 K1467 L1468 D1531 C1557 | I1466-Q1555 PolarHBondContact O-N 3.33Å; K1467-Q1555 WeakPolarHBondContact CA-O 3.44Å; L1468-Q1555 PolarHBondContact N-O 2.68Å; D1531-Q1555 WeakPolarHBondContact O-CA 3.31Å; D1531-Q1555 WeakPolarHBondContact O-CG 3.49Å; Q1555-C1557 PolarHBondContact O-N 3.19Å |
| 1556 | Y | 77.2 | Confident | 86.7 | Confident | 6 Ų | 6 | 29 Ų | 29 | 2% | 0.024 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 103.9 | -178.7 | -64.9 | -90.7 | 0 | 0 | 0 | 110 | L1468 R1470 V1525 Q1527 V1530 D1531 E1533 A1554 | L1468-Y1556 HydrophobicContact CB-CD1 3.73Å; L1468-Y1556 HydrophobicContact CB-CE1 3.92Å; L1468-Y1556 HydrophobicContact CB-CG 4.41Å; L1468-Y1556 HydrophobicContact CD1-CD1 4.11Å; L1468-Y1556 HydrophobicContact CD1-CE1 3.52Å; L1468-Y1556 HydrophobicContact CD1-CE2 4.27Å; L1468-Y1556 HydrophobicContact CG-CE1 4.38Å; L1468-Y1556 CarbonylContact O-C 3.55Å; L1468-Y1556 WeakPolarHBondContact O-CA 3.33Å; R1470-Y1556 PolarHBondContact NE-O 3.5Å; V1525-Y1556 PolarHBondContact O-OH 3.16Å; Q1527-Y1556 HydrophobicContact CB-CD1 4.06Å; Q1527-Y1556 HydrophobicContact CB-CD2 4.29Å; Q1527-Y1556 HydrophobicContact CB-CE1 3.92Å; Q1527-Y1556 HydrophobicContact CB-CE2 4.17Å; Q1527-Y1556 HydrophobicContact CB-CG 4.25Å; Q1527-Y1556 HydrophobicContact CG-CE1 3.92Å; Q1527-Y1556 HydrophobicContact CG-CE2 3.99Å; V1530-Y1556 WeakPolarHBondContact O-CB 3.48Å; V1530-Y1556 WeakPolarHBondContact O-CD2 3.39Å; D1531-Y1556 PolarHBondContact O-N 2.67Å; E1533-Y1556 HydrophobicContact CG-CE2 4.36Å; A1554-Y1556 HydrophobicContact CB-CE2 4.38Å |
| 1557 | C | 70 | Confident | 86.8 | Confident | 92 Ų | 92 | 29.9 Ų | 29.9 | 62% | 0.622 | 16% | 0.162 | S | C | * | . | trans | -105.1 | 0 | -175.8 | -59 | 0 | 0 | 0 | 0 | 111.7 | L1468 P1469 R1470 Q1555 | L1468-C1557 PolarHBondContact O-N 2.68Å; P1469-C1557 CarbonylContact C-O 3.59Å; P1469-C1557 WeakPolarHBondContact CA-O 3.47Å; R1470-C1557 WeakPolarHBondContact CD-OXT 3.29Å; R1470-C1557 PolarHBondContact N-O 3.4Å; Q1555-C1557 PolarHBondContact O-N 3.19Å |
Retrieved 1,557 of 1,557 residues in 641.5 ms
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