| 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 | 30.6 | Very low | 29.3 | Very low | 245 Ų | 245 | 141.6 Ų | 141.6 | 100% | 1.207 | 85% | 0.845 | S | S | * | * | 0 | 166.2 | 0 | -66.1 | 176.5 | -177.4 | 0 | 0 | 108.2 | |||||
| 2 | A | 32.6 | Very low | 29.6 | Very low | 89 Ų | 89 | 141.2 Ų | 141.2 | 74% | 0.736 | 84% | 0.835 | S | S | * | * | trans | -72 | 177 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3 | T | 27.6 | Very low | 29.7 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 79% | 0.791 | 84% | 0.838 | S | S | * | * | cis | -158.1 | 148.1 | 36.3 | 46.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 4 | A | 25.3 | Very low | 30.5 | Very low | 99 Ų | 99 | 144.2 Ų | 144.2 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | 60 | 135.3 | 135.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 5 | S | 30.5 | Very low | 31.4 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -98 | 153.8 | 166.6 | -41.1 | 0 | 0 | 0 | 0 | 111.7 | ||
| 6 | P | 30.3 | Very low | 33 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 134.8 | 156.4 | 34.2 | -27.4 | 0 | 0 | 0 | 112.2 | ||
| 7 | R | 28.2 | Very low | 35.3 | Very low | 239 Ų | 239 | 134.9 Ų | 134.9 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 163.1 | 149.4 | -80.5 | 177.4 | 175.3 | 166.7 | -4.6 | 108.4 | ||
| 8 | S | 33.4 | Very low | 37.9 | Very low | 95 Ų | 95 | 131.2 Ų | 131.2 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | cis | -179.9 | 136.8 | -22.9 | 53 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 9 | D | 25 | Very low | 40.5 | Very low | 171 Ų | 171 | 131.2 Ų | 131.2 | 91% | 0.914 | 76% | 0.757 | S | S | * | * | trans | -138.3 | 145.2 | 169.7 | -95.6 | -51.8 | 0 | 0 | 0 | 111.3 | ||||
| 10 | T | 31 | Very low | 43 | Very low | 130 Ų | 130 | 124.6 Ų | 124.6 | 80% | 0.798 | 72% | 0.719 | S | S | * | * | trans | -110.3 | 138.3 | -164.6 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 11 | S | 28.5 | Very low | 45.2 | Very low | 116 Ų | 116 | 122.1 Ų | 122.1 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | trans | -129.5 | 126.3 | 159.9 | 56 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 12 | N | 32.9 | Very low | 48.2 | Very low | 136 Ų | 136 | 110.5 Ų | 110.5 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | trans | -80.7 | 130.8 | -175.1 | -79.9 | -16.9 | 0 | 0 | 0 | 111.8 | ||||
| 13 | N | 30.6 | Very low | 51.1 | Low | 163 Ų | 163 | 107.5 Ų | 107.5 | 87% | 0.872 | 62% | 0.616 | S | S | * | * | trans | -138.5 | 93.4 | 164.3 | -99.8 | -28.8 | 0 | 0 | 0 | 108.7 | ||||
| 14 | H | 40.2 | Very low | 54.2 | Low | 162 Ų | 162 | 101.3 Ų | 101.3 | 75% | 0.75 | 58% | 0.578 | S | S | * | * | trans | -108 | 107.2 | 178.6 | -79.3 | -64.3 | 0 | 0 | 0 | 111.6 | ||||
| 15 | S | 44.2 | Very low | 57.4 | Low | 112 Ų | 112 | 97.5 Ų | 97.5 | 78% | 0.783 | 55% | 0.546 | S | S | * | . | trans | -128.3 | 75.3 | 158.6 | 60.7 | 0 | 0 | 0 | 0 | 108.2 | R17 | S15-R17 PolarHBondContact O-N 3.43Š| ||
| 16 | G | 56.9 | Low | 60.3 | Low | 57 Ų | 57 | 93.2 Ų | 93.2 | 59% | 0.588 | 52% | 0.515 | S | S | * | . | trans | -72.5 | 54.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 17 | R | 72.1 | Confident | 63.2 | Low | 105 Ų | 105 | 87.3 Ų | 87.3 | 40% | 0.396 | 48% | 0.478 | S | S | . | . | trans | -92.6 | 133.8 | 167.9 | -82.3 | -179.2 | 161.5 | -167.4 | -7.5 | 110.3 | S15 D47 E49 V72 T73 | S15-R17 PolarHBondContact O-N 3.43Å; R17-D47 IonicContact CZ-OD2 2.94Å; R17-D47 IonicContact NE-OD2 2.85Å; R17-D47 IonicContact NH2-OD2 3.63Å; R17-D47 PolarHBondContact NH2-OD2 2.93Å; R17-E49 IonicContact CZ-OE1 2.81Å; R17-E49 IonicContact NH1-OE1 2.71Å; R17-E49 PolarHBondContact NH1-OE1 3.23Å; R17-E49 IonicContact NH2-OE1 3.96Å; R17-V72 CarbonylContact C-O 3.45Å; R17-V72 WeakPolarHBondContact CA-O 3.41Å; R17-T73 HydrophobicContact CG-CG2 3.82Å | ||
| 18 | L | 83.1 | Confident | 66.1 | Low | 69 Ų | 69 | 81.6 Ų | 81.6 | 36% | 0.361 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 160 | 177.1 | -60.8 | 171.8 | 0 | 0 | 0 | 108.8 | N71 V72 L142 I144 | L18-N71 CarbonylContact O-C 3.47Å; L18-N71 WeakPolarHBondContact O-CA 3.27Å; L18-V72 PolarHBondContact N-O 2.99Å; L18-V72 PolarHBondContact O-N 2.97Å; L18-L142 HydrophobicContact CB-CD1 3.49Å; L18-L142 VanDerWaalsContact CB-CD1 3.49Å; L18-L142 HydrophobicContact CD1-CD1 3.61Å; L18-L142 HydrophobicContact CG-CD1 4.18Å; L18-I144 HydrophobicContact CD1-CG1 4.48Å |
| 19 | Q | 87.1 | Confident | 68.6 | Low | 130 Ų | 130 | 78 Ų | 78 | 61% | 0.607 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 139.3 | 172.1 | -71.4 | -176.1 | -11.8 | 0 | 0 | 110.3 | T69 | Q19-T69 HydrophobicContact CB-CG2 4.4Å; Q19-T69 HydrophobicContact CG-CG2 4.47Å |
| 20 | L | 89.5 | Confident | 71 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 133.2 | 172.3 | 175.1 | 72.1 | 0 | 0 | 0 | 108.4 | V22 V70 V72 L78 L101 L112 L139 D140 L142 | L20-V22 HydrophobicContact CD2-CG2 3.76Å; L20-V22 HydrophobicContact CG-CG2 3.9Å; L20-V70 HydrophobicContact CB-CG2 4.2Å; L20-V70 HydrophobicContact CD2-CG2 4.48Å; L20-V70 PolarHBondContact N-O 3.26Å; L20-V70 PolarHBondContact O-N 2.87Å; L20-V72 HydrophobicContact CB-CG1 4.22Å; L20-V72 HydrophobicContact CB-CG2 3.73Å; L20-V72 HydrophobicContact CD2-CG1 4.26Å; L20-L78 HydrophobicContact CD2-CD1 4Å; L20-L101 HydrophobicContact CD2-CD1 4.02Å; L20-L101 HydrophobicContact CD2-CD2 3.8Å; L20-L112 HydrophobicContact CD1-CD1 4.3Å; L20-L139 HydrophobicContact CD1-CB 4.23Å; L20-L139 HydrophobicContact CD2-CD2 4.4Å; L20-D140 WeakPolarHBondContact CD1-O 3.42Å; L20-L142 HydrophobicContact CD1-CB 3.62Å; L20-L142 HydrophobicContact CD1-CD2 4.33Å |
| 21 | Q | 90.6 | Very high | 72.7 | Confident | 73 Ų | 73 | 73.3 Ų | 73.3 | 34% | 0.341 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 123.8 | 169.7 | -65.8 | -179.2 | -5.3 | 0 | 0 | 108.8 | Q67 D140 | Q21-Q67 HydrophobicContact CB-CG 4.15Å; Q21-D140 HydrophobicContact CB-CB 4.24Å; Q21-D140 WeakPolarHBondContact CB-O 3.35Å; Q21-D140 PolarHBondContact N-O 3.2Å; Q21-D140 PolarHBondContact O-N 3.12Å |
| 22 | V | 92.8 | Very high | 73.7 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 101.1 | -179.9 | -179.8 | 0 | 0 | 0 | 0 | 108 | L20 L68 V70 L78 F80 V138 L139 | L20-V22 HydrophobicContact CD2-CG2 3.76Å; L20-V22 HydrophobicContact CG-CG2 3.9Å; V22-L68 PolarHBondContact N-O 3.28Å; V22-L68 PolarHBondContact O-N 3.33Å; V22-V70 HydrophobicContact CG2-CG2 3.71Å; V22-L78 HydrophobicContact CG2-CD1 4.13Å; V22-F80 HydrophobicContact CG1-CE1 3.66Å; V22-F80 HydrophobicContact CG1-CZ 3.77Å; V22-V138 CarbonylContact C-O 3.59Å; V22-V138 WeakPolarHBondContact CA-O 3.26Å; V22-L139 HydrophobicContact CB-CD2 4.5Å; V22-L139 HydrophobicContact CG1-CD2 4.15Å; V22-L139 HydrophobicContact CG2-CD2 3.96Å |
| 23 | T | 93.5 | Very high | 74.3 | Confident | 26 Ų | 26 | 80 Ų | 80 | 16% | 0.16 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 116.9 | 174.7 | -56.4 | 0 | 0 | 0 | 0 | 109.8 | S25 E66 V137 V138 | T23-S25 PolarHBondContact O-N 2.81Å; T23-E66 CarbonylContact C-O 3.56Å; T23-E66 VanDerWaalsContact CA-O 3.3Å; T23-E66 WeakPolarHBondContact CA-O 3.41Å; T23-V137 CarbonylContact O-C 3.51Å; T23-V137 VanDerWaalsContact O-CA 3.26Å; T23-V137 WeakPolarHBondContact O-CA 3.42Å; T23-V138 PolarHBondContact N-O 2.8Å; T23-V138 PolarHBondContact O-N 2.92Å |
| 24 | V | 93.4 | Very high | 75.1 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 102.2 | 174.5 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | T42 V44 T53 W64 D65 E66 L68 F80 L135 | V24-T42 HydrophobicContact CG1-CG2 4.14Å; V24-V44 HydrophobicContact CG2-CG2 4.03Å; V24-T53 HydrophobicContact CB-CG2 3.81Å; V24-T53 HydrophobicContact CG1-CG2 4.05Å; V24-T53 HydrophobicContact CG2-CG2 4.05Å; V24-W64 HydrophobicContact CG1-CD2 4.5Å; V24-W64 HydrophobicContact CG1-CE3 3.82Å; V24-W64 HydrophobicContact CG1-CZ3 4.12Å; V24-D65 PolarHBondContact O-N 3.34Å; V24-E66 PolarHBondContact N-O 2.89Å; V24-E66 PolarHBondContact O-N 3.34Å; V24-L68 HydrophobicContact CG2-CD1 4.18Å; V24-F80 HydrophobicContact CG2-CE1 4.48Å; V24-L135 HydrophobicContact CG1-CD1 4.09Å |
| 25 | S | 91.3 | Very high | 75.2 | Confident | 19 Ų | 19 | 77 Ų | 77 | 13% | 0.133 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -64.6 | -174.9 | -80.7 | 0 | 0 | 0 | 0 | 112.9 | T23 K63 W64 D65 T136 | T23-S25 PolarHBondContact O-N 2.81Å; S25-K63 WeakPolarHBondContact O-CA 3.49Å; S25-W64 PolarHBondContact O-N 2.93Å; S25-D65 VanDerWaalsContact CA-OD1 3.24Å; S25-D65 WeakPolarHBondContact CA-OD1 3.29Å; S25-D65 WeakPolarHBondContact CB-OD1 3.46Å; S25-D65 PolarHBondContact O-N 3.44Å; S25-D65 VanDerWaalsContact O-N 3.11Å; S25-D65 PolarHBondContact OG-OD1 2.9Å; S25-T136 PolarHBondContact N-O 3.29Å |
| 26 | S | 91.6 | Very high | 75.4 | Confident | 28 Ų | 28 | 74.5 Ų | 74.5 | 20% | 0.196 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 160.8 | -171.4 | 61.8 | 0 | 0 | 0 | 0 | 112.6 | P62 T136 | S26-P62 CarbonylContact C-O 3.5Å; S26-P62 VanDerWaalsContact CA-O 3.22Å; S26-P62 WeakPolarHBondContact CA-O 3.42Å; S26-P62 VanDerWaalsContact CB-O 3.26Å; S26-P62 WeakPolarHBondContact CB-O 3.36Å; S26-T136 PolarHBondContact N-O 2.78Å; S26-T136 PolarHBondContact O-N 3.37Å |
| 27 | A | 90.7 | Very high | 75 | Confident | 3 Ų | 3 | 76.1 Ų | 76.1 | 3% | 0.025 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 159.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L29 N61 P62 W64 L121 E134 L135 | A27-L29 HydrophobicContact CB-CD2 4.12Å; A27-L29 HydrophobicContact CB-CG 4.37Å; A27-N61 WeakPolarHBondContact O-CA 3.5Å; A27-P62 HydrophobicContact CB-CG 3.87Å; A27-P62 PolarHBondContact N-O 2.68Å; A27-P62 WeakPolarHBondContact O-CD 3.33Å; A27-W64 HydrophobicContact CB-CH2 4.12Å; A27-W64 HydrophobicContact CB-CZ3 4.07Å; A27-L121 HydrophobicContact CB-CD1 4.45Å; A27-E134 CarbonylContact C-O 3.53Å; A27-E134 WeakPolarHBondContact CA-O 3.08Å; A27-E134 WeakPolarHBondContact CB-O 3.33Å; A27-L135 HydrophobicContact CB-CD1 3.88Å |
| 28 | K | 89.8 | Confident | 74.7 | Confident | 119 Ų | 119 | 71.2 Ų | 71.2 | 52% | 0.517 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 112.5 | 169.1 | -67 | 175.5 | -177.8 | 168.7 | 0 | 108.1 | G133 E134 | K28-G133 CarbonylContact O-C 3.55Å; K28-G133 WeakPolarHBondContact O-CA 3.47Å; K28-E134 PolarHBondContact N-O 2.75Å; K28-E134 PolarHBondContact O-N 3.33Å |
| 29 | L | 86.7 | Confident | 74.5 | Confident | 19 Ų | 19 | 69.1 Ų | 69.1 | 10% | 0.099 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 130.4 | -170.9 | -56.1 | 177.1 | 0 | 0 | 0 | 110.9 | A27 R31 I40 S60 P62 V82 L94 L121 | A27-L29 HydrophobicContact CB-CD2 4.12Å; A27-L29 HydrophobicContact CB-CG 4.37Å; L29-R31 PolarHBondContact O-N 3.06Å; L29-I40 HydrophobicContact CD1-CD1 3.51Å; L29-I40 HydrophobicContact CD1-CG2 4.48Å; L29-S60 PolarHBondContact N-O 3.17Å; L29-P62 HydrophobicContact CD1-CG 4.39Å; L29-V82 HydrophobicContact CD1-CG1 4.47Å; L29-L94 HydrophobicContact CD1-CD1 3.73Å; L29-L121 HydrophobicContact CD2-CD1 3.57Å |
| 30 | K | 75.7 | Confident | 74.5 | Confident | 137 Ų | 137 | 62.9 Ų | 62.9 | 60% | 0.596 | 30% | 0.302 | S | S | * | . | trans | -78.3 | 48 | -178.6 | -63.8 | -179.6 | 175.6 | -175.4 | 0 | 111.8 | T132 | K30-T132 WeakPolarHBondContact CB-O 3.31Å; K30-T132 PolarHBondContact N-O 2.68Å | ||
| 31 | R | 65.5 | Low | 74.6 | Confident | 66 Ų | 66 | 63.6 Ų | 63.6 | 25% | 0.249 | 30% | 0.304 | C | S | . | . | trans | -98.8 | 133.1 | -175.8 | -157.5 | 177.9 | 178.6 | 168.2 | -0.2 | 110.2 | L29 K33 N34 S84 | L29-R31 PolarHBondContact O-N 3.06Å; R31-K33 PolarHBondContact O-N 2.89Å; R31-N34 PolarHBondContact NE-ND2 2.89Å; R31-N34 PolarHBondContact NE-OD1 3.22Å; R31-N34 PolarHBondContact NH2-OD1 3.05Å; R31-S84 PolarHBondContact NH1-OG 3.32Å | ||
| 32 | K | 50.6 | Low | 74.7 | Confident | 191 Ų | 191 | 60.1 Ų | 60.1 | 83% | 0.83 | 29% | 0.288 | S | S | * | . | trans | -58.5 | 138.3 | 160.9 | -80.5 | -174.3 | 177.7 | 179.3 | 0 | 108.1 | N34 | K32-N34 PolarHBondContact O-N 2.93Å; K32-N34 PolarHBondContact O-ND2 3.34Å | ||
| 33 | K | 44.1 | Very low | 74.8 | Confident | 200 Ų | 200 | 60.7 Ų | 60.7 | 87% | 0.87 | 29% | 0.291 | S | S | * | . | trans | -48.8 | 101.9 | -174.3 | -161.9 | -174.8 | -171.4 | -171.8 | 0 | 111.1 | R31 | R31-K33 PolarHBondContact O-N 2.89Š| ||
| 34 | N | 48.1 | Very low | 74.8 | Confident | 58 Ų | 58 | 59.5 Ų | 59.5 | 31% | 0.31 | 28% | 0.283 | S | S | . | . | trans | -86.2 | 136.8 | -178.3 | -97.8 | -125.1 | 0 | 0 | 0 | 109.6 | R31 K32 | R31-N34 PolarHBondContact NE-ND2 2.89Å; R31-N34 PolarHBondContact NE-OD1 3.22Å; R31-N34 PolarHBondContact NH2-OD1 3.05Å; K32-N34 PolarHBondContact O-N 2.93Å; K32-N34 PolarHBondContact O-ND2 3.34Å | ||
| 35 | W | 42.1 | Very low | 74.7 | Confident | 205 Ų | 205 | 60 Ų | 60 | 78% | 0.777 | 29% | 0.287 | S | S | * | . | trans | -85.3 | -29.9 | -168.1 | -163.9 | -86.4 | 0 | 0 | 0 | 113.6 | W709 | W35-W709 AromaticContact CD1-CD1 3.37Å; W35-W709 AromaticContact CD1-NE1 3.21Å; W35-W709 AromaticContact CG-NE1 3.87Å; W35-W709 AromaticContact NE1-CD1 3.71Å; W35-W709 AromaticContact NE1-NE1 3.78Å | ||
| 36 | F | 49 | Very low | 74.7 | Confident | 59 Ų | 59 | 59.2 Ų | 59.2 | 26% | 0.259 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -63.4 | 138.8 | 175.2 | -55.8 | -75.3 | 0 | 0 | 0 | 111.9 | T38 W709 L720 | F36-T38 HydrophobicContact CB-CG2 3.98Å; F36-T38 PolarHBondContact O-N 3.38Å; F36-T38 PolarHBondContact O-OG1 3.28Å; F36-W709 HydrophobicContact CD1-CD2 4.49Å; F36-W709 AromaticContact CE1-CD2 3.64Å; F36-W709 HydrophobicContact CE1-CD2 3.64Å; F36-W709 AromaticContact CE1-CE3 3.46Å; F36-W709 HydrophobicContact CE1-CE3 3.46Å; F36-W709 VanDerWaalsContact CE1-CE3 3.46Å; F36-W709 HydrophobicContact CE1-CG 4.32Å; F36-W709 HydrophobicContact CE1-CH2 4.25Å; F36-W709 HydrophobicContact CE1-CZ2 4.37Å; F36-W709 AromaticContact CE1-CZ3 3.81Å; F36-W709 HydrophobicContact CE1-CZ3 3.81Å; F36-W709 HydrophobicContact CE2-CH2 4.47Å; F36-W709 HydrophobicContact CZ-CD2 4.02Å; F36-W709 AromaticContact CZ-CE3 3.68Å; F36-W709 HydrophobicContact CZ-CE3 3.68Å; F36-W709 AromaticContact CZ-CH2 3.63Å; F36-W709 HydrophobicContact CZ-CH2 3.63Å; F36-W709 AromaticContact CZ-CZ2 3.92Å; F36-W709 HydrophobicContact CZ-CZ2 3.92Å; F36-W709 AromaticContact CZ-CZ3 3.5Å; F36-W709 HydrophobicContact CZ-CZ3 3.5Å; F36-L720 HydrophobicContact CE1-CD2 4.35Å; F36-L720 HydrophobicContact CZ-CD1 4.24Å; F36-L720 HydrophobicContact CZ-CD2 4.02Å |
| 37 | A | 48.9 | Very low | 74.1 | Confident | 91 Ų | 91 | 61.8 Ų | 61.8 | 75% | 0.752 | 29% | 0.293 | S | S | * | . | trans | -67.3 | 74.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A39 | A37-A39 PolarHBondContact O-N 2.87Š| ||
| 38 | T | 65.3 | Low | 73.1 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | trans | -93.6 | 98.9 | -175 | 33.4 | 0 | 0 | 0 | 0 | 109.3 | F36 I40 S84 R85 H86 | F36-T38 HydrophobicContact CB-CG2 3.98Å; F36-T38 PolarHBondContact O-N 3.38Å; F36-T38 PolarHBondContact O-OG1 3.28Å; T38-I40 PolarHBondContact O-N 3.43Å; T38-S84 WeakPolarHBondContact CB-OG 3.43Å; T38-S84 WeakPolarHBondContact CG2-OG 3.47Å; T38-R85 WeakPolarHBondContact CA-O 3.39Å; T38-H86 WeakPolarHBondContact CG2-CE1 3.18Å | ||
| 39 | A | 78.9 | Confident | 72.5 | Confident | 25 Ų | 25 | 63.5 Ų | 63.5 | 21% | 0.207 | 32% | 0.322 | C | S | . | . | trans | -75.3 | 121.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | A37 K55 S56 R85 | A37-A39 PolarHBondContact O-N 2.87Å; A39-K55 HydrophobicContact CB-CB 4.05Å; A39-S56 CarbonylContact C-O 3.39Å; A39-S56 WeakPolarHBondContact CA-O 3.06Å; A39-R85 HydrophobicContact CB-CB 4.39Å; A39-R85 WeakPolarHBondContact O-CB 3.31Å; A39-R85 PolarHBondContact O-N 3.2Å | ||
| 40 | I | 86.6 | Confident | 72.5 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 133.5 | -172.6 | -51.1 | -170.1 | 0 | 0 | 0 | 110.5 | L29 T38 S56 P62 W64 V82 W83 L94 | L29-I40 HydrophobicContact CD1-CD1 3.51Å; L29-I40 HydrophobicContact CD1-CG2 4.48Å; T38-I40 PolarHBondContact O-N 3.43Å; I40-S56 PolarHBondContact N-O 2.99Å; I40-S56 PolarHBondContact O-N 3.5Å; I40-P62 HydrophobicContact CB-CB 4.22Å; I40-P62 HydrophobicContact CB-CG 4.39Å; I40-P62 HydrophobicContact CD1-CG 4.4Å; I40-P62 HydrophobicContact CG2-CB 4.47Å; I40-P62 HydrophobicContact CG2-CG 4.2Å; I40-W64 HydrophobicContact CB-CZ2 4.38Å; I40-W64 HydrophobicContact CG2-CH2 4.34Å; I40-W64 HydrophobicContact CG2-CZ2 3.93Å; I40-W64 PolarHBondContact O-NE1 2.89Å; I40-W64 VanDerWaalsContact O-NE1 3.1Å; I40-V82 HydrophobicContact CG2-CG1 3.48Å; I40-V82 VanDerWaalsContact CG2-CG1 3.48Å; I40-W83 VanDerWaalsContact CA-O 3.27Å; I40-W83 WeakPolarHBondContact CA-O 3.18Å; I40-W83 VanDerWaalsContact CG2-O 3.28Å; I40-W83 WeakPolarHBondContact CG2-O 3.27Å; I40-L94 HydrophobicContact CD1-CD1 3.76Å; I40-L94 HydrophobicContact CG1-CD1 4.32Å; I40-L94 HydrophobicContact CG2-CD1 4.2Å |
| 41 | Y | 91.7 | Very high | 72.9 | Confident | 15 Ų | 15 | 62.1 Ų | 62.1 | 6% | 0.059 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 162.3 | 170.4 | 63 | -85.1 | 0 | 0 | 0 | 110.6 | E43 K52 T53 K55 W83 R85 D91 | Y41-E43 HydrophobicContact CD2-CG 4.2Å; Y41-E43 HydrophobicContact CE2-CG 3.87Å; Y41-K52 HydrophobicContact CD2-CB 4.49Å; Y41-K52 HydrophobicContact CD2-CD 4.29Å; Y41-K52 HydrophobicContact CE2-CD 3.95Å; Y41-T53 WeakPolarHBondContact CA-OG1 3.27Å; Y41-K55 HydrophobicContact CD1-CG 4.19Å; Y41-W83 HydrophobicContact CD1-CB 4.26Å; Y41-W83 HydrophobicContact CD2-CB 4.29Å; Y41-W83 HydrophobicContact CE1-CB 3.82Å; Y41-W83 HydrophobicContact CE2-CB 3.84Å; Y41-W83 AromaticContact CE2-CD1 3.9Å; Y41-W83 HydrophobicContact CE2-CG 4.02Å; Y41-W83 HydrophobicContact CG-CB 4.5Å; Y41-W83 PolarHBondContact N-O 3.25Å; Y41-W83 VanDerWaalsContact N-O 3.16Å; Y41-W83 PolarHBondContact O-N 3.31Å; Y41-R85 HydrophobicContact CE1-CB 4.35Å; Y41-D91 WeakPolarHBondContact CE1-OD2 3.22Å; Y41-D91 VanDerWaalsContact CZ-OD2 3.31Å; Y41-D91 PolarHBondContact OH-OD2 3.3Å |
| 42 | T | 93.2 | Very high | 74.1 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131.3 | 173.6 | -55.6 | 0 | 0 | 0 | 0 | 109 | V24 K52 T53 W64 F80 R81 V82 L135 | V24-T42 HydrophobicContact CG1-CG2 4.14Å; T42-K52 CarbonylContact O-C 3.53Å; T42-K52 WeakPolarHBondContact O-CA 3.35Å; T42-T53 PolarHBondContact N-OG1 2.75Å; T42-T53 PolarHBondContact O-N 3.31Å; T42-W64 WeakPolarHBondContact OG1-CH2 3.46Å; T42-F80 HydrophobicContact CG2-CD1 4.38Å; T42-R81 CarbonylContact C-O 3.49Å; T42-R81 WeakPolarHBondContact CA-O 3.46Å; T42-V82 HydrophobicContact CG2-CG2 4.2Å; T42-L135 HydrophobicContact CG2-CD2 4.11Å |
| 43 | E | 94.7 | Very high | 76 | Confident | 12 Ų | 12 | 55.6 Ų | 55.6 | 6% | 0.056 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 143.7 | 164.2 | -55.4 | -177.4 | 143.1 | 0 | 0 | 109.6 | Y41 I50 T51 K52 F80 R81 W83 | Y41-E43 HydrophobicContact CD2-CG 4.2Å; Y41-E43 HydrophobicContact CE2-CG 3.87Å; E43-I50 HydrophobicContact CB-CG2 4.11Å; E43-I50 HydrophobicContact CG-CG2 4.4Å; E43-T51 CarbonylContact C-O 3.59Å; E43-T51 VanDerWaalsContact CA-O 3.27Å; E43-T51 WeakPolarHBondContact CA-O 3.43Å; E43-K52 HydrophobicContact CG-CD 4.01Å; E43-K52 HydrophobicContact CG-CG 4.04Å; E43-K52 WeakPolarHBondContact OE1-CE 3.27Å; E43-K52 IonicContact OE1-NZ 3.31Å; E43-K52 PolarHBondContact OE1-NZ 2.86Å; E43-F80 WeakPolarHBondContact O-CA 3.45Å; E43-R81 HydrophobicContact CB-CB 4.26Å; E43-R81 PolarHBondContact N-O 2.73Å; E43-R81 PolarHBondContact O-N 2.88Å; E43-R81 IonicContact OE2-NH1 3.97Å; E43-W83 PolarHBondContact OE2-NE1 3.41Å |
| 44 | V | 93.8 | Very high | 78 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 111.4 | 167.3 | -169.2 | 0 | 0 | 0 | 0 | 107.1 | V24 V46 T51 L68 F80 | V24-V44 HydrophobicContact CG2-CG2 4.03Å; V44-V46 HydrophobicContact CG1-CG2 3.98Å; V44-T51 PolarHBondContact N-O 2.77Å; V44-T51 PolarHBondContact O-N 2.78Å; V44-T51 PolarHBondContact O-OG1 3.2Å; V44-L68 HydrophobicContact CB-CD1 4.47Å; V44-L68 HydrophobicContact CG2-CD1 3.72Å; V44-F80 HydrophobicContact CB-CD1 4.47Å; V44-F80 HydrophobicContact CB-CE1 4.39Å; V44-F80 HydrophobicContact CG1-CD1 4.23Å; V44-F80 HydrophobicContact CG1-CE1 3.85Å; V44-F80 HydrophobicContact CG1-CZ 4.19Å; V44-F80 HydrophobicContact CG2-CD1 3.73Å; V44-F80 HydrophobicContact CG2-CE1 3.66Å |
| 45 | A | 91.2 | Very high | 79.8 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 8% | 0.083 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 132.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | E49 I50 E79 | A45-E49 CarbonylContact C-O 3.57Å; A45-E49 VanDerWaalsContact CA-O 3.31Å; A45-E49 WeakPolarHBondContact CA-O 3.25Å; A45-I50 HydrophobicContact CB-CG1 4.07Å; A45-E79 HydrophobicContact CB-CB 4.33Å; A45-E79 PolarHBondContact N-O 2.58Å; A45-E79 PolarHBondContact O-N 3.05Å |
| 46 | V | 89.9 | Confident | 81.7 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 108.4 | -167.8 | -173.9 | 0 | 0 | 0 | 0 | 108.6 | V44 G48 E49 V70 N71 V72 T76 L78 | V44-V46 HydrophobicContact CG1-CG2 3.98Å; V46-G48 PolarHBondContact O-N 3.01Å; V46-E49 PolarHBondContact N-O 3.31Å; V46-E49 WeakPolarHBondContact O-CB 3.33Å; V46-E49 PolarHBondContact O-N 2.92Å; V46-V70 HydrophobicContact CG1-CB 4.43Å; V46-V70 HydrophobicContact CG2-CB 3.96Å; V46-V70 HydrophobicContact CG2-CG1 3.86Å; V46-V70 HydrophobicContact CG2-CG2 4.26Å; V46-N71 WeakPolarHBondContact CG1-O 3.38Å; V46-V72 HydrophobicContact CG1-CG1 3.78Å; V46-T76 HydrophobicContact CG1-CG2 3.54Å; V46-L78 HydrophobicContact CB-CD2 4.4Å; V46-L78 HydrophobicContact CG1-CD2 4.03Å; V46-L78 HydrophobicContact CG2-CD2 3.55Å |
| 47 | D | 79.6 | Confident | 82.8 | Confident | 82 Ų | 82 | 45.6 Ų | 45.6 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 24.5 | -176.9 | -60.8 | -11.2 | 0 | 0 | 0 | 115.1 | R17 T76 | R17-D47 IonicContact CZ-OD2 2.94Å; R17-D47 IonicContact NE-OD2 2.85Å; R17-D47 IonicContact NH2-OD2 3.63Å; R17-D47 PolarHBondContact NH2-OD2 2.93Å; D47-T76 WeakPolarHBondContact OD1-CB 3.38Å; D47-T76 WeakPolarHBondContact OD1-CG2 3.31Å; D47-T76 PolarHBondContact OD1-OG1 3.3Å; D47-T76 PolarHBondContact OD2-OG1 3.49Å |
| 48 | G | 68.9 | Low | 84 | Confident | 72 Ų | 72 | 43.4 Ų | 43.4 | 74% | 0.742 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.5 | -10.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116 | V46 | V46-G48 PolarHBondContact O-N 3.01Š|
| 49 | E | 77.4 | Confident | 84.3 | Confident | 85 Ų | 85 | 44.6 Ų | 44.6 | 40% | 0.397 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 144.7 | 162.9 | -72 | 164.5 | -134.6 | 0 | 0 | 109.3 | R17 A45 V46 N71 | R17-E49 IonicContact CZ-OE1 2.81Å; R17-E49 IonicContact NH1-OE1 2.71Å; R17-E49 PolarHBondContact NH1-OE1 3.23Å; R17-E49 IonicContact NH2-OE1 3.96Å; A45-E49 CarbonylContact C-O 3.57Å; A45-E49 VanDerWaalsContact CA-O 3.31Å; A45-E49 WeakPolarHBondContact CA-O 3.25Å; V46-E49 PolarHBondContact N-O 3.31Å; V46-E49 WeakPolarHBondContact O-CB 3.33Å; V46-E49 PolarHBondContact O-N 2.92Å; E49-N71 PolarHBondContact OE2-ND2 2.73Å |
| 50 | I | 87.3 | Confident | 84.2 | Confident | 86 Ų | 86 | 45.4 Ų | 45.4 | 44% | 0.441 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 124.5 | 179.5 | -57.8 | 177.5 | 0 | 0 | 0 | 109.4 | E43 A45 K52 | E43-I50 HydrophobicContact CB-CG2 4.11Å; E43-I50 HydrophobicContact CG-CG2 4.4Å; A45-I50 HydrophobicContact CB-CG1 4.07Å; I50-K52 HydrophobicContact CG2-CG 4.44Å |
| 51 | T | 85.3 | Confident | 84.1 | Confident | 42 Ų | 42 | 49.7 Ų | 49.7 | 26% | 0.258 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 157.1 | 167.2 | 58.5 | 0 | 0 | 0 | 0 | 109.9 | E43 V44 V70 | E43-T51 CarbonylContact C-O 3.59Å; E43-T51 VanDerWaalsContact CA-O 3.27Å; E43-T51 WeakPolarHBondContact CA-O 3.43Å; V44-T51 PolarHBondContact N-O 2.77Å; V44-T51 PolarHBondContact O-N 2.78Å; V44-T51 PolarHBondContact O-OG1 3.2Å; T51-V70 HydrophobicContact CG2-CG1 4.29Å |
| 52 | K | 90.4 | Very high | 83.9 | Confident | 110 Ų | 110 | 49 Ų | 49 | 48% | 0.478 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 144 | -177.7 | -43.8 | -161.9 | -173.7 | -153.5 | 0 | 110.8 | Y41 T42 E43 I50 | Y41-K52 HydrophobicContact CD2-CB 4.49Å; Y41-K52 HydrophobicContact CD2-CD 4.29Å; Y41-K52 HydrophobicContact CE2-CD 3.95Å; T42-K52 CarbonylContact O-C 3.53Å; T42-K52 WeakPolarHBondContact O-CA 3.35Å; E43-K52 HydrophobicContact CG-CD 4.01Å; E43-K52 HydrophobicContact CG-CG 4.04Å; E43-K52 WeakPolarHBondContact OE1-CE 3.27Å; E43-K52 IonicContact OE1-NZ 3.31Å; E43-K52 PolarHBondContact OE1-NZ 2.86Å; I50-K52 HydrophobicContact CG2-CG 4.44Å |
| 53 | T | 90.4 | Very high | 83.6 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 6% | 0.061 | 32% | 0.324 | C | S | . | . | trans | -72.9 | 164 | 168.1 | 67.4 | 0 | 0 | 0 | 0 | 111.5 | V24 Y41 T42 W64 E66 L68 | V24-T53 HydrophobicContact CB-CG2 3.81Å; V24-T53 HydrophobicContact CG1-CG2 4.05Å; V24-T53 HydrophobicContact CG2-CG2 4.05Å; Y41-T53 WeakPolarHBondContact CA-OG1 3.27Å; T42-T53 PolarHBondContact N-OG1 2.75Å; T42-T53 PolarHBondContact O-N 3.31Å; T53-W64 HydrophobicContact CG2-CB 4.43Å; T53-W64 HydrophobicContact CG2-CG 4.24Å; T53-W64 PolarHBondContact OG1-NE1 3.27Å; T53-E66 WeakPolarHBondContact CA-OE2 3.47Å; T53-E66 VanDerWaalsContact CB-OE2 3.28Å; T53-E66 WeakPolarHBondContact CB-OE2 3.41Å; T53-L68 HydrophobicContact CG2-CD1 4.17Å | ||
| 54 | A | 85.3 | Confident | 83.4 | Confident | 57 Ų | 57 | 56.6 Ų | 56.6 | 47% | 0.471 | 33% | 0.327 | S | S | . | . | trans | -54 | 166.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | W64 E66 | A54-W64 PolarHBondContact O-NE1 3.08Å; A54-E66 WeakPolarHBondContact CB-OE2 3.42Å; A54-E66 VanDerWaalsContact N-CD 3.35Å; A54-E66 PolarHBondContact N-OE1 2.98Å; A54-E66 VanDerWaalsContact N-OE1 3.16Å; A54-E66 PolarHBondContact N-OE2 2.98Å | ||
| 55 | K | 85.7 | Confident | 83.1 | Confident | 121 Ų | 121 | 61.2 Ų | 61.2 | 53% | 0.526 | 35% | 0.351 | S | S | . | . | trans | -97.8 | 115.1 | -173.9 | -68 | 167.5 | 179.1 | 171.9 | 0 | 110.4 | A39 Y41 | A39-K55 HydrophobicContact CB-CB 4.05Å; Y41-K55 HydrophobicContact CD1-CG 4.19Å | ||
| 56 | S | 81.4 | Confident | 83 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 13% | 0.133 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -96 | 131.2 | -177.2 | -163.1 | 0 | 0 | 0 | 0 | 111 | A39 I40 S58 K63 | A39-S56 CarbonylContact C-O 3.39Å; A39-S56 WeakPolarHBondContact CA-O 3.06Å; I40-S56 PolarHBondContact N-O 2.99Å; I40-S56 PolarHBondContact O-N 3.5Å; S56-S58 VanDerWaalsContact C-N 3.3Å; S56-S58 PolarHBondContact O-N 2.89Å; S56-K63 WeakPolarHBondContact CB-O 3.39Å; S56-K63 PolarHBondContact OG-N 3.01Å; S56-K63 PolarHBondContact OG-O 2.89Å |
| 57 | S | 72.5 | Confident | 83.1 | Confident | 115 Ų | 115 | 67.8 Ų | 67.8 | 80% | 0.804 | 38% | 0.38 | S | S | * | . | trans | -80.1 | -2.5 | -174.2 | 54.6 | 0 | 0 | 0 | 0 | 115.2 | S59 | S57-S59 PolarHBondContact O-N 3.5Š| ||
| 58 | S | 75.5 | Confident | 83.5 | Confident | 44 Ų | 44 | 64.7 Ų | 64.7 | 31% | 0.308 | 36% | 0.364 | S | S | . | . | trans | -88.5 | 105.3 | -179 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | S56 S60 N61 P62 | S56-S58 VanDerWaalsContact C-N 3.3Å; S56-S58 PolarHBondContact O-N 2.89Å; S58-S60 PolarHBondContact O-N 2.77Å; S58-N61 WeakPolarHBondContact CB-O 3.42Å; S58-N61 PolarHBondContact OG-N 2.9Å; S58-N61 PolarHBondContact OG-O 3.49Å; S58-P62 WeakPolarHBondContact O-CD 3.31Å | ||
| 59 | S | 70.3 | Confident | 84.5 | Confident | 27 Ų | 27 | 64.7 Ų | 64.7 | 19% | 0.189 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -72.5 | 4.8 | -172.7 | 63.2 | 0 | 0 | 0 | 0 | 116.2 | S57 | S57-S59 PolarHBondContact O-N 3.5Š|
| 60 | S | 77.1 | Confident | 85 | Confident | 42 Ų | 42 | 60.9 Ų | 60.9 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -142.6 | -34.1 | -176.7 | 59.7 | 0 | 0 | 0 | 0 | 114.2 | L29 S58 P62 | L29-S60 PolarHBondContact N-O 3.17Å; S58-S60 PolarHBondContact O-N 2.77Å; S60-P62 VanDerWaalsContact C-CD 3.47Å |
| 61 | N | 85.5 | Confident | 85.1 | Confident | 91 Ų | 91 | 59.6 Ų | 59.6 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -132.2 | 63.3 | 178.8 | -66.7 | -98.3 | 0 | 0 | 0 | 108.9 | A27 S58 | A27-N61 WeakPolarHBondContact O-CA 3.5Å; S58-N61 WeakPolarHBondContact CB-O 3.42Å; S58-N61 PolarHBondContact OG-N 2.9Å; S58-N61 PolarHBondContact OG-O 3.49Å |
| 62 | P | 85.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -65.8 | 143.9 | 178 | 30.2 | -36.9 | 0 | 0 | 0 | 110.8 | S26 A27 L29 I40 S58 S60 W64 | S26-P62 CarbonylContact C-O 3.5Å; S26-P62 VanDerWaalsContact CA-O 3.22Å; S26-P62 WeakPolarHBondContact CA-O 3.42Å; S26-P62 VanDerWaalsContact CB-O 3.26Å; S26-P62 WeakPolarHBondContact CB-O 3.36Å; A27-P62 HydrophobicContact CB-CG 3.87Å; A27-P62 PolarHBondContact N-O 2.68Å; A27-P62 WeakPolarHBondContact O-CD 3.33Å; L29-P62 HydrophobicContact CD1-CG 4.39Å; I40-P62 HydrophobicContact CB-CB 4.22Å; I40-P62 HydrophobicContact CB-CG 4.39Å; I40-P62 HydrophobicContact CD1-CG 4.4Å; I40-P62 HydrophobicContact CG2-CB 4.47Å; I40-P62 HydrophobicContact CG2-CG 4.2Å; S58-P62 WeakPolarHBondContact O-CD 3.31Å; S60-P62 VanDerWaalsContact C-CD 3.47Å; P62-W64 HydrophobicContact CB-CH2 3.7Å; P62-W64 HydrophobicContact CB-CZ2 3.66Å; P62-W64 HydrophobicContact CB-CZ3 4.23Å; P62-W64 HydrophobicContact CG-CH2 3.47Å; P62-W64 VanDerWaalsContact CG-CH2 3.47Å; P62-W64 HydrophobicContact CG-CZ2 3.9Å; P62-W64 HydrophobicContact CG-CZ3 4.06Å | ||
| 63 | K | 87.4 | Confident | 84.9 | Confident | 140 Ų | 140 | 54 Ų | 54 | 61% | 0.609 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148.1 | 169.3 | -60.8 | -166.3 | 176.6 | -171.4 | 0 | 109.1 | S25 S56 | S25-K63 WeakPolarHBondContact O-CA 3.49Å; S56-K63 WeakPolarHBondContact CB-O 3.39Å; S56-K63 PolarHBondContact OG-N 3.01Å; S56-K63 PolarHBondContact OG-O 2.89Å |
| 64 | W | 90.6 | Very high | 84.4 | Confident | 32 Ų | 32 | 54.6 Ų | 54.6 | 12% | 0.121 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | -46.7 | 176.2 | -54.5 | -87.5 | 0 | 0 | 0 | 109.8 | V24 S25 A27 I40 T42 T53 A54 P62 E66 V82 L135 | V24-W64 HydrophobicContact CG1-CD2 4.5Å; V24-W64 HydrophobicContact CG1-CE3 3.82Å; V24-W64 HydrophobicContact CG1-CZ3 4.12Å; S25-W64 PolarHBondContact O-N 2.93Å; A27-W64 HydrophobicContact CB-CH2 4.12Å; A27-W64 HydrophobicContact CB-CZ3 4.07Å; I40-W64 HydrophobicContact CB-CZ2 4.38Å; I40-W64 HydrophobicContact CG2-CH2 4.34Å; I40-W64 HydrophobicContact CG2-CZ2 3.93Å; I40-W64 PolarHBondContact O-NE1 2.89Å; I40-W64 VanDerWaalsContact O-NE1 3.1Å; T42-W64 WeakPolarHBondContact OG1-CH2 3.46Å; T53-W64 HydrophobicContact CG2-CB 4.43Å; T53-W64 HydrophobicContact CG2-CG 4.24Å; T53-W64 PolarHBondContact OG1-NE1 3.27Å; A54-W64 PolarHBondContact O-NE1 3.08Å; P62-W64 HydrophobicContact CB-CH2 3.7Å; P62-W64 HydrophobicContact CB-CZ2 3.66Å; P62-W64 HydrophobicContact CB-CZ3 4.23Å; P62-W64 HydrophobicContact CG-CH2 3.47Å; P62-W64 VanDerWaalsContact CG-CH2 3.47Å; P62-W64 HydrophobicContact CG-CZ2 3.9Å; P62-W64 HydrophobicContact CG-CZ3 4.06Å; W64-E66 HydrophobicContact CB-CB 3.97Å; W64-E66 PolarHBondContact O-N 3.2Å; W64-V82 HydrophobicContact CH2-CG1 4.49Å; W64-L135 HydrophobicContact CZ3-CD1 4.06Å |
| 65 | D | 88.6 | Confident | 84.2 | Confident | 97 Ų | 97 | 57 Ų | 57 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.6 | 38.2 | -175.6 | -66.3 | -55.3 | 0 | 0 | 0 | 111.9 | V24 S25 | V24-D65 PolarHBondContact O-N 3.34Å; S25-D65 VanDerWaalsContact CA-OD1 3.24Å; S25-D65 WeakPolarHBondContact CA-OD1 3.29Å; S25-D65 WeakPolarHBondContact CB-OD1 3.46Å; S25-D65 PolarHBondContact O-N 3.44Å; S25-D65 VanDerWaalsContact O-N 3.11Å; S25-D65 PolarHBondContact OG-OD1 2.9Å |
| 66 | E | 89.2 | Confident | 84.4 | Confident | 54 Ų | 54 | 51.2 Ų | 51.2 | 25% | 0.252 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.9 | -166 | -177 | 177.2 | 171 | 0 | 0 | 110.9 | T23 V24 T53 A54 W64 | T23-E66 CarbonylContact C-O 3.56Å; T23-E66 VanDerWaalsContact CA-O 3.3Å; T23-E66 WeakPolarHBondContact CA-O 3.41Å; V24-E66 PolarHBondContact N-O 2.89Å; V24-E66 PolarHBondContact O-N 3.34Å; T53-E66 WeakPolarHBondContact CA-OE2 3.47Å; T53-E66 VanDerWaalsContact CB-OE2 3.28Å; T53-E66 WeakPolarHBondContact CB-OE2 3.41Å; A54-E66 WeakPolarHBondContact CB-OE2 3.42Å; A54-E66 VanDerWaalsContact N-CD 3.35Å; A54-E66 PolarHBondContact N-OE1 2.98Å; A54-E66 VanDerWaalsContact N-OE1 3.16Å; A54-E66 PolarHBondContact N-OE2 2.98Å; W64-E66 HydrophobicContact CB-CB 3.97Å; W64-E66 PolarHBondContact O-N 3.2Å |
| 67 | Q | 90.9 | Very high | 84.9 | Confident | 97 Ų | 97 | 53.4 Ų | 53.4 | 45% | 0.453 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 121 | -175.5 | -175.7 | 172.4 | 74.5 | 0 | 0 | 111.6 | Q21 | Q21-Q67 HydrophobicContact CB-CG 4.15Å |
| 68 | L | 89.2 | Confident | 85.8 | Confident | 18 Ų | 18 | 48 Ų | 48 | 9% | 0.094 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128 | 176.4 | -56.8 | 174.7 | 0 | 0 | 0 | 109.2 | V22 V24 V44 T53 | V22-L68 PolarHBondContact N-O 3.28Å; V22-L68 PolarHBondContact O-N 3.33Å; V24-L68 HydrophobicContact CG2-CD1 4.18Å; V44-L68 HydrophobicContact CB-CD1 4.47Å; V44-L68 HydrophobicContact CG2-CD1 3.72Å; T53-L68 HydrophobicContact CG2-CD1 4.17Å |
| 69 | T | 89.5 | Confident | 86.8 | Confident | 71 Ų | 71 | 47.7 Ų | 47.7 | 44% | 0.436 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 127.1 | 174.1 | -56.9 | 0 | 0 | 0 | 0 | 109.5 | Q19 | Q19-T69 HydrophobicContact CB-CG2 4.4Å; Q19-T69 HydrophobicContact CG-CG2 4.47Å |
| 70 | V | 88.5 | Confident | 88 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 147.4 | -178.8 | -66.5 | 0 | 0 | 0 | 0 | 111.5 | L20 V22 V46 T51 V72 L78 | L20-V70 HydrophobicContact CB-CG2 4.2Å; L20-V70 HydrophobicContact CD2-CG2 4.48Å; L20-V70 PolarHBondContact N-O 3.26Å; L20-V70 PolarHBondContact O-N 2.87Å; V22-V70 HydrophobicContact CG2-CG2 3.71Å; V46-V70 HydrophobicContact CG1-CB 4.43Å; V46-V70 HydrophobicContact CG2-CB 3.96Å; V46-V70 HydrophobicContact CG2-CG1 3.86Å; V46-V70 HydrophobicContact CG2-CG2 4.26Å; T51-V70 HydrophobicContact CG2-CG1 4.29Å; V70-V72 HydrophobicContact CG2-CG1 3.9Å; V70-L78 HydrophobicContact CG2-CD2 4.38Å |
| 71 | N | 87.6 | Confident | 88.8 | Confident | 59 Ų | 59 | 47.1 Ų | 47.1 | 32% | 0.316 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 118.7 | 177 | -54.1 | -67 | 0 | 0 | 0 | 109.3 | L18 V46 E49 | L18-N71 CarbonylContact O-C 3.47Å; L18-N71 WeakPolarHBondContact O-CA 3.27Å; V46-N71 WeakPolarHBondContact CG1-O 3.38Å; E49-N71 PolarHBondContact OE2-ND2 2.73Å |
| 72 | V | 87.7 | Confident | 89.1 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 155.3 | -170.6 | -63.5 | 0 | 0 | 0 | 0 | 111.7 | R17 L18 L20 V46 V70 T76 L78 L101 L142 | R17-V72 CarbonylContact C-O 3.45Å; R17-V72 WeakPolarHBondContact CA-O 3.41Å; L18-V72 PolarHBondContact N-O 2.99Å; L18-V72 PolarHBondContact O-N 2.97Å; L20-V72 HydrophobicContact CB-CG1 4.22Å; L20-V72 HydrophobicContact CB-CG2 3.73Å; L20-V72 HydrophobicContact CD2-CG1 4.26Å; V46-V72 HydrophobicContact CG1-CG1 3.78Å; V70-V72 HydrophobicContact CG2-CG1 3.9Å; V72-T76 HydrophobicContact CB-CG2 4.22Å; V72-T76 HydrophobicContact CG1-CG2 4.09Å; V72-L78 HydrophobicContact CG1-CD2 4.03Å; V72-L101 HydrophobicContact CB-CD1 3.66Å; V72-L101 HydrophobicContact CG1-CD1 3.63Å; V72-L101 HydrophobicContact CG2-CD1 4.04Å; V72-L142 HydrophobicContact CG2-CD1 4.09Å; V72-L142 HydrophobicContact CG2-CD2 4.1Å |
| 73 | T | 85.1 | Confident | 89.3 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 20% | 0.202 | 22% | 0.223 | C | C | . | . | trans | -103.5 | 163.9 | 161.4 | 69.3 | 0 | 0 | 0 | 0 | 110 | R17 Q75 T76 | R17-T73 HydrophobicContact CG-CG2 3.82Å; T73-Q75 PolarHBondContact O-N 3.41Å; T73-Q75 PolarHBondContact OG1-N 3Å; T73-T76 PolarHBondContact N-OG1 2.89Å; T73-T76 WeakPolarHBondContact O-CB 3.36Å; T73-T76 PolarHBondContact O-N 3.37Å; T73-T76 VanDerWaalsContact O-N 3.07Å; T73-T76 PolarHBondContact OG1-N 3.03Å; T73-T76 PolarHBondContact OG1-OG1 2.95Å | ||
| 74 | P | 79.3 | Confident | 89.1 | Confident | 23 Ų | 23 | 38.7 Ų | 38.7 | 15% | 0.149 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -7.1 | 171 | -25.8 | 36.6 | 0 | 0 | 0 | 115.6 | K102 I144 I149 | P74-K102 WeakPolarHBondContact O-CA 3.36Å; P74-K102 WeakPolarHBondContact O-CB 3.43Å; P74-K102 PolarHBondContact O-N 3.37Å; P74-I144 HydrophobicContact CB-CD1 3.53Å; P74-I144 HydrophobicContact CG-CD1 3.53Å; P74-I149 HydrophobicContact CB-CD1 4.46Å |
| 75 | Q | 81.7 | Confident | 88.6 | Confident | 107 Ų | 107 | 41.9 Ų | 41.9 | 50% | 0.5 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 3.9 | -179.8 | -57.7 | 81.8 | 6.6 | 0 | 0 | 112.6 | T73 | T73-Q75 PolarHBondContact O-N 3.41Å; T73-Q75 PolarHBondContact OG1-N 3Å |
| 76 | T | 89.3 | Confident | 87.6 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -75.3 | 134 | -178.4 | -72.1 | 0 | 0 | 0 | 0 | 110.8 | V46 D47 V72 T73 L101 | V46-T76 HydrophobicContact CG1-CG2 3.54Å; D47-T76 WeakPolarHBondContact OD1-CB 3.38Å; D47-T76 WeakPolarHBondContact OD1-CG2 3.31Å; D47-T76 PolarHBondContact OD1-OG1 3.3Å; D47-T76 PolarHBondContact OD2-OG1 3.49Å; V72-T76 HydrophobicContact CB-CG2 4.22Å; V72-T76 HydrophobicContact CG1-CG2 4.09Å; T73-T76 PolarHBondContact N-OG1 2.89Å; T73-T76 WeakPolarHBondContact O-CB 3.36Å; T73-T76 PolarHBondContact O-N 3.37Å; T73-T76 VanDerWaalsContact O-N 3.07Å; T73-T76 PolarHBondContact OG1-N 3.03Å; T73-T76 PolarHBondContact OG1-OG1 2.95Å; T76-L101 HydrophobicContact CG2-CD1 4.35Å; T76-L101 VanDerWaalsContact O-CB 3.29Å; T76-L101 WeakPolarHBondContact O-CB 3.38Å; T76-L101 WeakPolarHBondContact O-CG 3.13Å; T76-L101 PolarHBondContact O-N 3.33Å; T76-L101 VanDerWaalsContact O-N 3.15Å |
| 77 | T | 91.6 | Very high | 85.9 | Confident | 65 Ų | 65 | 39.1 Ų | 39.1 | 40% | 0.399 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 128.3 | 168.7 | -61.1 | 0 | 0 | 0 | 0 | 109.7 | T98 I99 | T77-T98 HydrophobicContact CG2-CG2 4.08Å; T77-I99 CarbonylContact C-O 3.59Å; T77-I99 WeakPolarHBondContact CA-O 3.2Å |
| 78 | L | 92.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 124.9 | 169.8 | -54.9 | 179 | 0 | 0 | 0 | 109.1 | L20 V22 V46 V70 V72 F80 T98 I99 L101 L139 | L20-L78 HydrophobicContact CD2-CD1 4Å; V22-L78 HydrophobicContact CG2-CD1 4.13Å; V46-L78 HydrophobicContact CB-CD2 4.4Å; V46-L78 HydrophobicContact CG1-CD2 4.03Å; V46-L78 HydrophobicContact CG2-CD2 3.55Å; V70-L78 HydrophobicContact CG2-CD2 4.38Å; V72-L78 HydrophobicContact CG1-CD2 4.03Å; L78-F80 HydrophobicContact CB-CD2 4.4Å; L78-F80 HydrophobicContact CB-CE2 3.67Å; L78-F80 HydrophobicContact CB-CZ 4.17Å; L78-F80 HydrophobicContact CD1-CE2 4.15Å; L78-F80 HydrophobicContact CD1-CZ 4.01Å; L78-T98 CarbonylContact O-C 3.59Å; L78-T98 WeakPolarHBondContact O-CA 3.41Å; L78-I99 HydrophobicContact CB-CB 4.43Å; L78-I99 PolarHBondContact N-O 3.02Å; L78-I99 PolarHBondContact O-N 3.06Å; L78-L101 HydrophobicContact CD1-CD2 3.93Å; L78-L101 HydrophobicContact CD1-CG 4.39Å; L78-L101 HydrophobicContact CD2-CD1 4.15Å; L78-L101 HydrophobicContact CG-CD1 4.15Å; L78-L101 HydrophobicContact CG-CD2 4.22Å; L78-L101 HydrophobicContact CG-CG 4.13Å; L78-L139 HydrophobicContact CD1-CD2 4Å |
| 79 | E | 94.9 | Very high | 82.6 | Confident | 39 Ų | 39 | 40.7 Ų | 40.7 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 116.1 | 170 | -170.8 | -163 | 165.3 | 0 | 0 | 110.5 | A45 R81 K96 T98 | A45-E79 HydrophobicContact CB-CB 4.33Å; A45-E79 PolarHBondContact N-O 2.58Å; A45-E79 PolarHBondContact O-N 3.05Å; E79-R81 HydrophobicContact CG-CG 4.3Å; E79-R81 IonicContact OE1-CZ 2.76Å; E79-R81 IonicContact OE1-NE 3.68Å; E79-R81 PolarHBondContact OE1-NE 3.34Å; E79-R81 IonicContact OE1-NH2 3.65Å; E79-R81 PolarHBondContact OE1-NH2 3.41Å; E79-R81 IonicContact OE2-CZ 2.72Å; E79-R81 IonicContact OE2-NE 2.65Å; E79-R81 PolarHBondContact OE2-NE 3.18Å; E79-R81 IonicContact OE2-NH2 2.83Å; E79-R81 PolarHBondContact OE2-NH2 2.79Å; E79-K96 VanDerWaalsContact OE1-CD 3.26Å; E79-K96 WeakPolarHBondContact OE1-CD 3.43Å; E79-K96 WeakPolarHBondContact OE1-CE 3.46Å; E79-K96 IonicContact OE1-NZ 2.76Å; E79-K96 PolarHBondContact OE1-NZ 3.06Å; E79-T98 HydrophobicContact CB-CG2 4.21Å; E79-T98 HydrophobicContact CG-CG2 4.1Å |
| 80 | F | 95.2 | Very high | 81.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 128.6 | 175.2 | -63 | -92.1 | 0 | 0 | 0 | 110 | V22 V24 T42 E43 V44 L78 K96 A97 I99 L119 L135 V137 | V22-F80 HydrophobicContact CG1-CE1 3.66Å; V22-F80 HydrophobicContact CG1-CZ 3.77Å; V24-F80 HydrophobicContact CG2-CE1 4.48Å; T42-F80 HydrophobicContact CG2-CD1 4.38Å; E43-F80 WeakPolarHBondContact O-CA 3.45Å; V44-F80 HydrophobicContact CB-CD1 4.47Å; V44-F80 HydrophobicContact CB-CE1 4.39Å; V44-F80 HydrophobicContact CG1-CD1 4.23Å; V44-F80 HydrophobicContact CG1-CE1 3.85Å; V44-F80 HydrophobicContact CG1-CZ 4.19Å; V44-F80 HydrophobicContact CG2-CD1 3.73Å; V44-F80 HydrophobicContact CG2-CE1 3.66Å; L78-F80 HydrophobicContact CB-CD2 4.4Å; L78-F80 HydrophobicContact CB-CE2 3.67Å; L78-F80 HydrophobicContact CB-CZ 4.17Å; L78-F80 HydrophobicContact CD1-CE2 4.15Å; L78-F80 HydrophobicContact CD1-CZ 4.01Å; F80-K96 CarbonylContact O-C 3.48Å; F80-K96 VanDerWaalsContact O-CA 3.24Å; F80-K96 WeakPolarHBondContact O-CA 3.47Å; F80-A97 PolarHBondContact N-O 2.96Å; F80-A97 PolarHBondContact O-N 3.33Å; F80-I99 HydrophobicContact CE2-CD1 3.84Å; F80-I99 HydrophobicContact CE2-CG1 3.97Å; F80-I99 HydrophobicContact CZ-CD1 4.35Å; F80-L119 HydrophobicContact CD2-CD1 3.53Å; F80-L119 HydrophobicContact CE2-CD1 3.81Å; F80-L119 HydrophobicContact CG-CD1 4.13Å; F80-L135 HydrophobicContact CB-CD2 3.67Å; F80-L135 HydrophobicContact CD1-CD2 3.86Å; F80-L135 HydrophobicContact CG-CD2 3.91Å; F80-V137 HydrophobicContact CD1-CG1 4.09Å; F80-V137 HydrophobicContact CE1-CB 4.44Å; F80-V137 HydrophobicContact CE1-CG1 3.71Å; F80-V137 HydrophobicContact CZ-CB 4.5Å; F80-V137 HydrophobicContact CZ-CG1 4.14Å; F80-V137 HydrophobicContact CZ-CG2 4.29Å |
| 81 | R | 94.6 | Very high | 81.2 | Confident | 56 Ų | 56 | 43.4 Ų | 43.4 | 21% | 0.211 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 119.7 | 177.9 | -52.9 | 179.3 | -179.3 | 153.5 | 5.1 | 110.1 | T42 E43 E79 L93 K96 | T42-R81 CarbonylContact C-O 3.49Å; T42-R81 WeakPolarHBondContact CA-O 3.46Å; E43-R81 HydrophobicContact CB-CB 4.26Å; E43-R81 PolarHBondContact N-O 2.73Å; E43-R81 PolarHBondContact O-N 2.88Å; E43-R81 IonicContact OE2-NH1 3.97Å; E79-R81 HydrophobicContact CG-CG 4.3Å; E79-R81 IonicContact OE1-CZ 2.76Å; E79-R81 IonicContact OE1-NE 3.68Å; E79-R81 PolarHBondContact OE1-NE 3.34Å; E79-R81 IonicContact OE1-NH2 3.65Å; E79-R81 PolarHBondContact OE1-NH2 3.41Å; E79-R81 IonicContact OE2-CZ 2.72Å; E79-R81 IonicContact OE2-NE 2.65Å; E79-R81 PolarHBondContact OE2-NE 3.18Å; E79-R81 IonicContact OE2-NH2 2.83Å; E79-R81 PolarHBondContact OE2-NH2 2.79Å; R81-L93 HydrophobicContact CB-CD1 3.9Å; R81-K96 HydrophobicContact CG-CG 4.33Å |
| 82 | V | 91.8 | Very high | 81.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 126.5 | 179.3 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | L29 I40 T42 W64 L94 G95 L121 L135 | L29-V82 HydrophobicContact CD1-CG1 4.47Å; I40-V82 HydrophobicContact CG2-CG1 3.48Å; I40-V82 VanDerWaalsContact CG2-CG1 3.48Å; T42-V82 HydrophobicContact CG2-CG2 4.2Å; W64-V82 HydrophobicContact CH2-CG1 4.49Å; V82-L94 HydrophobicContact CG1-CB 4.48Å; V82-L94 HydrophobicContact CG1-CD1 4.47Å; V82-L94 WeakPolarHBondContact O-CA 3.39Å; V82-L94 WeakPolarHBondContact O-CB 3.35Å; V82-L94 PolarHBondContact O-N 2.77Å; V82-G95 PolarHBondContact N-O 2.88Å; V82-G95 PolarHBondContact O-N 3.35Å; V82-L121 HydrophobicContact CB-CD1 4.44Å; V82-L121 HydrophobicContact CG2-CD1 3.83Å; V82-L121 HydrophobicContact CG2-CD2 3.8Å; V82-L121 HydrophobicContact CG2-CG 4.49Å; V82-L135 HydrophobicContact CG2-CD1 4.23Å; V82-L135 HydrophobicContact CG2-CD2 4.43Å |
| 83 | W | 90.8 | Very high | 81.1 | Confident | 54 Ų | 54 | 44.7 Ų | 44.7 | 21% | 0.205 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 144.9 | -172 | -67.5 | 90.2 | 0 | 0 | 0 | 112.9 | I40 Y41 E43 D91 L93 | I40-W83 VanDerWaalsContact CA-O 3.27Å; I40-W83 WeakPolarHBondContact CA-O 3.18Å; I40-W83 VanDerWaalsContact CG2-O 3.28Å; I40-W83 WeakPolarHBondContact CG2-O 3.27Å; Y41-W83 HydrophobicContact CD1-CB 4.26Å; Y41-W83 HydrophobicContact CD2-CB 4.29Å; Y41-W83 HydrophobicContact CE1-CB 3.82Å; Y41-W83 HydrophobicContact CE2-CB 3.84Å; Y41-W83 AromaticContact CE2-CD1 3.9Å; Y41-W83 HydrophobicContact CE2-CG 4.02Å; Y41-W83 HydrophobicContact CG-CB 4.5Å; Y41-W83 PolarHBondContact N-O 3.25Å; Y41-W83 VanDerWaalsContact N-O 3.16Å; Y41-W83 PolarHBondContact O-N 3.31Å; E43-W83 PolarHBondContact OE2-NE1 3.41Å; W83-D91 HydrophobicContact CE3-CB 4.11Å; W83-D91 WeakPolarHBondContact CZ3-O 3.45Å; W83-L93 HydrophobicContact CD2-CB 4.29Å; W83-L93 HydrophobicContact CD2-CD1 4.02Å; W83-L93 HydrophobicContact CE3-CB 3.9Å; W83-L93 HydrophobicContact CE3-CD1 4.5Å; W83-L93 VanDerWaalsContact CE3-N 3.35Å; W83-L93 HydrophobicContact CG-CD1 4.46Å; W83-L93 HydrophobicContact CH2-CB 4.02Å; W83-L93 HydrophobicContact CH2-CD1 4.47Å; W83-L93 HydrophobicContact CZ2-CB 4.4Å; W83-L93 HydrophobicContact CZ2-CD1 4Å; W83-L93 HydrophobicContact CZ3-CB 3.75Å |
| 84 | S | 83.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 109.1 | 173.1 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | R31 T38 H86 D91 A92 | R31-S84 PolarHBondContact NH1-OG 3.32Å; T38-S84 WeakPolarHBondContact CB-OG 3.43Å; T38-S84 WeakPolarHBondContact CG2-OG 3.47Å; S84-H86 PolarHBondContact O-CD2 3.18Å; S84-H86 VanDerWaalsContact O-CD2 3.23Å; S84-H86 PolarHBondContact OG-NE2 3.08Å; S84-H86 VanDerWaalsContact OG-NE2 3.14Å; S84-D91 WeakPolarHBondContact O-CA 3.34Å; S84-A92 WeakPolarHBondContact CB-O 3.43Å; S84-A92 PolarHBondContact N-O 2.84Å; S84-A92 PolarHBondContact O-N 2.9Å |
| 85 | R | 80.1 | Confident | 81.6 | Confident | 99 Ų | 99 | 43.2 Ų | 43.2 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | trans | -69.3 | 134.9 | 173.8 | -168.1 | -172 | -177.1 | -138.5 | 0.6 | 111 | T38 A39 Y41 D91 | T38-R85 WeakPolarHBondContact CA-O 3.39Å; A39-R85 HydrophobicContact CB-CB 4.39Å; A39-R85 WeakPolarHBondContact O-CB 3.31Å; A39-R85 PolarHBondContact O-N 3.2Å; Y41-R85 HydrophobicContact CE1-CB 4.35Å; R85-D91 VanDerWaalsContact CA-OD1 3.25Å; R85-D91 WeakPolarHBondContact CA-OD1 3.36Å; R85-D91 WeakPolarHBondContact CG-OD1 3.49Å | ||
| 86 | H | 66.9 | Low | 82.2 | Confident | 40 Ų | 40 | 41.8 Ų | 41.8 | 19% | 0.185 | 22% | 0.224 | C | C | . | . | trans | -114.4 | 149.8 | 169.9 | -71.4 | -90.7 | 0 | 0 | 0 | 110.9 | T38 S84 K89 D91 | T38-H86 WeakPolarHBondContact CG2-CE1 3.18Å; S84-H86 PolarHBondContact O-CD2 3.18Å; S84-H86 VanDerWaalsContact O-CD2 3.23Å; S84-H86 PolarHBondContact OG-NE2 3.08Å; S84-H86 VanDerWaalsContact OG-NE2 3.14Å; H86-K89 HydrophobicContact CB-CG 4.08Å; H86-K89 WeakPolarHBondContact CB-O 3.35Å; H86-D91 PolarHBondContact N-OD1 2.97Å | ||
| 87 | A | 54 | Low | 82.4 | Confident | 54 Ų | 54 | 42.2 Ų | 42.2 | 45% | 0.446 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -91.2 | -18.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 88 | L | 47.1 | Very low | 82.5 | Confident | 52 Ų | 52 | 43.5 Ų | 43.5 | 27% | 0.272 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -121 | -1 | -174.1 | -60.4 | 179.7 | 0 | 0 | 0 | 113.9 | F703 I710 M760 | L88-F703 HydrophobicContact CD2-CD2 3.94Å; L88-F703 HydrophobicContact CD2-CE2 3.61Å; L88-I710 HydrophobicContact CD1-CD1 3.77Å; L88-M760 HydrophobicContact CD2-CE 3.8Å |
| 89 | K | 62.8 | Low | 82.5 | Confident | 95 Ų | 95 | 44.2 Ų | 44.2 | 41% | 0.413 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -159.2 | 174.2 | 175 | 63.2 | 179.6 | 173 | -171.6 | 0 | 111.6 | H86 E721 | H86-K89 HydrophobicContact CB-CG 4.08Å; H86-K89 WeakPolarHBondContact CB-O 3.35Å; K89-E721 PolarHBondContact NZ-O 2.74Å; K89-E721 VanDerWaalsContact NZ-O 3.11Å |
| 90 | A | 67.8 | Low | 82.3 | Confident | 87 Ų | 87 | 45.1 Ų | 45.1 | 72% | 0.719 | 25% | 0.246 | S | C | * | . | P | Polyproline II helix | trans | -55.8 | 151.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 91 | D | 81.5 | Confident | 82 | Confident | 48 Ų | 48 | 45.1 Ų | 45.1 | 26% | 0.257 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -66.9 | 139.4 | -178.4 | -69.9 | -3.7 | 0 | 0 | 0 | 111.8 | Y41 W83 S84 R85 H86 | Y41-D91 WeakPolarHBondContact CE1-OD2 3.22Å; Y41-D91 VanDerWaalsContact CZ-OD2 3.31Å; Y41-D91 PolarHBondContact OH-OD2 3.3Å; W83-D91 HydrophobicContact CE3-CB 4.11Å; W83-D91 WeakPolarHBondContact CZ3-O 3.45Å; S84-D91 WeakPolarHBondContact O-CA 3.34Å; R85-D91 VanDerWaalsContact CA-OD1 3.25Å; R85-D91 WeakPolarHBondContact CA-OD1 3.36Å; R85-D91 WeakPolarHBondContact CG-OD1 3.49Å; H86-D91 PolarHBondContact N-OD1 2.97Å |
| 92 | A | 83.9 | Confident | 81.6 | Confident | 41 Ų | 41 | 48 Ų | 48 | 34% | 0.339 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 125 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S84 L94 | S84-A92 WeakPolarHBondContact CB-O 3.43Å; S84-A92 PolarHBondContact N-O 2.84Å; S84-A92 PolarHBondContact O-N 2.9Å; A92-L94 PolarHBondContact O-N 2.89Å |
| 93 | L | 87.7 | Confident | 81.3 | Confident | 44 Ų | 44 | 53.9 Ų | 53.9 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 121.1 | 176.5 | -178.6 | 65.5 | 0 | 0 | 0 | 110.2 | R81 W83 K96 L123 | R81-L93 HydrophobicContact CB-CD1 3.9Å; W83-L93 HydrophobicContact CD2-CB 4.29Å; W83-L93 HydrophobicContact CD2-CD1 4.02Å; W83-L93 HydrophobicContact CE3-CB 3.9Å; W83-L93 HydrophobicContact CE3-CD1 4.5Å; W83-L93 VanDerWaalsContact CE3-N 3.35Å; W83-L93 HydrophobicContact CG-CD1 4.46Å; W83-L93 HydrophobicContact CH2-CB 4.02Å; W83-L93 HydrophobicContact CH2-CD1 4.47Å; W83-L93 HydrophobicContact CZ2-CB 4.4Å; W83-L93 HydrophobicContact CZ2-CD1 4Å; W83-L93 HydrophobicContact CZ3-CB 3.75Å; L93-K96 HydrophobicContact CD1-CG 4.38Å; L93-K96 HydrophobicContact CD2-CD 4.39Å; L93-K96 HydrophobicContact CD2-CG 4.08Å; L93-L123 HydrophobicContact CB-CD1 4.4Å; L93-L123 HydrophobicContact CD2-CD1 3.7Å; L93-L123 HydrophobicContact CG-CD1 3.8Å |
| 94 | L | 86.2 | Confident | 81 | Confident | 26 Ų | 26 | 51.6 Ų | 51.6 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -23.4 | -179.9 | -60.2 | -176 | 0 | 0 | 0 | 113 | L29 I40 V82 A92 T132 | L29-L94 HydrophobicContact CD1-CD1 3.73Å; I40-L94 HydrophobicContact CD1-CD1 3.76Å; I40-L94 HydrophobicContact CG1-CD1 4.32Å; I40-L94 HydrophobicContact CG2-CD1 4.2Å; V82-L94 HydrophobicContact CG1-CB 4.48Å; V82-L94 HydrophobicContact CG1-CD1 4.47Å; V82-L94 WeakPolarHBondContact O-CA 3.39Å; V82-L94 WeakPolarHBondContact O-CB 3.35Å; V82-L94 PolarHBondContact O-N 2.77Å; A92-L94 PolarHBondContact O-N 2.89Å; L94-T132 WeakPolarHBondContact O-CB 3.24Å; L94-T132 WeakPolarHBondContact O-CG2 3.2Å; L94-T132 PolarHBondContact O-OG1 3.28Å |
| 95 | G | 89.6 | Confident | 81 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.1 | 161.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V82 S122 | V82-G95 PolarHBondContact N-O 2.88Å; V82-G95 PolarHBondContact O-N 3.35Å; G95-S122 CarbonylContact C-O 3.59Å; G95-S122 WeakPolarHBondContact CA-O 3.35Å |
| 96 | K | 93.4 | Very high | 81.1 | Confident | 76 Ų | 76 | 52.8 Ų | 52.8 | 33% | 0.33 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 154.6 | 177.4 | -61.8 | -173.2 | 165.2 | -153.6 | 0 | 111 | E79 F80 R81 L93 L121 S122 | E79-K96 VanDerWaalsContact OE1-CD 3.26Å; E79-K96 WeakPolarHBondContact OE1-CD 3.43Å; E79-K96 WeakPolarHBondContact OE1-CE 3.46Å; E79-K96 IonicContact OE1-NZ 2.76Å; E79-K96 PolarHBondContact OE1-NZ 3.06Å; F80-K96 CarbonylContact O-C 3.48Å; F80-K96 VanDerWaalsContact O-CA 3.24Å; F80-K96 WeakPolarHBondContact O-CA 3.47Å; R81-K96 HydrophobicContact CG-CG 4.33Å; L93-K96 HydrophobicContact CD1-CG 4.38Å; L93-K96 HydrophobicContact CD2-CD 4.39Å; L93-K96 HydrophobicContact CD2-CG 4.08Å; K96-L121 WeakPolarHBondContact O-CA 3.3Å; K96-S122 PolarHBondContact N-O 3.35Å; K96-S122 PolarHBondContact O-N 2.77Å |
| 97 | A | 94.4 | Very high | 82 | Confident | 11 Ų | 11 | 56 Ų | 56 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 161.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | F80 L119 L121 | F80-A97 PolarHBondContact N-O 2.96Å; F80-A97 PolarHBondContact O-N 3.33Å; A97-L119 HydrophobicContact CB-CB 3.69Å; A97-L119 HydrophobicContact CB-CD1 3.96Å; A97-L119 HydrophobicContact CB-CG 4.46Å; A97-L121 HydrophobicContact CB-CD2 4.1Å |
| 98 | T | 93.8 | Very high | 83.5 | Confident | 91 Ų | 91 | 56.1 Ų | 56.1 | 56% | 0.558 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.6 | 179.4 | 46.1 | 0 | 0 | 0 | 0 | 112.3 | T77 L78 E79 | T77-T98 HydrophobicContact CG2-CG2 4.08Å; L78-T98 CarbonylContact O-C 3.59Å; L78-T98 WeakPolarHBondContact O-CA 3.41Å; E79-T98 HydrophobicContact CB-CG2 4.21Å; E79-T98 HydrophobicContact CG-CG2 4.1Å |
| 99 | I | 93.4 | Very high | 85 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 8% | 0.077 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 119.3 | 164.3 | -58.4 | 179.7 | 0 | 0 | 0 | 107.5 | T77 L78 F80 L101 A104 E117 L119 V137 L139 | T77-I99 CarbonylContact C-O 3.59Å; T77-I99 WeakPolarHBondContact CA-O 3.2Å; L78-I99 HydrophobicContact CB-CB 4.43Å; L78-I99 PolarHBondContact N-O 3.02Å; L78-I99 PolarHBondContact O-N 3.06Å; F80-I99 HydrophobicContact CE2-CD1 3.84Å; F80-I99 HydrophobicContact CE2-CG1 3.97Å; F80-I99 HydrophobicContact CZ-CD1 4.35Å; I99-L101 HydrophobicContact CG2-CD2 4.43Å; I99-L101 PolarHBondContact O-N 2.88Å; I99-A104 HydrophobicContact CG2-CB 3.94Å; I99-E117 HydrophobicContact CD1-CB 4.28Å; I99-E117 HydrophobicContact CD1-CG 4.37Å; I99-L119 HydrophobicContact CD1-CD1 3.97Å; I99-L119 HydrophobicContact CD1-CD2 3.84Å; I99-L119 HydrophobicContact CD1-CG 4.39Å; I99-L119 HydrophobicContact CG1-CD1 3.84Å; I99-L119 HydrophobicContact CG1-CD2 3.61Å; I99-L119 HydrophobicContact CG1-CG 4.36Å; I99-V137 HydrophobicContact CD1-CG2 4.01Å; I99-L139 HydrophobicContact CD1-CD1 3.96Å; I99-L139 HydrophobicContact CD1-CD2 4.36Å; I99-L139 HydrophobicContact CG2-CD1 4.36Å |
| 100 | D | 90.7 | Very high | 85.9 | Confident | 59 Ų | 59 | 61.9 Ų | 61.9 | 32% | 0.316 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 116 | 162 | -178.6 | -5 | 0 | 0 | 0 | 108 | K102 E103 A104 | D100-K102 PolarHBondContact O-N 2.84Å; D100-K102 WeakPolarHBondContact OD1-CB 3.4Å; D100-K102 PolarHBondContact OD1-N 2.66Å; D100-E103 HydrophobicContact CB-CB 4.17Å; D100-E103 PolarHBondContact O-N 2.9Å; D100-A104 PolarHBondContact O-N 3.1Å |
| 101 | L | 88.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.6 | -27.7 | 179.6 | -69 | 173.1 | 0 | 0 | 0 | 112 | L20 V72 T76 L78 I99 E103 A104 L105 L112 L139 | L20-L101 HydrophobicContact CD2-CD1 4.02Å; L20-L101 HydrophobicContact CD2-CD2 3.8Å; V72-L101 HydrophobicContact CB-CD1 3.66Å; V72-L101 HydrophobicContact CG1-CD1 3.63Å; V72-L101 HydrophobicContact CG2-CD1 4.04Å; T76-L101 HydrophobicContact CG2-CD1 4.35Å; T76-L101 VanDerWaalsContact O-CB 3.29Å; T76-L101 WeakPolarHBondContact O-CB 3.38Å; T76-L101 WeakPolarHBondContact O-CG 3.13Å; T76-L101 PolarHBondContact O-N 3.33Å; T76-L101 VanDerWaalsContact O-N 3.15Å; L78-L101 HydrophobicContact CD1-CD2 3.93Å; L78-L101 HydrophobicContact CD1-CG 4.39Å; L78-L101 HydrophobicContact CD2-CD1 4.15Å; L78-L101 HydrophobicContact CG-CD1 4.15Å; L78-L101 HydrophobicContact CG-CD2 4.22Å; L78-L101 HydrophobicContact CG-CG 4.13Å; I99-L101 HydrophobicContact CG2-CD2 4.43Å; I99-L101 PolarHBondContact O-N 2.88Å; L101-E103 VanDerWaalsContact C-N 3.34Å; L101-A104 PolarHBondContact O-N 2.83Å; L101-L105 HydrophobicContact CB-CD1 4.44Å; L101-L105 WeakPolarHBondContact O-CB 3.34Å; L101-L105 VanDerWaalsContact O-CD1 3.26Å; L101-L105 WeakPolarHBondContact O-CD1 2.92Å; L101-L105 WeakPolarHBondContact O-CG 3.35Å; L101-L105 PolarHBondContact O-N 3.02Å; L101-L112 HydrophobicContact CD2-CD1 3.93Å; L101-L139 HydrophobicContact CD2-CD1 4.22Å |
| 102 | K | 84.9 | Confident | 86.7 | Confident | 116 Ų | 116 | 59.6 Ų | 59.6 | 50% | 0.504 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 174.9 | -173.6 | -170.4 | 170.9 | -166.9 | 0 | 110.9 | P74 D100 L106 | P74-K102 WeakPolarHBondContact O-CA 3.36Å; P74-K102 WeakPolarHBondContact O-CB 3.43Å; P74-K102 PolarHBondContact O-N 3.37Å; D100-K102 PolarHBondContact O-N 2.84Å; D100-K102 WeakPolarHBondContact OD1-CB 3.4Å; D100-K102 PolarHBondContact OD1-N 2.66Å; K102-L106 HydrophobicContact CG-CD1 4.44Å; K102-L106 WeakPolarHBondContact O-CB 3.35Å; K102-L106 WeakPolarHBondContact O-CD1 3.46Å; K102-L106 VanDerWaalsContact O-CG 3.25Å; K102-L106 WeakPolarHBondContact O-CG 3.32Å; K102-L106 PolarHBondContact O-N 3.37Å |
| 103 | E | 85.7 | Confident | 86.8 | Confident | 123 Ų | 123 | 62.6 Ų | 62.6 | 58% | 0.575 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -70 | -46.1 | 177.4 | -172.4 | 170.9 | -152 | 0 | 0 | 111 | D100 L101 L105 L106 I107 | D100-E103 HydrophobicContact CB-CB 4.17Å; D100-E103 PolarHBondContact O-N 2.9Å; L101-E103 VanDerWaalsContact C-N 3.34Å; E103-L105 VanDerWaalsContact C-N 3.33Å; E103-L105 PolarHBondContact O-N 3.4Å; E103-L106 PolarHBondContact O-N 3.25Å; E103-L106 VanDerWaalsContact O-N 3.09Å; E103-I107 HydrophobicContact CG-CD1 3.96Å; E103-I107 WeakPolarHBondContact O-CG1 3.33Å; E103-I107 PolarHBondContact O-N 3.28Å |
| 104 | A | 86.1 | Confident | 86.7 | Confident | 7 Ų | 7 | 69.1 Ų | 69.1 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.1 | -42.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | I99 D100 L101 I107 H108 L112 | I99-A104 HydrophobicContact CG2-CB 3.94Å; D100-A104 PolarHBondContact O-N 3.1Å; L101-A104 PolarHBondContact O-N 2.83Å; A104-I107 PolarHBondContact O-N 2.93Å; A104-H108 WeakPolarHBondContact O-CB 3.2Å; A104-H108 PolarHBondContact O-CD2 3.49Å; A104-H108 PolarHBondContact O-N 2.93Å; A104-L112 HydrophobicContact CB-CD2 4.33Å |
| 105 | L | 83.4 | Confident | 86.9 | Confident | 8 Ų | 8 | 68.7 Ų | 68.7 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.6 | -32.2 | 175.1 | -77 | 159 | 0 | 0 | 0 | 112.5 | L101 E103 R110 L112 L142 I144 | L101-L105 HydrophobicContact CB-CD1 4.44Å; L101-L105 WeakPolarHBondContact O-CB 3.34Å; L101-L105 VanDerWaalsContact O-CD1 3.26Å; L101-L105 WeakPolarHBondContact O-CD1 2.92Å; L101-L105 WeakPolarHBondContact O-CG 3.35Å; L101-L105 PolarHBondContact O-N 3.02Å; E103-L105 VanDerWaalsContact C-N 3.33Å; E103-L105 PolarHBondContact O-N 3.4Å; L105-R110 VanDerWaalsContact O-CA 3.23Å; L105-R110 WeakPolarHBondContact O-CA 3.48Å; L105-R110 PolarHBondContact O-N 3.34Å; L105-L112 HydrophobicContact CD2-CD1 4.34Å; L105-L112 HydrophobicContact CD2-CG 3.93Å; L105-L112 HydrophobicContact CG-CD1 4.27Å; L105-L112 HydrophobicContact CG-CG 4.28Å; L105-L142 HydrophobicContact CD1-CD2 3.95Å; L105-L142 HydrophobicContact CD2-CD2 4.31Å; L105-L142 HydrophobicContact CG-CD2 4.45Å; L105-I144 HydrophobicContact CD1-CD1 3.48Å; L105-I144 VanDerWaalsContact CD1-CD1 3.48Å; L105-I144 HydrophobicContact CD1-CG1 4.39Å; L105-I144 HydrophobicContact CD2-CD1 4.22Å; L105-I144 HydrophobicContact CD2-CG1 4.36Å; L105-I144 HydrophobicContact CG-CD1 4.41Å |
| 106 | L | 82.4 | Confident | 86.9 | Confident | 116 Ų | 116 | 75.7 Ų | 75.7 | 61% | 0.607 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -70.1 | -40.1 | 173.5 | -76.4 | 167 | 0 | 0 | 0 | 112 | K102 E103 | K102-L106 HydrophobicContact CG-CD1 4.44Å; K102-L106 WeakPolarHBondContact O-CB 3.35Å; K102-L106 WeakPolarHBondContact O-CD1 3.46Å; K102-L106 VanDerWaalsContact O-CG 3.25Å; K102-L106 WeakPolarHBondContact O-CG 3.32Å; K102-L106 PolarHBondContact O-N 3.37Å; E103-L106 PolarHBondContact O-N 3.25Å; E103-L106 VanDerWaalsContact O-N 3.09Å |
| 107 | I | 85.1 | Confident | 86.8 | Confident | 107 Ų | 107 | 74.6 Ų | 74.6 | 55% | 0.549 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.9 | -46.7 | 177.3 | -68.1 | 166.1 | 0 | 0 | 0 | 111 | E103 A104 N109 | E103-I107 HydrophobicContact CG-CD1 3.96Å; E103-I107 WeakPolarHBondContact O-CG1 3.33Å; E103-I107 PolarHBondContact O-N 3.28Å; A104-I107 PolarHBondContact O-N 2.93Å; I107-N109 PolarHBondContact O-N 3.5Å |
| 108 | H | 84.5 | Confident | 86.7 | Confident | 56 Ų | 56 | 79.3 Ų | 79.3 | 26% | 0.259 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 42.7 | -173.4 | -61.6 | -71.6 | 0 | 0 | 0 | 112.9 | A104 R110 K111 L112 V115 E117 | A104-H108 WeakPolarHBondContact O-CB 3.2Å; A104-H108 PolarHBondContact O-CD2 3.49Å; A104-H108 PolarHBondContact O-N 2.93Å; H108-R110 VanDerWaalsContact C-N 3.26Å; H108-R110 PolarHBondContact O-N 3.37Å; H108-K111 CarbonylContact O-C 3.56Å; H108-K111 PolarHBondContact O-N 3.28Å; H108-K111 VanDerWaalsContact O-O 3.1Å; H108-L112 HydrophobicContact CB-CD2 3.89Å; H108-V115 HydrophobicContact CB-CG2 4.22Å; H108-V115 VanDerWaalsContact NE2-CG1 3.29Å; H108-V115 WeakPolarHBondContact NE2-CG1 3.48Å; H108-E117 IonicContact CD2-OE1 3.25Å; H108-E117 IonicContact CE1-OE1 2.71Å; H108-E117 IonicContact NE2-OE1 2.73Å; H108-E117 PolarHBondContact NE2-OE1 3.45Å |
| 109 | N | 80.4 | Confident | 86.6 | Confident | 149 Ų | 149 | 75.9 Ų | 75.9 | 80% | 0.797 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 38.9 | 171.8 | -66.1 | -51.7 | 0 | 0 | 0 | 115.4 | I107 K111 | I107-N109 PolarHBondContact O-N 3.5Å; N109-K111 PolarHBondContact O-N 3.25Å |
| 110 | R | 80.1 | Confident | 86.6 | Confident | 120 Ų | 120 | 82.4 Ų | 82.4 | 45% | 0.453 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 19.7 | -177.3 | -50.8 | -177.2 | -176.5 | -166.3 | 1.5 | 115.1 | L105 H108 I144 | L105-R110 VanDerWaalsContact O-CA 3.23Å; L105-R110 WeakPolarHBondContact O-CA 3.48Å; L105-R110 PolarHBondContact O-N 3.34Å; H108-R110 VanDerWaalsContact C-N 3.26Å; H108-R110 PolarHBondContact O-N 3.37Å; R110-I144 PolarHBondContact O-N 3.1Å; R110-I144 VanDerWaalsContact O-N 3.11Å |
| 111 | K | 82.4 | Confident | 86.7 | Confident | 87 Ų | 87 | 79.6 Ų | 79.6 | 38% | 0.378 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 105.6 | -174.7 | -152.5 | -172 | -164.1 | -154.9 | 0 | 112.1 | H108 N109 E113 V143 | H108-K111 CarbonylContact O-C 3.56Å; H108-K111 PolarHBondContact O-N 3.28Å; H108-K111 VanDerWaalsContact O-O 3.1Å; N109-K111 PolarHBondContact O-N 3.25Å; K111-E113 HydrophobicContact CD-CG 4.33Å; K111-E113 WeakPolarHBondContact CE-OE1 3.36Å; K111-E113 VanDerWaalsContact CE-OE2 3.29Å; K111-E113 WeakPolarHBondContact CE-OE2 3.15Å; K111-E113 HydrophobicContact CG-CG 4.29Å; K111-E113 IonicContact NZ-OE1 2.84Å; K111-E113 PolarHBondContact NZ-OE1 3.48Å; K111-E113 IonicContact NZ-OE2 3.54Å; K111-E113 PolarHBondContact NZ-OE2 3.17Å; K111-E113 PolarHBondContact O-N 2.62Å; K111-V143 HydrophobicContact CG-CB 4.42Å; K111-V143 HydrophobicContact CG-CG1 4.11Å; K111-V143 HydrophobicContact CG-CG2 3.76Å |
| 112 | L | 84.9 | Confident | 86.8 | Confident | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 85.2 | 171.1 | -54.6 | -178.9 | 0 | 0 | 0 | 109.6 | L20 L101 A104 L105 H108 V115 L139 D140 G141 L142 | L20-L112 HydrophobicContact CD1-CD1 4.3Å; L101-L112 HydrophobicContact CD2-CD1 3.93Å; A104-L112 HydrophobicContact CB-CD2 4.33Å; L105-L112 HydrophobicContact CD2-CD1 4.34Å; L105-L112 HydrophobicContact CD2-CG 3.93Å; L105-L112 HydrophobicContact CG-CD1 4.27Å; L105-L112 HydrophobicContact CG-CG 4.28Å; H108-L112 HydrophobicContact CB-CD2 3.89Å; L112-V115 HydrophobicContact CB-CG2 4.46Å; L112-V115 HydrophobicContact CD2-CB 4.28Å; L112-V115 HydrophobicContact CD2-CG1 4.3Å; L112-V115 HydrophobicContact CD2-CG2 4.02Å; L112-L139 HydrophobicContact CB-CB 4.36Å; L112-L139 HydrophobicContact CD1-CB 4.23Å; L112-L139 HydrophobicContact CD1-CD1 4.01Å; L112-D140 CarbonylContact O-C 3.59Å; L112-D140 WeakPolarHBondContact O-CA 3.29Å; L112-G141 PolarHBondContact O-N 2.81Å; L112-L142 HydrophobicContact CB-CB 4.23Å; L112-L142 HydrophobicContact CD1-CB 4.49Å; L112-L142 HydrophobicContact CD1-CD2 4.11Å; L112-L142 PolarHBondContact N-O 2.94Å; L112-L142 PolarHBondContact O-N 3.31Å |
| 113 | E | 86.1 | Confident | 86.9 | Confident | 104 Ų | 104 | 78.1 Ų | 78.1 | 49% | 0.486 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -109.7 | 114.8 | 166.7 | -78.6 | 178.4 | 167.6 | 0 | 0 | 109.2 | K111 V115 D140 | K111-E113 HydrophobicContact CD-CG 4.33Å; K111-E113 WeakPolarHBondContact CE-OE1 3.36Å; K111-E113 VanDerWaalsContact CE-OE2 3.29Å; K111-E113 WeakPolarHBondContact CE-OE2 3.15Å; K111-E113 HydrophobicContact CG-CG 4.29Å; K111-E113 IonicContact NZ-OE1 2.84Å; K111-E113 PolarHBondContact NZ-OE1 3.48Å; K111-E113 IonicContact NZ-OE2 3.54Å; K111-E113 PolarHBondContact NZ-OE2 3.17Å; K111-E113 PolarHBondContact O-N 2.62Å; E113-V115 PolarHBondContact O-N 3.34Å; E113-D140 WeakPolarHBondContact CA-OD1 3.28Å |
| 114 | R | 85.4 | Confident | 86.7 | Confident | 181 Ų | 181 | 79.7 Ų | 79.7 | 68% | 0.683 | 37% | 0.373 | S | S | * | . | S | Bend | trans | 52.3 | 26.9 | 176.4 | -46.6 | -167 | 63.6 | 68.9 | -6.2 | 114.6 | K116 V138 L139 D140 | R114-K116 PolarHBondContact O-N 2.72Å; R114-V138 VanDerWaalsContact C-CG1 3.49Å; R114-L139 CarbonylContact C-O 3.6Å; R114-L139 PolarHBondContact N-O 3.2Å; R114-D140 WeakPolarHBondContact CG-OD1 3.27Å; R114-D140 WeakPolarHBondContact CG-OD2 3.08Å; R114-D140 IonicContact CZ-OD2 3.3Å; R114-D140 PolarHBondContact N-OD1 2.99Å; R114-D140 IonicContact NH1-OD2 2.79Å; R114-D140 PolarHBondContact NH1-OD2 3.22Å |
| 115 | V | 89.3 | Confident | 86.1 | Confident | 17 Ų | 17 | 83.5 Ų | 83.5 | 10% | 0.103 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 115.1 | -176 | 168 | 0 | 0 | 0 | 0 | 109.6 | H108 L112 E113 E117 V138 L139 | H108-V115 HydrophobicContact CB-CG2 4.22Å; H108-V115 VanDerWaalsContact NE2-CG1 3.29Å; H108-V115 WeakPolarHBondContact NE2-CG1 3.48Å; L112-V115 HydrophobicContact CB-CG2 4.46Å; L112-V115 HydrophobicContact CD2-CB 4.28Å; L112-V115 HydrophobicContact CD2-CG1 4.3Å; L112-V115 HydrophobicContact CD2-CG2 4.02Å; E113-V115 PolarHBondContact O-N 3.34Å; V115-E117 HydrophobicContact CG1-CG 4.27Å; V115-V138 CarbonylContact O-C 3.53Å; V115-V138 VanDerWaalsContact O-CA 3.28Å; V115-V138 WeakPolarHBondContact O-CA 3.3Å; V115-L139 HydrophobicContact CB-CB 4.47Å; V115-L139 PolarHBondContact N-O 3.39Å; V115-L139 PolarHBondContact O-N 3.45Å |
| 116 | K | 90.3 | Very high | 85.2 | Confident | 146 Ų | 146 | 93.4 Ų | 93.4 | 64% | 0.635 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 115.9 | -176.5 | -178 | -177.3 | 178.5 | -175.8 | 0 | 111.4 | R114 T136 V137 V138 | R114-K116 PolarHBondContact O-N 2.72Å; K116-T136 HydrophobicContact CD-CG2 4.41Å; K116-T136 HydrophobicContact CG-CG2 4.25Å; K116-V137 WeakPolarHBondContact CA-O 3.17Å; K116-V138 HydrophobicContact CB-CG2 4.21Å; K116-V138 HydrophobicContact CG-CG2 4.16Å |
| 117 | E | 90.3 | Very high | 83.9 | Confident | 54 Ų | 54 | 95.9 Ų | 95.9 | 25% | 0.252 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 145.4 | 178.9 | -68.5 | -60.5 | 160.6 | 0 | 0 | 112.2 | I99 H108 V115 L119 T136 V137 | I99-E117 HydrophobicContact CD1-CB 4.28Å; I99-E117 HydrophobicContact CD1-CG 4.37Å; H108-E117 IonicContact CD2-OE1 3.25Å; H108-E117 IonicContact CE1-OE1 2.71Å; H108-E117 IonicContact NE2-OE1 2.73Å; H108-E117 PolarHBondContact NE2-OE1 3.45Å; V115-E117 HydrophobicContact CG1-CG 4.27Å; E117-L119 HydrophobicContact CB-CD2 4.09Å; E117-T136 WeakPolarHBondContact O-CA 3.28Å; E117-V137 HydrophobicContact CB-CG2 4Å; E117-V137 PolarHBondContact N-O 2.93Å; E117-V137 PolarHBondContact O-N 3.47Å |
| 118 | Q | 92.3 | Very high | 83.4 | Confident | 110 Ų | 110 | 92.5 Ų | 92.5 | 51% | 0.514 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 89.6 | 178.3 | -173.3 | 173.4 | -16.2 | 0 | 0 | 110 | E134 L135 | Q118-E134 PolarHBondContact NE2-OE2 2.74Å; Q118-L135 CarbonylContact C-O 3.55Å; Q118-L135 WeakPolarHBondContact CA-O 3.21Å |
| 119 | L | 93.2 | Very high | 83.1 | Confident | 19 Ų | 19 | 95.6 Ų | 95.6 | 10% | 0.099 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 139.5 | -173.2 | -48.4 | -178.7 | 0 | 0 | 0 | 111.2 | F80 A97 I99 E117 E134 L135 V137 | F80-L119 HydrophobicContact CD2-CD1 3.53Å; F80-L119 HydrophobicContact CE2-CD1 3.81Å; F80-L119 HydrophobicContact CG-CD1 4.13Å; A97-L119 HydrophobicContact CB-CB 3.69Å; A97-L119 HydrophobicContact CB-CD1 3.96Å; A97-L119 HydrophobicContact CB-CG 4.46Å; I99-L119 HydrophobicContact CD1-CD1 3.97Å; I99-L119 HydrophobicContact CD1-CD2 3.84Å; I99-L119 HydrophobicContact CD1-CG 4.39Å; I99-L119 HydrophobicContact CG1-CD1 3.84Å; I99-L119 HydrophobicContact CG1-CD2 3.61Å; I99-L119 HydrophobicContact CG1-CG 4.36Å; E117-L119 HydrophobicContact CB-CD2 4.09Å; L119-E134 CarbonylContact O-C 3.49Å; L119-E134 WeakPolarHBondContact O-CA 3.23Å; L119-L135 HydrophobicContact CB-CB 4.5Å; L119-L135 PolarHBondContact N-O 3.45Å; L119-L135 PolarHBondContact O-N 2.85Å; L119-V137 HydrophobicContact CD1-CG2 4.3Å; L119-V137 HydrophobicContact CG-CG2 4.45Å |
| 120 | K | 93.1 | Very high | 83.2 | Confident | 152 Ų | 152 | 90.3 Ų | 90.3 | 66% | 0.661 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 118.9 | 172 | -66.1 | 173.3 | -174.6 | 167.5 | 0 | 108.8 | ||
| 121 | L | 91.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 88.2 Ų | 88.2 | 0% | 0 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 132.2 | 175.2 | -66.6 | 168.1 | 0 | 0 | 0 | 110 | A27 L29 V82 K96 A97 Q131 T132 G133 L135 | A27-L121 HydrophobicContact CB-CD1 4.45Å; L29-L121 HydrophobicContact CD2-CD1 3.57Å; V82-L121 HydrophobicContact CB-CD1 4.44Å; V82-L121 HydrophobicContact CG2-CD1 3.83Å; V82-L121 HydrophobicContact CG2-CD2 3.8Å; V82-L121 HydrophobicContact CG2-CG 4.49Å; K96-L121 WeakPolarHBondContact O-CA 3.3Å; A97-L121 HydrophobicContact CB-CD2 4.1Å; L121-Q131 CarbonylContact O-C 3.5Å; L121-Q131 WeakPolarHBondContact O-CA 3.5Å; L121-Q131 VanDerWaalsContact O-CG 3.22Å; L121-Q131 WeakPolarHBondContact O-CG 3.48Å; L121-T132 PolarHBondContact O-N 3.42Å; L121-G133 PolarHBondContact N-O 3.19Å; L121-G133 PolarHBondContact O-N 3.37Å; L121-L135 HydrophobicContact CD1-CB 4.1Å; L121-L135 HydrophobicContact CD2-CB 4Å; L121-L135 HydrophobicContact CD2-CD2 4.47Å; L121-L135 HydrophobicContact CG-CB 3.98Å |
| 122 | S | 90.6 | Very high | 83.7 | Confident | 44 Ų | 44 | 85.5 Ų | 85.5 | 31% | 0.308 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 152.9 | 176.3 | 60 | 0 | 0 | 0 | 0 | 112.3 | G95 K96 A130 | G95-S122 CarbonylContact C-O 3.59Å; G95-S122 WeakPolarHBondContact CA-O 3.35Å; K96-S122 PolarHBondContact N-O 3.35Å; K96-S122 PolarHBondContact O-N 2.77Å; S122-A130 CarbonylContact C-O 3.54Å; S122-A130 VanDerWaalsContact CA-O 3.25Å; S122-A130 WeakPolarHBondContact CA-O 3.19Å |
| 123 | L | 88.1 | Confident | 83.9 | Confident | 40 Ų | 40 | 85.5 Ų | 85.5 | 21% | 0.209 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 137.9 | 176.1 | -169.7 | 67.1 | 0 | 0 | 0 | 109.2 | L93 A130 T132 | L93-L123 HydrophobicContact CB-CD1 4.4Å; L93-L123 HydrophobicContact CD2-CD1 3.7Å; L93-L123 HydrophobicContact CG-CD1 3.8Å; L123-A130 PolarHBondContact N-O 3.23Å; L123-A130 PolarHBondContact O-N 2.75Å; L123-T132 HydrophobicContact CB-CG2 3.57Å; L123-T132 HydrophobicContact CD2-CG2 4.49Å |
| 124 | E | 81.5 | Confident | 84.3 | Confident | 156 Ų | 156 | 83.2 Ų | 83.2 | 73% | 0.729 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 121.2 | 178.8 | -172.3 | 166.7 | -145.1 | 0 | 0 | 110.2 | I129 | E124-I129 HydrophobicContact CB-CG1 4.44Å; E124-I129 HydrophobicContact CG-CG1 4.35Å |
| 125 | N | 72.1 | Confident | 84.7 | Confident | 87 Ų | 87 | 74.6 Ų | 74.6 | 47% | 0.465 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 169.1 | 178.6 | -70.5 | -38.4 | 0 | 0 | 0 | 110.1 | N127 G128 | N125-N127 PolarHBondContact O-N 3.1Å; N125-G128 PolarHBondContact N-O 2.84Å; N125-G128 PolarHBondContact O-N 3.35Å |
| 126 | K | 65.8 | Low | 85 | Confident | 217 Ų | 217 | 74.7 Ų | 74.7 | 94% | 0.943 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -14.8 | 176.2 | -64.5 | -175.6 | 179.9 | 179.1 | 0 | 114.9 | ||
| 127 | N | 55.3 | Low | 85.2 | Confident | 168 Ų | 168 | 67.8 Ų | 67.8 | 90% | 0.898 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 15.8 | 178.7 | -59.3 | 13.9 | 0 | 0 | 0 | 112.7 | N125 | N125-N127 PolarHBondContact O-N 3.1Š|
| 128 | G | 72.9 | Confident | 85.4 | Confident | 36 Ų | 36 | 66.3 Ų | 66.3 | 37% | 0.371 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 103.7 | -173.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | N125 | N125-G128 PolarHBondContact N-O 2.84Å; N125-G128 PolarHBondContact O-N 3.35Å |
| 129 | I | 79.2 | Confident | 85.4 | Confident | 121 Ų | 121 | 61 Ų | 61 | 62% | 0.621 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 120.8 | -174.8 | -58.4 | 173.7 | 0 | 0 | 0 | 110.6 | E124 | E124-I129 HydrophobicContact CB-CG1 4.44Å; E124-I129 HydrophobicContact CG-CG1 4.35Å |
| 130 | A | 82.8 | Confident | 85.3 | Confident | 38 Ų | 38 | 61.2 Ų | 61.2 | 31% | 0.314 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 136.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | S122 L123 T132 | S122-A130 CarbonylContact C-O 3.54Å; S122-A130 VanDerWaalsContact CA-O 3.25Å; S122-A130 WeakPolarHBondContact CA-O 3.19Å; L123-A130 PolarHBondContact N-O 3.23Å; L123-A130 PolarHBondContact O-N 2.75Å; A130-T132 PolarHBondContact O-N 2.77Å |
| 131 | Q | 85.4 | Confident | 84.7 | Confident | 75 Ų | 75 | 56.3 Ų | 56.3 | 35% | 0.35 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 111.5 | 173 | -168.1 | -158.1 | 3.4 | 0 | 0 | 110.2 | L121 G133 | L121-Q131 CarbonylContact O-C 3.5Å; L121-Q131 WeakPolarHBondContact O-CA 3.5Å; L121-Q131 VanDerWaalsContact O-CG 3.22Å; L121-Q131 WeakPolarHBondContact O-CG 3.48Å; Q131-G133 PolarHBondContact NE2-O 3.05Å |
| 132 | T | 86.8 | Confident | 84.2 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 19% | 0.19 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -13.8 | -176.8 | 57.9 | 0 | 0 | 0 | 0 | 114 | K30 L94 L121 L123 A130 | K30-T132 WeakPolarHBondContact CB-O 3.31Å; K30-T132 PolarHBondContact N-O 2.68Å; L94-T132 WeakPolarHBondContact O-CB 3.24Å; L94-T132 WeakPolarHBondContact O-CG2 3.2Å; L94-T132 PolarHBondContact O-OG1 3.28Å; L121-T132 PolarHBondContact O-N 3.42Å; L123-T132 HydrophobicContact CB-CG2 3.57Å; L123-T132 HydrophobicContact CD2-CG2 4.49Å; A130-T132 PolarHBondContact O-N 2.77Å |
| 133 | G | 90.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.8 | -156.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | K28 L121 Q131 | K28-G133 CarbonylContact O-C 3.55Å; K28-G133 WeakPolarHBondContact O-CA 3.47Å; L121-G133 PolarHBondContact N-O 3.19Å; L121-G133 PolarHBondContact O-N 3.37Å; Q131-G133 PolarHBondContact NE2-O 3.05Å |
| 134 | E | 93.9 | Very high | 83 | Confident | 56 Ų | 56 | 57.3 Ų | 57.3 | 26% | 0.262 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 142.3 | 173.4 | -66 | 172.5 | -173 | 0 | 0 | 109.7 | A27 K28 Q118 L119 | A27-E134 CarbonylContact C-O 3.53Å; A27-E134 WeakPolarHBondContact CA-O 3.08Å; A27-E134 WeakPolarHBondContact CB-O 3.33Å; K28-E134 PolarHBondContact N-O 2.75Å; K28-E134 PolarHBondContact O-N 3.33Å; Q118-E134 PolarHBondContact NE2-OE2 2.74Å; L119-E134 CarbonylContact O-C 3.49Å; L119-E134 WeakPolarHBondContact O-CA 3.23Å |
| 135 | L | 94.6 | Very high | 82 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 135.3 | 176.7 | -177.4 | 69 | 0 | 0 | 0 | 109.1 | V24 A27 T42 W64 F80 V82 Q118 L119 L121 V137 | V24-L135 HydrophobicContact CG1-CD1 4.09Å; A27-L135 HydrophobicContact CB-CD1 3.88Å; T42-L135 HydrophobicContact CG2-CD2 4.11Å; W64-L135 HydrophobicContact CZ3-CD1 4.06Å; F80-L135 HydrophobicContact CB-CD2 3.67Å; F80-L135 HydrophobicContact CD1-CD2 3.86Å; F80-L135 HydrophobicContact CG-CD2 3.91Å; V82-L135 HydrophobicContact CG2-CD1 4.23Å; V82-L135 HydrophobicContact CG2-CD2 4.43Å; Q118-L135 CarbonylContact C-O 3.55Å; Q118-L135 WeakPolarHBondContact CA-O 3.21Å; L119-L135 HydrophobicContact CB-CB 4.5Å; L119-L135 PolarHBondContact N-O 3.45Å; L119-L135 PolarHBondContact O-N 2.85Å; L121-L135 HydrophobicContact CD1-CB 4.1Å; L121-L135 HydrophobicContact CD2-CB 4Å; L121-L135 HydrophobicContact CD2-CD2 4.47Å; L121-L135 HydrophobicContact CG-CB 3.98Å; L135-V137 HydrophobicContact CD2-CG1 3.95Å; L135-V137 HydrophobicContact CG-CG1 3.97Å |
| 136 | T | 95.1 | Very high | 80.8 | Confident | 19 Ų | 19 | 62 Ų | 62 | 12% | 0.117 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.5 | 175.9 | -55.8 | 0 | 0 | 0 | 0 | 109.6 | S25 S26 K116 E117 | S25-T136 PolarHBondContact N-O 3.29Å; S26-T136 PolarHBondContact N-O 2.78Å; S26-T136 PolarHBondContact O-N 3.37Å; K116-T136 HydrophobicContact CD-CG2 4.41Å; K116-T136 HydrophobicContact CG-CG2 4.25Å; E117-T136 WeakPolarHBondContact O-CA 3.28Å |
| 137 | V | 95 | Very high | 79.8 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 161.1 | 178.4 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | T23 F80 I99 K116 E117 L119 L135 L139 | T23-V137 CarbonylContact O-C 3.51Å; T23-V137 VanDerWaalsContact O-CA 3.26Å; T23-V137 WeakPolarHBondContact O-CA 3.42Å; F80-V137 HydrophobicContact CD1-CG1 4.09Å; F80-V137 HydrophobicContact CE1-CB 4.44Å; F80-V137 HydrophobicContact CE1-CG1 3.71Å; F80-V137 HydrophobicContact CZ-CB 4.5Å; F80-V137 HydrophobicContact CZ-CG1 4.14Å; F80-V137 HydrophobicContact CZ-CG2 4.29Å; I99-V137 HydrophobicContact CD1-CG2 4.01Å; K116-V137 WeakPolarHBondContact CA-O 3.17Å; E117-V137 HydrophobicContact CB-CG2 4Å; E117-V137 PolarHBondContact N-O 2.93Å; E117-V137 PolarHBondContact O-N 3.47Å; L119-V137 HydrophobicContact CD1-CG2 4.3Å; L119-V137 HydrophobicContact CG-CG2 4.45Å; L135-V137 HydrophobicContact CD2-CG1 3.95Å; L135-V137 HydrophobicContact CG-CG1 3.97Å; V137-L139 HydrophobicContact CG2-CD2 4.5Å |
| 138 | V | 93.9 | Very high | 79 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 14% | 0.139 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130.2 | 171.5 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | V22 T23 R114 V115 K116 | V22-V138 CarbonylContact C-O 3.59Å; V22-V138 WeakPolarHBondContact CA-O 3.26Å; T23-V138 PolarHBondContact N-O 2.8Å; T23-V138 PolarHBondContact O-N 2.92Å; R114-V138 VanDerWaalsContact C-CG1 3.49Å; V115-V138 CarbonylContact O-C 3.53Å; V115-V138 VanDerWaalsContact O-CA 3.28Å; V115-V138 WeakPolarHBondContact O-CA 3.3Å; K116-V138 HydrophobicContact CB-CG2 4.21Å; K116-V138 HydrophobicContact CG-CG2 4.16Å |
| 139 | L | 92.2 | Very high | 77.5 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 125.9 | 177.9 | -51.2 | -176.9 | 0 | 0 | 0 | 109 | L20 V22 L78 I99 L101 L112 R114 V115 V137 | L20-L139 HydrophobicContact CD1-CB 4.23Å; L20-L139 HydrophobicContact CD2-CD2 4.4Å; V22-L139 HydrophobicContact CB-CD2 4.5Å; V22-L139 HydrophobicContact CG1-CD2 4.15Å; V22-L139 HydrophobicContact CG2-CD2 3.96Å; L78-L139 HydrophobicContact CD1-CD2 4Å; I99-L139 HydrophobicContact CD1-CD1 3.96Å; I99-L139 HydrophobicContact CD1-CD2 4.36Å; I99-L139 HydrophobicContact CG2-CD1 4.36Å; L101-L139 HydrophobicContact CD2-CD1 4.22Å; L112-L139 HydrophobicContact CB-CB 4.36Å; L112-L139 HydrophobicContact CD1-CB 4.23Å; L112-L139 HydrophobicContact CD1-CD1 4.01Å; R114-L139 CarbonylContact C-O 3.6Å; R114-L139 PolarHBondContact N-O 3.2Å; V115-L139 HydrophobicContact CB-CB 4.47Å; V115-L139 PolarHBondContact N-O 3.39Å; V115-L139 PolarHBondContact O-N 3.45Å; V137-L139 HydrophobicContact CG2-CD2 4.5Å |
| 140 | D | 89.9 | Confident | 75.2 | Confident | 22 Ų | 22 | 63.2 Ų | 63.2 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 146.3 | -172.7 | -151.9 | 6.5 | 0 | 0 | 0 | 112.1 | L20 Q21 L112 E113 R114 | L20-D140 WeakPolarHBondContact CD1-O 3.42Å; Q21-D140 HydrophobicContact CB-CB 4.24Å; Q21-D140 WeakPolarHBondContact CB-O 3.35Å; Q21-D140 PolarHBondContact N-O 3.2Å; Q21-D140 PolarHBondContact O-N 3.12Å; L112-D140 CarbonylContact O-C 3.59Å; L112-D140 WeakPolarHBondContact O-CA 3.29Å; E113-D140 WeakPolarHBondContact CA-OD1 3.28Å; R114-D140 WeakPolarHBondContact CG-OD1 3.27Å; R114-D140 WeakPolarHBondContact CG-OD2 3.08Å; R114-D140 IonicContact CZ-OD2 3.3Å; R114-D140 PolarHBondContact N-OD1 2.99Å; R114-D140 IonicContact NH1-OD2 2.79Å; R114-D140 PolarHBondContact NH1-OD2 3.22Å |
| 141 | G | 81.9 | Confident | 72.6 | Confident | 50 Ų | 50 | 69.1 Ų | 69.1 | 52% | 0.515 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 85.4 | 9.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 118 | L112 | L112-G141 PolarHBondContact O-N 2.81Š|
| 142 | L | 81.8 | Confident | 69.9 | Low | 3 Ų | 3 | 71.3 Ų | 71.3 | 2% | 0.016 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 117.1 | 179.6 | -171.3 | 70.7 | 0 | 0 | 0 | 112.2 | L18 L20 V72 L105 L112 | L18-L142 HydrophobicContact CB-CD1 3.49Å; L18-L142 VanDerWaalsContact CB-CD1 3.49Å; L18-L142 HydrophobicContact CD1-CD1 3.61Å; L18-L142 HydrophobicContact CG-CD1 4.18Å; L20-L142 HydrophobicContact CD1-CB 3.62Å; L20-L142 HydrophobicContact CD1-CD2 4.33Å; V72-L142 HydrophobicContact CG2-CD1 4.09Å; V72-L142 HydrophobicContact CG2-CD2 4.1Å; L105-L142 HydrophobicContact CD1-CD2 3.95Å; L105-L142 HydrophobicContact CD2-CD2 4.31Å; L105-L142 HydrophobicContact CG-CD2 4.45Å; L112-L142 HydrophobicContact CB-CB 4.23Å; L112-L142 HydrophobicContact CD1-CB 4.49Å; L112-L142 HydrophobicContact CD1-CD2 4.11Å; L112-L142 PolarHBondContact N-O 2.94Å; L112-L142 PolarHBondContact O-N 3.31Å |
| 143 | V | 77.5 | Confident | 67 | Low | 70 Ų | 70 | 75.7 Ų | 75.7 | 42% | 0.424 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.8 | 179 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | K111 | K111-V143 HydrophobicContact CG-CB 4.42Å; K111-V143 HydrophobicContact CG-CG1 4.11Å; K111-V143 HydrophobicContact CG-CG2 3.76Å |
| 144 | I | 74.1 | Confident | 64 | Low | 31 Ų | 31 | 81.1 Ų | 81.1 | 16% | 0.159 | 46% | 0.461 | C | S | . | . | trans | -119.4 | 107.8 | 176.8 | -59.1 | -177.9 | 0 | 0 | 0 | 110 | L18 P74 L105 R110 | L18-I144 HydrophobicContact CD1-CG1 4.48Å; P74-I144 HydrophobicContact CB-CD1 3.53Å; P74-I144 HydrophobicContact CG-CD1 3.53Å; L105-I144 HydrophobicContact CD1-CD1 3.48Å; L105-I144 VanDerWaalsContact CD1-CD1 3.48Å; L105-I144 HydrophobicContact CD1-CG1 4.39Å; L105-I144 HydrophobicContact CD2-CD1 4.22Å; L105-I144 HydrophobicContact CD2-CG1 4.36Å; L105-I144 HydrophobicContact CG-CD1 4.41Å; R110-I144 PolarHBondContact O-N 3.1Å; R110-I144 VanDerWaalsContact O-N 3.11Å | ||
| 145 | E | 60.7 | Low | 60.8 | Low | 172 Ų | 172 | 83.4 Ų | 83.4 | 80% | 0.804 | 48% | 0.484 | S | S | * | . | trans | -67.5 | 162 | 171.5 | -62.5 | -171.3 | 165.9 | 0 | 0 | 111.5 | E147 | E145-E147 VanDerWaalsContact C-N 3.26Å; E145-E147 PolarHBondContact O-N 3.33Å | ||
| 146 | Q | 48.2 | Very low | 58.3 | Low | 171 Ų | 171 | 88.5 Ų | 88.5 | 80% | 0.799 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -71.8 | -11.7 | -150.5 | -165.5 | 156.4 | -36 | 0 | 0 | 115.9 | ||
| 147 | E | 45.1 | Very low | 54.9 | Low | 175 Ų | 175 | 93.1 Ų | 93.1 | 82% | 0.818 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -116.2 | 95.2 | -172.4 | -63 | -176.1 | -178.8 | 0 | 0 | 112.4 | E145 | E145-E147 VanDerWaalsContact C-N 3.26Å; E145-E147 PolarHBondContact O-N 3.33Å |
| 148 | N | 38.6 | Very low | 51.7 | Low | 149 Ų | 149 | 99.8 Ų | 99.8 | 80% | 0.797 | 58% | 0.579 | S | S | * | * | S | Bend | trans | 174.5 | 37.1 | 146 | -96.8 | -56.3 | 0 | 0 | 0 | 115.2 | ||
| 149 | I | 40.1 | Very low | 48.4 | Very low | 107 Ų | 107 | 106.1 Ų | 106.1 | 55% | 0.549 | 61% | 0.607 | S | S | . | * | trans | -133.2 | 58.5 | 170.3 | -45.3 | 177.5 | 0 | 0 | 0 | 111.7 | P74 | P74-I149 HydrophobicContact CB-CD1 4.46Š| ||
| 150 | T | 30.8 | Very low | 45.3 | Very low | 135 Ų | 135 | 112.3 Ų | 112.3 | 83% | 0.828 | 64% | 0.639 | S | S | * | * | trans | -154.7 | 94.2 | 160.1 | 37.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 151 | N | 28.7 | Very low | 42.1 | Very low | 163 Ų | 163 | 118.8 Ų | 118.8 | 87% | 0.872 | 67% | 0.669 | S | S | * | * | trans | -157.5 | 122.5 | 149.8 | -93 | -36 | 0 | 0 | 0 | 105.2 | ||||
| 152 | C | 28.2 | Very low | 39.6 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | S | Bend | cis | -132.4 | 133.7 | 15.9 | -56.7 | 0 | 0 | 0 | 0 | 112.8 | ||
| 153 | S | 27.5 | Very low | 37 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | trans | -166.7 | 121.9 | 143.4 | 46 | 0 | 0 | 0 | 0 | 112 | ||||
| 154 | S | 27.3 | Very low | 34.7 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | trans | -78 | 157.4 | 156.6 | 34.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 155 | S | 25.6 | Very low | 32.4 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | cis | -174.3 | -176.4 | 0.5 | 41.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 156 | P | 41.3 | Very low | 31 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | cis | -132.1 | -167.6 | -48.7 | 35.2 | -17.1 | 0 | 0 | 0 | 113.6 | ||||
| 157 | T | 25.3 | Very low | 30 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 82.8 | 137.5 | 150.5 | 26.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 158 | I | 27.5 | Very low | 29.1 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | trans | 73 | 130.9 | 148.1 | -69.7 | 164.4 | 0 | 0 | 0 | 116.6 | ||||
| 159 | E | 25.1 | Very low | 28.6 | Very low | 155 Ų | 155 | 130.6 Ų | 130.6 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | cis | -157.7 | 147.8 | -3.2 | -118.3 | 171.7 | -162.2 | 0 | 0 | 113.8 | ||||
| 160 | I | 25.3 | Very low | 27.9 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 67% | 0.672 | 76% | 0.758 | S | S | * | * | trans | 42.4 | 111.9 | 132.5 | -67.6 | 175.3 | 0 | 0 | 0 | 121.6 | ||||
| 161 | Q | 24.8 | Very low | 27.7 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | 63.4 | 143.3 | 120.2 | -152.3 | 156.1 | 5 | 0 | 0 | 120.5 | |||||
| 162 | Q | 29.1 | Very low | 27.7 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | cis | -165 | 165.2 | -16.1 | -123.2 | 176.5 | -28.3 | 0 | 0 | 110.2 | ||||
| 163 | N | 26.3 | Very low | 28.7 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | 53.1 | 148.4 | 148.4 | -60.2 | -4.1 | 0 | 0 | 0 | 122.6 | ||||
| 164 | G | 29.1 | Very low | 28.9 | Very low | 71 Ų | 71 | 129.4 Ų | 129.4 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | trans | 144.9 | 62.2 | 132.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 165 | D | 27.1 | Very low | 29 | Very low | 158 Ų | 158 | 128.8 Ų | 128.8 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | trans | 21.8 | 115.3 | 146 | -59.1 | -21.3 | 0 | 0 | 0 | 122.9 | ||||
| 166 | A | 31.2 | Very low | 29.3 | Very low | 89 Ų | 89 | 134.6 Ų | 134.6 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | 71.4 | 172.5 | 119.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 167 | L | 25.4 | Very low | 28.7 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | 75.6 | 145.3 | 177.6 | -53.7 | 179.5 | 0 | 0 | 0 | 116.4 | ||||
| 168 | H | 27.6 | Very low | 29 | Very low | 162 Ų | 162 | 135.8 Ų | 135.8 | 75% | 0.75 | 76% | 0.761 | S | S | * | * | cis | -165.8 | 179.5 | -27.9 | -152.9 | -108.7 | 0 | 0 | 0 | 109.6 | ||||
| 169 | E | 27.3 | Very low | 29.1 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | trans | 73 | 119.5 | 157.9 | -63.7 | -148.3 | 113.8 | 0 | 0 | 123.8 | ||||
| 170 | N | 26.3 | Very low | 29.3 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | 63.4 | 130.6 | 125.3 | -50.4 | -18.4 | 0 | 0 | 0 | 123 | |||||
| 171 | G | 27 | Very low | 29.6 | Very low | 83 Ų | 83 | 137 Ų | 137 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | 172.5 | 71.2 | 168 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 172 | E | 26.8 | Very low | 29.9 | Very low | 186 Ų | 186 | 133.3 Ų | 133.3 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -90.7 | 176.9 | 164.9 | -121.6 | -158.5 | -175.1 | 0 | 0 | 110.3 | ||||
| 173 | P | 49.4 | Very low | 30.1 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 62% | 0.617 | 77% | 0.771 | S | S | * | * | cis | -140.4 | -168 | -6.2 | 38.1 | -17 | 0 | 0 | 0 | 116.4 | ||||
| 174 | S | 31.4 | Very low | 30.2 | Very low | 119 Ų | 119 | 134 Ų | 134 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 85.7 | 150.7 | 157.8 | -60.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 175 | A | 30.4 | Very low | 30.2 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | cis | -130.5 | 173.8 | 14.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 176 | R | 32.3 | Very low | 30.6 | Very low | 227 Ų | 227 | 131.7 Ų | 131.7 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | trans | -109.4 | 166.3 | -167.6 | -60.4 | 174 | 175.4 | 150.8 | -1.9 | 114.4 | ||||
| 177 | T | 28.4 | Very low | 30.6 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | -161.6 | 99.3 | 131.2 | -72.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 178 | T | 31.3 | Very low | 30.8 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | 43.5 | 137.7 | 98.2 | 40.7 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 179 | A | 28.6 | Very low | 31 | Very low | 88 Ų | 88 | 130.6 Ų | 130.6 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | cis | -130.8 | 160.4 | 20.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 180 | R | 30.8 | Very low | 31.1 | Very low | 220 Ų | 220 | 129.9 Ų | 129.9 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | 58.3 | 136.5 | 56 | -71.2 | -172.2 | 164.7 | -159.9 | -4.3 | 113.8 | |||||
| 181 | L | 31.7 | Very low | 31.4 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | cis | -156.4 | -176.4 | -6.1 | -103.2 | 164.9 | 0 | 0 | 0 | 107.3 | V183 | L181-V183 HydrophobicContact CD2-CG2 4.5Š| ||
| 182 | A | 30.4 | Very low | 31.5 | Very low | 82 Ų | 82 | 132.8 Ų | 132.8 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | cis | -141.3 | -165.5 | 13.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 183 | V | 32.4 | Very low | 31.9 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 70% | 0.703 | 76% | 0.755 | S | S | * | * | cis | 72.4 | 136.8 | 32.7 | -160.1 | 0 | 0 | 0 | 0 | 113.5 | L181 | L181-V183 HydrophobicContact CD2-CG2 4.5Š| ||
| 184 | E | 28.9 | Very low | 31.9 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | cis | -127.7 | 172.8 | 12.6 | -129.6 | 128.3 | -127.4 | 0 | 0 | 110.5 | ||||
| 185 | G | 29.3 | Very low | 31.7 | Very low | 66 Ų | 66 | 132 Ų | 132 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | cis | 113.2 | 139.8 | 35.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 186 | T | 34.7 | Very low | 31.7 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | cis | -163.7 | 154.5 | 5.6 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 187 | N | 31.6 | Very low | 31.5 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | trans | 63.9 | 153.1 | 157 | -52.3 | -17.8 | 0 | 0 | 0 | 118.4 | ||||
| 188 | G | 29.5 | Very low | 31.7 | Very low | 66 Ų | 66 | 128.5 Ų | 128.5 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | cis | 162.1 | 138.5 | -2.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 189 | I | 33 | Very low | 31.5 | Very low | 159 Ų | 159 | 129.8 Ų | 129.8 | 82% | 0.815 | 76% | 0.759 | S | S | * | * | 172.1 | 144.1 | 78.3 | -93.8 | 163.1 | 0 | 0 | 0 | 108 | |||||
| 190 | D | 29.2 | Very low | 31.4 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 45.9 | 147.4 | 152.1 | -71.3 | 34.7 | 0 | 0 | 0 | 123.6 | ||||
| 191 | N | 31.5 | Very low | 31.3 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 60% | 0.604 | 77% | 0.766 | S | S | * | * | cis | -162.1 | 159.6 | -18.8 | -129.4 | -39.4 | 0 | 0 | 0 | 112.4 | ||||
| 192 | H | 30.4 | Very low | 31.1 | Very low | 172 Ų | 172 | 130.3 Ų | 130.3 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | trans | 60.9 | 147 | 163.3 | -82.2 | -85.8 | 0 | 0 | 0 | 122.3 | ||||
| 193 | V | 34.2 | Very low | 30.9 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | -113.6 | 173.1 | 179.5 | -109.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 194 | P | 49.3 | Very low | 30.7 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | trans | -102.5 | -179.5 | -146.2 | 41.7 | -39.5 | 0 | 0 | 0 | 114.9 | ||||
| 195 | T | 27.6 | Very low | 30.6 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | trans | -171.8 | 138.2 | 140.4 | -82.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 196 | S | 31.3 | Very low | 30.6 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | trans | 11.4 | 134.2 | 154.8 | -176.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 197 | T | 27.2 | Very low | 30.3 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | -160.6 | 167.5 | 125.2 | -1.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 198 | L | 32.4 | Very low | 30.2 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | trans | -97.3 | 147.6 | -179.1 | -52.7 | 78.4 | 0 | 0 | 0 | 112.8 | ||||
| 199 | V | 27.4 | Very low | 30.2 | Very low | 141 Ų | 141 | 138 Ų | 138 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -155.2 | 126.6 | 143.5 | -162.9 | 0 | 0 | 0 | 0 | 105 | ||||
| 200 | Q | 26 | Very low | 29.9 | Very low | 184 Ų | 184 | 134 Ų | 134 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | cis | 90.2 | 134.8 | 34.5 | -157.7 | 170.8 | 11.5 | 0 | 0 | 114.4 | ||||
| 201 | N | 29.8 | Very low | 29.9 | Very low | 160 Ų | 160 | 135.2 Ų | 135.2 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -72.7 | 156 | -173.6 | -67.3 | -18 | 0 | 0 | 0 | 113.6 | ||||
| 202 | S | 27.1 | Very low | 29.8 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -155 | 152.9 | 130 | -159.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 203 | C | 26.2 | Very low | 30.2 | Very low | 114 Ų | 114 | 135 Ų | 135 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -116.5 | 157.6 | 172.9 | -60 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 204 | C | 28.2 | Very low | 30.1 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | 177.7 | 157 | 149.1 | -97.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 205 | S | 27.6 | Very low | 29.1 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 57% | 0.566 | 80% | 0.797 | S | S | * | * | cis | 179.2 | 171 | -37.5 | 45.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 206 | Y | 29.2 | Very low | 29.4 | Very low | 211 Ų | 211 | 133.4 Ų | 133.4 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | 72.4 | 148.4 | 172.8 | -69.2 | -95.9 | 0 | 0 | 0 | 118.5 | ||||
| 207 | V | 28.3 | Very low | 29.6 | Very low | 116 Ų | 116 | 135 Ų | 135 | 70% | 0.703 | 81% | 0.805 | S | S | * | * | cis | -174.2 | 155.7 | -32.2 | 112.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 208 | V | 28.5 | Very low | 29.7 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | 175.3 | 144.6 | 141.5 | 144.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 209 | N | 29.2 | Very low | 29.7 | Very low | 165 Ų | 165 | 135.4 Ų | 135.4 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -90.6 | 157.7 | 176.6 | -73.2 | -5.7 | 0 | 0 | 0 | 112.5 | ||||
| 210 | G | 27.5 | Very low | 29.8 | Very low | 75 Ų | 75 | 134.4 Ų | 134.4 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | 178.2 | 116.8 | 162 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 211 | D | 30.1 | Very low | 29.8 | Very low | 159 Ų | 159 | 130.2 Ų | 130.2 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -69.2 | 139.4 | 173.1 | -63.5 | -74.8 | 0 | 0 | 0 | 111.8 | ||||
| 212 | N | 28.1 | Very low | 29.7 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | -179 | 166 | 122.3 | -100.6 | -71.7 | 0 | 0 | 0 | 111.9 | |||||
| 213 | T | 38.8 | Very low | 29.8 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | trans | -75.4 | 141.4 | -177.6 | 46.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 214 | P | 33.2 | Very low | 30.3 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -93.3 | 108.1 | 166.4 | 33.2 | -28.6 | 0 | 0 | 0 | 110.9 | ||||
| 215 | S | 27.6 | Very low | 30.4 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -78.3 | 147.8 | 164.5 | 46.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 216 | S | 33.6 | Very low | 30.7 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -70.1 | 139.7 | -178 | -43.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 217 | P | 35.6 | Very low | 30.9 | Very low | 127 Ų | 127 | 136 Ų | 136 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -113.9 | 113.9 | 161.2 | 33.9 | -22.8 | 0 | 0 | 0 | 112.3 | ||||
| 218 | S | 29.5 | Very low | 31.5 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -100.3 | 124.8 | 170.2 | -57.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 219 | Q | 31.6 | Very low | 31.6 | Very low | 187 Ų | 187 | 134.4 Ų | 134.4 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -154.9 | 154.4 | 168.8 | -76.9 | -152.6 | 7.6 | 0 | 0 | 111.4 | ||||
| 220 | V | 29.3 | Very low | 31.9 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | cis | -161.1 | 139.4 | -21.8 | 127.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 221 | A | 26.3 | Very low | 32.1 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | -172.4 | 84.9 | 154 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 222 | A | 29 | Very low | 32.8 | Very low | 103 Ų | 103 | 136 Ų | 136 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | 86.7 | 109.5 | 85.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 223 | R | 28 | Very low | 32.8 | Very low | 223 Ų | 223 | 135.6 Ų | 135.6 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | -135.6 | 144.9 | 174.4 | -176.1 | -172.8 | 175.8 | -170.6 | -0.6 | 109.5 | ||||
| 224 | P | 37.3 | Very low | 32.4 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 165.3 | 171.2 | -23.6 | 35.7 | 0 | 0 | 0 | 114.3 | ||
| 225 | K | 30.8 | Very low | 32.2 | Very low | 207 Ų | 207 | 135.5 Ų | 135.5 | 90% | 0.9 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 160.1 | -158 | -67.3 | 178.5 | 176.8 | 177.2 | 0 | 116.1 | ||
| 226 | N | 33.3 | Very low | 32.3 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 167.4 | 169.1 | -41.3 | -41.8 | 0 | 0 | 0 | 112.4 | ||
| 227 | T | 34.3 | Very low | 33.5 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | -152.8 | 162.8 | 133.8 | 17.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 228 | P | 40.3 | Very low | 33.1 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -123 | -177.5 | -136.1 | 43.9 | -33.3 | 0 | 0 | 0 | 116.6 | ||||
| 229 | A | 31.1 | Very low | 33.1 | Very low | 93 Ų | 93 | 140.1 Ų | 140.1 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -102.9 | 156.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 230 | P | 34.1 | Very low | 33.1 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | trans | -93.8 | 164.2 | 170.6 | 36.9 | -33.8 | 0 | 0 | 0 | 114.1 | ||||
| 231 | K | 33 | Very low | 33.2 | Very low | 200 Ų | 200 | 137.6 Ų | 137.6 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | -119.5 | -179 | 161.2 | -70.6 | -168.9 | 175.9 | -174 | 0 | 107.1 | ||||
| 232 | P | 44.5 | Very low | 33.4 | Very low | 108 Ų | 108 | 138 Ų | 138 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | cis | -145.9 | -160.1 | 13.6 | 37.1 | -11.3 | 0 | 0 | 0 | 116.5 | ||||
| 233 | L | 28 | Very low | 33.6 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | trans | 87.2 | 101.1 | 153.9 | -68.5 | 162.7 | 0 | 0 | 0 | 121.9 | ||||
| 234 | T | 29.5 | Very low | 33.7 | Very low | 126 Ų | 126 | 133 Ų | 133 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | 29.9 | 128.3 | 123.5 | 56.4 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 235 | S | 29.4 | Very low | 33.2 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -156 | 167.4 | 135.8 | 63.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 236 | E | 30.3 | Very low | 33.2 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -87.2 | 170.9 | -172.7 | -89.4 | -179.3 | 139.2 | 0 | 0 | 115.4 | ||||
| 237 | P | 58.5 | Low | 33 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -95.8 | 156.7 | -176.1 | 38.2 | -35.4 | 0 | 0 | 0 | 114.9 | ||||
| 238 | A | 27.7 | Very low | 32.7 | Very low | 98 Ų | 98 | 127.9 Ų | 127.9 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -173.4 | 155.9 | 162 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 239 | D | 29.1 | Very low | 32.2 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | cis | -164.1 | -170.6 | -36.6 | -147 | -34.9 | 0 | 0 | 0 | 106.8 | ||||
| 240 | D | 31.9 | Very low | 32.5 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | 65.9 | 138.5 | 160.9 | -86.1 | -48.6 | 0 | 0 | 0 | 118.9 | ||||
| 241 | T | 30.2 | Very low | 32.8 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | cis | -164.1 | -168.4 | -25.8 | 10.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 242 | V | 32 | Very low | 32.7 | Very low | 104 Ų | 104 | 128 Ų | 128 | 63% | 0.63 | 77% | 0.774 | S | S | * | * | cis | -153.8 | 145.6 | 10.6 | 88 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 243 | N | 32.9 | Very low | 32.1 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | 54.2 | 153.1 | 160.2 | -59.7 | -13.2 | 0 | 0 | 0 | 120.9 | ||||
| 244 | G | 28.7 | Very low | 32.4 | Very low | 66 Ų | 66 | 130.2 Ų | 130.2 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | cis | 162.1 | 117.1 | -9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 245 | E | 28.3 | Very low | 32.6 | Very low | 190 Ų | 190 | 128.3 Ų | 128.3 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | 58.8 | 144.2 | 147.2 | -61.6 | -162.3 | 141.1 | 0 | 0 | 124.7 | ||||
| 246 | S | 29.5 | Very low | 32.6 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | 71.8 | 92.6 | 140.5 | -65.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 247 | S | 30.3 | Very low | 32.9 | Very low | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -3.2 | 137.4 | 132.8 | 58 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 248 | S | 28.2 | Very low | 31.8 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | 155.3 | 155.4 | 97.9 | 62.9 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 249 | F | 29.5 | Very low | 31.7 | Very low | 211 Ų | 211 | 124.4 Ų | 124.4 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | trans | 64 | 160.1 | 166 | -77.2 | -76.6 | 0 | 0 | 0 | 121 | ||||
| 250 | A | 36.1 | Very low | 31.8 | Very low | 84 Ų | 84 | 123.2 Ų | 123.2 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | trans | -104.5 | -176.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 251 | P | 42.1 | Very low | 32.6 | Very low | 131 Ų | 131 | 122.4 Ų | 122.4 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | -143.7 | -177.1 | 113.1 | 40.4 | -27.5 | 0 | 0 | 0 | 115.5 | |||||
| 252 | T | 30.6 | Very low | 32.6 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -108.5 | 152.9 | -172.9 | 46.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 253 | D | 32.3 | Very low | 32.4 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | 67.9 | 160.7 | 140.8 | -65.4 | -21.1 | 0 | 0 | 0 | 124.1 | ||||
| 254 | N | 32.9 | Very low | 32.3 | Very low | 161 Ų | 161 | 121.9 Ų | 121.9 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | 84.1 | 147.4 | 165.8 | -62.1 | -50.8 | 0 | 0 | 0 | 119 | ||||
| 255 | A | 34.4 | Very low | 32.3 | Very low | 86 Ų | 86 | 128.1 Ų | 128.1 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | cis | -173.9 | 161.3 | -24.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 256 | S | 30.3 | Very low | 32.4 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -158.8 | 146.3 | 150.7 | -162.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 257 | V | 36 | Very low | 32.4 | Very low | 122 Ų | 122 | 131 Ų | 131 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | trans | -148.1 | 146.2 | -175.1 | -178.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 258 | T | 34.5 | Very low | 32.3 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | 163.6 | 152.1 | 97 | -47.3 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 259 | G | 26.1 | Very low | 32.3 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 161.7 | 92.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 260 | T | 30.5 | Very low | 32.3 | Very low | 126 Ų | 126 | 128.3 Ų | 128.3 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -98 | 170.5 | 172.7 | -5.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 261 | P | 49.9 | Very low | 32.2 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | -153.7 | 148.4 | 59.1 | 39.8 | -17.2 | 0 | 0 | 0 | 120.9 | |||||
| 262 | V | 30.1 | Very low | 31.6 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | 35.6 | 127.1 | 128.5 | -166.3 | 0 | 0 | 0 | 0 | 122 | |||||
| 263 | V | 27.9 | Very low | 31.5 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | -177.3 | 153.9 | 119.4 | 149.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 264 | S | 29.7 | Very low | 31.3 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -95.4 | 160.3 | -171.8 | -40 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 265 | E | 30.1 | Very low | 31.2 | Very low | 197 Ų | 197 | 128.6 Ų | 128.6 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | -171 | 175.1 | 116.7 | -110.3 | 175.7 | -163.2 | 0 | 0 | 112.9 | |||||
| 266 | E | 30.1 | Very low | 30.9 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -81.4 | 147.4 | -169.1 | -57.5 | 179 | 113.3 | 0 | 0 | 114.5 | ||||
| 267 | N | 29.2 | Very low | 31 | Very low | 171 Ų | 171 | 130.6 Ų | 130.6 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | trans | -160.2 | 163.6 | 133.6 | -117.4 | -70.5 | 0 | 0 | 0 | 113 | ||||
| 268 | A | 28.5 | Very low | 30.8 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | trans | -104.3 | 176.1 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 269 | L | 28.6 | Very low | 30.6 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | 74.6 | 110.2 | 164.2 | -67.6 | 162.5 | 0 | 0 | 0 | 118.5 | ||||
| 270 | S | 29.3 | Very low | 30.5 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -64.6 | 148.8 | 157.6 | -29 | 0 | 0 | 0 | 0 | 112 | ||||
| 271 | P | 33.3 | Very low | 31 | Very low | 131 Ų | 131 | 137 Ų | 137 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -111.6 | 114.1 | 148.9 | 32.7 | -22.9 | 0 | 0 | 0 | 109.7 | ||||
| 272 | N | 29.2 | Very low | 31.4 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -128.6 | 99.6 | 178.3 | -157.3 | 24.1 | 0 | 0 | 0 | 110.6 | ||||
| 273 | C | 28 | Very low | 31.4 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | -167.8 | 160 | 171.3 | -100.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 274 | T | 27.6 | Very low | 31.3 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 71% | 0.712 | 81% | 0.81 | S | S | * | * | cis | -144.2 | 139.3 | 21.4 | -34.3 | 0 | 0 | 0 | 0 | 112.4 | T276 | T274-T276 VanDerWaalsContact CG2-OG1 3.27Å; T274-T276 WeakPolarHBondContact CG2-OG1 3.37Å | ||
| 275 | S | 30.9 | Very low | 31 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -126 | 115.5 | 151.9 | 57.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 276 | T | 29.4 | Very low | 30.8 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | -99.1 | 110.7 | -169 | -41.3 | 0 | 0 | 0 | 0 | 112.2 | T274 V278 | T274-T276 VanDerWaalsContact CG2-OG1 3.27Å; T274-T276 WeakPolarHBondContact CG2-OG1 3.37Å; T276-V278 HydrophobicContact CG2-CG2 4.26Å | ||
| 277 | T | 32.4 | Very low | 30.5 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -93.7 | 155.8 | 155.6 | 46 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 278 | V | 32.3 | Very low | 30.3 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -132.7 | 140.7 | 172.8 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | T276 | T276-V278 HydrophobicContact CG2-CG2 4.26Š| ||
| 279 | E | 29 | Very low | 30.1 | Very low | 183 Ų | 183 | 136.8 Ų | 136.8 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -96 | 175.8 | -175 | -56.5 | 176.8 | 118.4 | 0 | 0 | 112.6 | ||||
| 280 | D | 25.2 | Very low | 30.2 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | -123.5 | 143.8 | 156.5 | -117.2 | -33 | 0 | 0 | 0 | 109.5 | ||||
| 281 | P | 41.2 | Very low | 30.2 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | trans | -100 | 178.6 | -168.4 | 39.8 | -36.5 | 0 | 0 | 0 | 115.3 | ||||
| 282 | P | 57.3 | Low | 30.2 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -111.6 | -177.1 | -161.6 | 42.6 | -36 | 0 | 0 | 0 | 115.5 | ||||
| 283 | V | 29.3 | Very low | 30.2 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 90% | 0.903 | 77% | 0.766 | S | S | * | * | trans | -165.6 | 169.8 | 150 | 127.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 284 | Q | 26.7 | Very low | 30.1 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | trans | -103.6 | 144.1 | -164.1 | -66.3 | 171 | -99.1 | 0 | 0 | 116.8 | ||||
| 285 | E | 24.2 | Very low | 30 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | 61.7 | 157.7 | 124.9 | -149.4 | 177.9 | -107.5 | 0 | 0 | 123.9 | |||||
| 286 | I | 24.4 | Very low | 30 | Very low | 130 Ų | 130 | 138 Ų | 138 | 67% | 0.667 | 77% | 0.768 | S | S | * | * | trans | 94.5 | 101.3 | 160.7 | -52.7 | -173.7 | 0 | 0 | 0 | 119.8 | ||||
| 287 | L | 25.3 | Very low | 30.8 | Very low | 153 Ų | 153 | 138 Ų | 138 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | trans | 48.1 | 136.3 | 139.5 | -55.5 | 175.6 | 0 | 0 | 0 | 120.8 | ||||
| 288 | T | 23.7 | Very low | 30.7 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | -159 | 158.5 | 63.2 | 32.2 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 289 | S | 25.3 | Very low | 30.6 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | -6.3 | 152.9 | 154.4 | 56.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 290 | S | 30.5 | Very low | 30.8 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -177.3 | -174.3 | -6.5 | 49.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 291 | E | 29.8 | Very low | 31 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | cis | -147.1 | 175 | 11 | -65.8 | -175 | 26.3 | 0 | 0 | 111.9 | ||||
| 292 | N | 32.1 | Very low | 30.6 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 68% | 0.684 | 75% | 0.753 | S | S | * | * | trans | 34.8 | 144.6 | 135 | -58.8 | -25.1 | 0 | 0 | 0 | 121.9 | ||||
| 293 | N | 29.5 | Very low | 29.3 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | cis | -156.4 | 145.9 | 31.9 | -155.9 | 27.3 | 0 | 0 | 0 | 116.9 | ||||
| 294 | E | 26.6 | Very low | 29.2 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | 64.3 | 169.9 | 149.1 | -86.9 | 171.4 | 154.6 | 0 | 0 | 124.3 | ||||
| 295 | C | 25.9 | Very low | 29.3 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | trans | -158.8 | 160.9 | -153.7 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 296 | I | 30.5 | Very low | 29.6 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | trans | 150.8 | 121.8 | 145.2 | -79.5 | 157.1 | 0 | 0 | 0 | 111 | ||||
| 297 | P | 46.4 | Very low | 29.9 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -102.8 | 157.6 | 161.9 | 37.5 | -30.8 | 0 | 0 | 0 | 112 | ||||
| 298 | S | 30 | Very low | 30.2 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | -158.1 | 118.4 | 173.9 | -76.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 299 | T | 30.3 | Very low | 30.4 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | 51.6 | 146.9 | 130.1 | 60.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 300 | S | 33.7 | Very low | 30.8 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | cis | -178.2 | -172.4 | -9.9 | 52.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 301 | A | 29.3 | Very low | 30.8 | Very low | 82 Ų | 82 | 136.3 Ų | 136.3 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | 73.2 | 115.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 302 | E | 31.6 | Very low | 30.9 | Very low | 183 Ų | 183 | 136.8 Ų | 136.8 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | cis | 82.3 | 112.4 | 40.7 | -63.3 | -170.7 | 131.3 | 0 | 0 | 115.4 | ||||
| 303 | L | 30.3 | Very low | 31.6 | Very low | 180 Ų | 180 | 135.2 Ų | 135.2 | 94% | 0.942 | 78% | 0.776 | S | S | * | * | -170.9 | 151.4 | 105.3 | -100.7 | 164.8 | 0 | 0 | 0 | 110.5 | |||||
| 304 | G | 26.8 | Very low | 31.7 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -167.4 | 175.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 305 | S | 29.7 | Very low | 31.8 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -164.2 | 149.2 | 160.2 | -173.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 306 | E | 30.8 | Very low | 32 | Very low | 182 Ų | 182 | 132.4 Ų | 132.4 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -77.4 | -175 | 162.6 | -54.3 | 179.8 | 111.8 | 0 | 0 | 109.1 | ||||
| 307 | A | 30.6 | Very low | 32 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | cis | -157.3 | -164.3 | 19.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 308 | R | 30.7 | Very low | 31.2 | Very low | 244 Ų | 244 | 131 Ų | 131 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | trans | -85.7 | 159.8 | -174.2 | -57.5 | 166.4 | 169.8 | 166.7 | -5.8 | 113.8 | ||||
| 309 | S | 29.1 | Very low | 31.1 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | 142.1 | 114.2 | 113.4 | -169.5 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 310 | I | 32.5 | Very low | 31 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | 31 | 119.2 | 133.1 | -46.7 | 170.1 | 0 | 0 | 0 | 119 | ||||
| 311 | L | 30.9 | Very low | 30.7 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | -172.4 | 140 | 116.5 | -99.2 | 172.7 | 0 | 0 | 0 | 113.6 | |||||
| 312 | E | 31.5 | Very low | 30.7 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 77% | 0.771 | 78% | 0.781 | S | S | * | * | trans | -95.6 | 175.8 | 164.8 | -88.3 | -95.8 | 158 | 0 | 0 | 108.5 | ||||
| 313 | P | 47.8 | Very low | 30.6 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 62% | 0.623 | 78% | 0.776 | S | S | * | * | cis | -146.3 | -174.5 | 25 | 44.7 | -24.9 | 0 | 0 | 0 | 118.7 | ||||
| 314 | D | 30.1 | Very low | 30.4 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | trans | 74.1 | 147.3 | 148.2 | -74.5 | -37.8 | 0 | 0 | 0 | 119.7 | ||||
| 315 | T | 29.3 | Very low | 30.4 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | cis | -150.7 | 143.1 | 5.5 | -3.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 316 | S | 31.1 | Very low | 30.3 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | trans | 78.3 | 149.1 | 137.4 | 82.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 317 | N | 29.2 | Very low | 30.2 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | 62.4 | 110.7 | 161.6 | -67.5 | -44 | 0 | 0 | 0 | 119.1 | ||||
| 318 | S | 29.2 | Very low | 30 | Very low | 94 Ų | 94 | 138.5 Ų | 138.5 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | cis | 87.5 | 108.2 | 38.6 | 94 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 319 | R | 28.8 | Very low | 29.7 | Very low | 250 Ų | 250 | 132.3 Ų | 132.3 | 94% | 0.943 | 76% | 0.763 | S | S | * | * | -177 | 163.4 | 110.3 | -100.2 | -179.7 | 176.1 | -168.6 | -1.9 | 112.8 | |||||
| 320 | S | 29.1 | Very low | 29.6 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -122.8 | 142.9 | -176.2 | 47 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 321 | S | 27 | Very low | 29.4 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -172.5 | 118.9 | 159.1 | 39.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 322 | S | 28.7 | Very low | 29.8 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | 50.9 | 91.5 | 79.1 | 72.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 323 | A | 29.4 | Very low | 29.6 | Very low | 89 Ų | 89 | 137.2 Ų | 137.2 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | 69.5 | 126 | 79.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 324 | F | 26.9 | Very low | 28.6 | Very low | 191 Ų | 191 | 135.9 Ų | 135.9 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | -175.6 | 169.2 | 132.5 | -113.2 | -86.3 | 0 | 0 | 0 | 112.2 | ||||
| 325 | E | 27 | Very low | 28.3 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 77% | 0.771 | 78% | 0.783 | S | S | * | * | trans | -75.9 | 176.9 | -154.5 | -55 | 163.9 | 114.3 | 0 | 0 | 120.4 | ||||
| 326 | A | 27.1 | Very low | 28.3 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | 94.6 | 98.2 | 131.7 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 327 | A | 27.5 | Very low | 28.1 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | 92.9 | 151.4 | 110.7 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 328 | K | 27.1 | Very low | 28.2 | Very low | 199 Ų | 199 | 138.1 Ų | 138.1 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | 77.9 | 89.4 | 160.4 | -72.6 | -179.8 | 176.8 | 174.2 | 0 | 121.7 | ||||
| 329 | S | 24 | Very low | 28.2 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | 43.6 | 124.1 | 112.8 | -171.7 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 330 | R | 26.8 | Very low | 28.1 | Very low | 242 Ų | 242 | 139.3 Ų | 139.3 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | trans | -162.9 | 144.7 | 132.4 | -108.9 | 171.4 | -177.5 | -173.8 | -0.5 | 111.7 | ||||
| 331 | Q | 30 | Very low | 28 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | -98.3 | 177.5 | 161.9 | -63.6 | -173.9 | -72.2 | 0 | 0 | 110.1 | ||||
| 332 | P | 38.3 | Very low | 28.3 | Very low | 109 Ų | 109 | 146.6 Ų | 146.6 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | -139.3 | 158.8 | 84.9 | 36.2 | -20.8 | 0 | 0 | 0 | 116.4 | |||||
| 333 | D | 28.2 | Very low | 28.1 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | 37 | 139 | 145.8 | -45.5 | -30.8 | 0 | 0 | 0 | 122.4 | ||||
| 334 | G | 26 | Very low | 28 | Very low | 68 Ų | 68 | 146.4 Ų | 146.4 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | cis | 165.8 | 172.9 | -4.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 335 | C | 23.7 | Very low | 28 | Very low | 131 Ų | 131 | 145.8 Ų | 145.8 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | trans | 68.8 | 144.5 | 176.1 | -101.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 336 | V | 28.6 | Very low | 28.3 | Very low | 132 Ų | 132 | 142 Ų | 142 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | cis | -144.1 | 149.1 | 0.5 | -150.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 337 | D | 27.2 | Very low | 28.7 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | trans | -89.9 | 163.3 | 165.9 | -85.5 | -55.8 | 0 | 0 | 0 | 112.8 | ||||
| 338 | P | 30.7 | Very low | 29.2 | Very low | 125 Ų | 125 | 145.2 Ų | 145.2 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | -134.5 | 136.2 | 123.2 | 36.7 | -27.9 | 0 | 0 | 0 | 115 | |||||
| 339 | V | 29.7 | Very low | 30.3 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -71.8 | 144.6 | 175.1 | 174.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 340 | R | 27.6 | Very low | 32.4 | Very low | 237 Ų | 237 | 142.4 Ų | 142.4 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | -131 | 145 | 155.4 | -167.1 | 166.8 | 179.2 | 168.1 | -0.4 | 111.5 | ||||
| 341 | Q | 26.8 | Very low | 34.6 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -85.9 | 163.3 | -160.2 | -62 | 143.2 | -58.5 | 0 | 0 | 114.9 | ||||
| 342 | Q | 33.6 | Very low | 36.8 | Very low | 200 Ų | 200 | 125.8 Ų | 125.8 | 94% | 0.935 | 74% | 0.742 | S | S | * | * | trans | -80.9 | 124.5 | 168 | -68.2 | 176 | -25.9 | 0 | 0 | 112.2 | ||||
| 343 | S | 24.7 | Very low | 38.3 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | -174.1 | 142.7 | 150.1 | 53.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 344 | G | 27.6 | Very low | 40.5 | Very low | 71 Ų | 71 | 119.6 Ų | 119.6 | 73% | 0.732 | 72% | 0.718 | S | S | * | * | cis | 147.6 | 83.6 | -1.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 345 | N | 26.4 | Very low | 43 | Very low | 179 Ų | 179 | 118.5 Ų | 118.5 | 96% | 0.957 | 69% | 0.693 | S | S | * | * | trans | -160.7 | 151.2 | 168.3 | -114.1 | -12.8 | 0 | 0 | 0 | 110.8 | ||||
| 346 | A | 33.5 | Very low | 46 | Very low | 85 Ų | 85 | 115.5 Ų | 115.5 | 70% | 0.702 | 67% | 0.666 | S | S | * | * | trans | -104.3 | -179.9 | -170 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 347 | N | 34.3 | Very low | 48.8 | Very low | 164 Ų | 164 | 113.8 Ų | 113.8 | 88% | 0.877 | 65% | 0.649 | S | S | * | * | trans | 70.9 | 29.8 | 170.5 | -62.2 | 4.7 | 0 | 0 | 0 | 117.7 | ||||
| 348 | A | 37.7 | Very low | 51.8 | Low | 90 Ų | 90 | 111.5 Ų | 111.5 | 74% | 0.744 | 63% | 0.63 | S | S | * | * | trans | -106.2 | 86.6 | 150.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | T350 | A348-T350 PolarHBondContact O-N 2.84Š| ||
| 349 | E | 51.6 | Low | 54.5 | Low | 126 Ų | 126 | 112.2 Ų | 112.2 | 59% | 0.589 | 62% | 0.62 | S | S | * | * | trans | -63.3 | 104.9 | 175.4 | -70.9 | -170.6 | 143.9 | 0 | 0 | 110.6 | R379 | E349-R379 PolarHBondContact O-NH2 2.94Š| ||
| 350 | T | 68 | Low | 57.2 | Low | 130 Ų | 130 | 107 Ų | 107 | 80% | 0.798 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 138.3 | 174.3 | 49 | 0 | 0 | 0 | 0 | 110.6 | A348 | A348-T350 PolarHBondContact O-N 2.84Š|
| 351 | L | 73.1 | Confident | 59.7 | Low | 46 Ų | 46 | 101.9 Ų | 101.9 | 24% | 0.241 | 59% | 0.585 | C | S | . | * | P | Polyproline II helix | trans | -58.2 | 149.6 | 175.9 | -60.7 | 169.6 | 0 | 0 | 0 | 110.8 | W355 Q357 Y367 R379 P380 | L351-W355 HydrophobicContact CB-CB 4.11Å; L351-Q357 HydrophobicContact CD1-CB 3.76Å; L351-Y367 HydrophobicContact CD1-CD1 4.46Å; L351-Y367 HydrophobicContact CD2-CD1 3.96Å; L351-Y367 HydrophobicContact CD2-CE1 3.95Å; L351-R379 HydrophobicContact CD2-CG 4.23Å; L351-P380 HydrophobicContact CD2-CG 4.05Å |
| 352 | P | 75.5 | Confident | 62.2 | Low | 25 Ų | 25 | 100.8 Ų | 100.8 | 16% | 0.162 | 58% | 0.58 | C | S | . | * | P | Polyproline II helix | trans | -59.7 | 154.1 | 177.3 | -22.7 | 35.1 | 0 | 0 | 0 | 112.2 | G354 W355 P380 Q381 | P352-G354 PolarHBondContact O-N 3.01Å; P352-W355 WeakPolarHBondContact O-CB 3.33Å; P352-W355 PolarHBondContact O-N 2.83Å; P352-P380 WeakPolarHBondContact CD-O 3.5Å; P352-P380 HydrophobicContact CG-CB 4.08Å; P352-P380 HydrophobicContact CG-CG 4.38Å; P352-Q381 VanDerWaalsContact CG-O 3.32Å; P352-Q381 WeakPolarHBondContact CG-O 3.4Å |
| 353 | S | 70.9 | Confident | 64.3 | Low | 101 Ų | 101 | 93.4 Ų | 93.4 | 71% | 0.706 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | 127.1 | -173.1 | -168.9 | 0 | 0 | 0 | 0 | 113.3 | N371 R389 | S353-N371 PolarHBondContact O-ND2 2.84Å; S353-R389 PolarHBondContact O-NH1 3.46Å |
| 354 | G | 73.2 | Confident | 66.9 | Low | 31 Ų | 31 | 94 Ų | 94 | 32% | 0.32 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 10.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | P352 H370 N371 | P352-G354 PolarHBondContact O-N 3.01Å; G354-H370 WeakPolarHBondContact O-CB 3.35Å; G354-H370 PolarHBondContact O-CD2 2.87Å; G354-H370 PolarHBondContact O-N 3.44Å; G354-N371 WeakPolarHBondContact CA-ND2 3.48Å; G354-N371 PolarHBondContact O-ND2 3.11Å |
| 355 | W | 79.4 | Confident | 69.6 | Low | 45 Ų | 45 | 92.7 Ų | 92.7 | 17% | 0.17 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 135 | 168.1 | -75.4 | 76.7 | 0 | 0 | 0 | 111.9 | L351 P352 V368 D369 T376 P380 | L351-W355 HydrophobicContact CB-CB 4.11Å; P352-W355 WeakPolarHBondContact O-CB 3.33Å; P352-W355 PolarHBondContact O-N 2.83Å; W355-V368 CarbonylContact C-O 3.59Å; W355-V368 WeakPolarHBondContact CA-O 3.3Å; W355-D369 HydrophobicContact CD2-CB 3.81Å; W355-D369 VanDerWaalsContact CE2-CG 3.49Å; W355-D369 HydrophobicContact CE3-CB 3.93Å; W355-D369 HydrophobicContact CH2-CB 3.79Å; W355-D369 HydrophobicContact CZ2-CB 3.58Å; W355-D369 VanDerWaalsContact CZ2-OD2 3.27Å; W355-D369 WeakPolarHBondContact CZ2-OD2 3.26Å; W355-D369 HydrophobicContact CZ3-CB 3.93Å; W355-D369 PolarHBondContact NE1-OD2 3.16Å; W355-T376 HydrophobicContact CH2-CG2 3.77Å; W355-T376 HydrophobicContact CZ3-CG2 3.62Å; W355-P380 HydrophobicContact CB-CG 4.07Å; W355-P380 HydrophobicContact CD2-CB 3.58Å; W355-P380 HydrophobicContact CD2-CG 3.53Å; W355-P380 HydrophobicContact CE3-CB 3.78Å; W355-P380 HydrophobicContact CE3-CG 3.49Å; W355-P380 VanDerWaalsContact CE3-CG 3.49Å; W355-P380 HydrophobicContact CG-CB 4.1Å; W355-P380 HydrophobicContact CG-CG 3.84Å; W355-P380 HydrophobicContact CH2-CB 3.99Å; W355-P380 HydrophobicContact CZ2-CB 3.86Å; W355-P380 HydrophobicContact CZ3-CB 3.97Å; W355-P380 HydrophobicContact CZ3-CG 4.01Å |
| 356 | E | 85.7 | Confident | 72.3 | Confident | 69 Ų | 69 | 86.7 Ų | 86.7 | 32% | 0.322 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 136.1 | 177.5 | -172.7 | -164 | 147.8 | 0 | 0 | 110.3 | R358 Y367 V368 H370 | E356-R358 HydrophobicContact CG-CG 4.36Å; E356-R358 VanDerWaalsContact OE1-CG 3.31Å; E356-R358 WeakPolarHBondContact OE1-CG 3.33Å; E356-R358 IonicContact OE1-CZ 3.96Å; E356-R358 IonicContact OE1-NE 2.73Å; E356-R358 PolarHBondContact OE1-NE 3.44Å; E356-R358 IonicContact OE1-NH2 3.31Å; E356-R358 PolarHBondContact OE1-NH2 3.32Å; E356-R358 IonicContact OE2-CZ 3.27Å; E356-R358 IonicContact OE2-NE 2.74Å; E356-R358 PolarHBondContact OE2-NE 3.5Å; E356-R358 IonicContact OE2-NH2 3.19Å; E356-R358 PolarHBondContact OE2-NH2 3.28Å; E356-Y367 CarbonylContact O-C 3.58Å; E356-Y367 WeakPolarHBondContact O-CA 3.46Å; E356-V368 HydrophobicContact CB-CB 4.42Å; E356-V368 PolarHBondContact N-O 3.48Å; E356-V368 PolarHBondContact O-N 3.09Å; E356-H370 WeakPolarHBondContact CB-NE2 3.49Å; E356-H370 IonicContact OE2-CD2 2.77Å; E356-H370 IonicContact OE2-CE1 2.76Å; E356-H370 PolarHBondContact OE2-CE1 3.35Å; E356-H370 VanDerWaalsContact OE2-CE1 3.31Å; E356-H370 IonicContact OE2-NE2 3.36Å; E356-H370 PolarHBondContact OE2-NE2 3.05Å |
| 357 | Q | 88.6 | Confident | 74.8 | Confident | 95 Ų | 95 | 83.8 Ų | 83.8 | 44% | 0.444 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 124.8 | 171.4 | -179.8 | 179.9 | -14.4 | 0 | 0 | 110.4 | L351 T365 Y367 | L351-Q357 HydrophobicContact CD1-CB 3.76Å; Q357-T365 HydrophobicContact CG-CG2 3.51Å; Q357-T365 VanDerWaalsContact NE2-CG2 3.29Å; Q357-Y367 HydrophobicContact CB-CD1 3.9Å; Q357-Y367 HydrophobicContact CB-CE1 3.93Å; Q357-Y367 HydrophobicContact CG-CD1 4.05Å; Q357-Y367 HydrophobicContact CG-CE1 3.71Å |
| 358 | R | 89.8 | Confident | 77 | Confident | 96 Ų | 96 | 76.6 Ų | 76.6 | 36% | 0.362 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 175.9 | 175.4 | -66.9 | -168.5 | -178.9 | 165.2 | 5.7 | 110.9 | E356 T365 Y366 V368 | E356-R358 HydrophobicContact CG-CG 4.36Å; E356-R358 VanDerWaalsContact OE1-CG 3.31Å; E356-R358 WeakPolarHBondContact OE1-CG 3.33Å; E356-R358 IonicContact OE1-CZ 3.96Å; E356-R358 IonicContact OE1-NE 2.73Å; E356-R358 PolarHBondContact OE1-NE 3.44Å; E356-R358 IonicContact OE1-NH2 3.31Å; E356-R358 PolarHBondContact OE1-NH2 3.32Å; E356-R358 IonicContact OE2-CZ 3.27Å; E356-R358 IonicContact OE2-NE 2.74Å; E356-R358 PolarHBondContact OE2-NE 3.5Å; E356-R358 IonicContact OE2-NH2 3.19Å; E356-R358 PolarHBondContact OE2-NH2 3.28Å; R358-T365 WeakPolarHBondContact O-CA 3.44Å; R358-Y366 CarbonylContact C-O 3.36Å; R358-Y366 HydrophobicContact CB-CD1 4.22Å; R358-Y366 HydrophobicContact CB-CD2 4.25Å; R358-Y366 HydrophobicContact CB-CE1 3.73Å; R358-Y366 HydrophobicContact CB-CE2 3.76Å; R358-Y366 HydrophobicContact CB-CG 4.46Å; R358-Y366 VanDerWaalsContact CB-CZ 3.46Å; R358-Y366 WeakPolarHBondContact CD-OH 3.42Å; R358-Y366 HydrophobicContact CG-CE2 4.4Å; R358-Y366 PolarHBondContact N-O 3.4Å; R358-Y366 PolarHBondContact O-N 2.93Å; R358-V368 HydrophobicContact CG-CG2 4.03Å |
| 359 | K | 87.5 | Confident | 79 | Confident | 141 Ų | 141 | 72.9 Ų | 72.9 | 61% | 0.613 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 143.8 | 170.9 | -66.5 | -174.7 | 176.2 | -171.7 | 0 | 110.3 | R364 Y366 | K359-R364 CarbonylContact C-O 3.55Å; K359-R364 VanDerWaalsContact CA-O 3.28Å; K359-R364 WeakPolarHBondContact CA-O 3.45Å; K359-Y366 VanDerWaalsContact C-CE1 3.42Å; K359-Y366 WeakPolarHBondContact O-CE1 3.38Å |
| 360 | D | 85.3 | Confident | 80.2 | Confident | 20 Ų | 20 | 71.2 Ų | 71.2 | 11% | 0.107 | 38% | 0.376 | C | S | . | . | trans | -77.4 | 171 | 173.1 | 90.1 | -23.4 | 0 | 0 | 0 | 111.1 | H362 G363 R364 Y366 W377 | D360-H362 PolarHBondContact O-N 3.45Å; D360-H362 VanDerWaalsContact OD1-C 3.28Å; D360-H362 VanDerWaalsContact OD1-CA 3.31Å; D360-H362 WeakPolarHBondContact OD1-CA 3.27Å; D360-H362 WeakPolarHBondContact OD1-CB 3.37Å; D360-H362 PolarHBondContact OD1-N 3.43Å; D360-H362 IonicContact OD1-ND1 3.41Å; D360-H362 IonicContact OD2-CG 2.7Å; D360-H362 IonicContact OD2-ND1 2.73Å; D360-H362 PolarHBondContact OD2-ND1 2.97Å; D360-H362 VanDerWaalsContact OD2-ND1 3.09Å; D360-G363 PolarHBondContact O-N 3.3Å; D360-G363 PolarHBondContact OD1-N 2.96Å; D360-G363 VanDerWaalsContact OD1-N 3.13Å; D360-R364 PolarHBondContact N-O 3.34Å; D360-R364 WeakPolarHBondContact OD1-CB 3.44Å; D360-R364 PolarHBondContact OD1-N 2.91Å; D360-R364 IonicContact OD1-NE 3.51Å; D360-R364 IonicContact OD2-CZ 2.7Å; D360-R364 VanDerWaalsContact OD2-CZ 3.3Å; D360-R364 IonicContact OD2-NE 3.39Å; D360-R364 PolarHBondContact OD2-NE 3.25Å; D360-R364 IonicContact OD2-NH2 3.13Å; D360-R364 PolarHBondContact OD2-NH2 3.24Å; D360-Y366 HydrophobicContact CB-CD1 4.21Å; D360-Y366 HydrophobicContact CB-CE1 4.27Å; D360-W377 HydrophobicContact CB-CH2 4.02Å; D360-W377 HydrophobicContact CB-CZ3 4.22Å | ||
| 361 | P | 80.8 | Confident | 80.3 | Confident | 131 Ų | 131 | 68.1 Ų | 68.1 | 85% | 0.851 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -12.8 | 177.9 | -26.1 | 36.6 | 0 | 0 | 0 | 115.1 | ||
| 362 | H | 79.5 | Confident | 80.1 | Confident | 150 Ų | 150 | 69.3 Ų | 69.3 | 69% | 0.694 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 9.2 | 175.5 | -46.1 | 96.6 | 0 | 0 | 0 | 112.1 | D360 R364 | D360-H362 PolarHBondContact O-N 3.45Å; D360-H362 VanDerWaalsContact OD1-C 3.28Å; D360-H362 VanDerWaalsContact OD1-CA 3.31Å; D360-H362 WeakPolarHBondContact OD1-CA 3.27Å; D360-H362 WeakPolarHBondContact OD1-CB 3.37Å; D360-H362 PolarHBondContact OD1-N 3.43Å; D360-H362 IonicContact OD1-ND1 3.41Å; D360-H362 IonicContact OD2-CG 2.7Å; D360-H362 IonicContact OD2-ND1 2.73Å; D360-H362 PolarHBondContact OD2-ND1 2.97Å; D360-H362 VanDerWaalsContact OD2-ND1 3.09Å; H362-R364 VanDerWaalsContact C-N 3.29Å; H362-R364 PolarHBondContact O-N 3.13Å |
| 363 | G | 77.7 | Confident | 80.1 | Confident | 45 Ų | 45 | 78.9 Ų | 78.9 | 46% | 0.464 | 40% | 0.397 | S | S | . | . | S | Bend | trans | 80.1 | -0.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | D360 | D360-G363 PolarHBondContact O-N 3.3Å; D360-G363 PolarHBondContact OD1-N 2.96Å; D360-G363 VanDerWaalsContact OD1-N 3.13Å |
| 364 | R | 78.9 | Confident | 80.3 | Confident | 133 Ų | 133 | 77.4 Ų | 77.4 | 50% | 0.502 | 38% | 0.383 | S | S | . | . | trans | -74.1 | 131.1 | -178 | -58.6 | -178.7 | -61.3 | 160.3 | 4 | 110.2 | K359 D360 H362 W377 | K359-R364 CarbonylContact C-O 3.55Å; K359-R364 VanDerWaalsContact CA-O 3.28Å; K359-R364 WeakPolarHBondContact CA-O 3.45Å; D360-R364 PolarHBondContact N-O 3.34Å; D360-R364 WeakPolarHBondContact OD1-CB 3.44Å; D360-R364 PolarHBondContact OD1-N 2.91Å; D360-R364 IonicContact OD1-NE 3.51Å; D360-R364 IonicContact OD2-CZ 2.7Å; D360-R364 VanDerWaalsContact OD2-CZ 3.3Å; D360-R364 IonicContact OD2-NE 3.39Å; D360-R364 PolarHBondContact OD2-NE 3.25Å; D360-R364 IonicContact OD2-NH2 3.13Å; D360-R364 PolarHBondContact OD2-NH2 3.24Å; H362-R364 VanDerWaalsContact C-N 3.29Å; H362-R364 PolarHBondContact O-N 3.13Å; R364-W377 HydrophobicContact CB-CE3 4.44Å; R364-W377 HydrophobicContact CB-CZ3 3.91Å | ||
| 365 | T | 84.5 | Confident | 80.6 | Confident | 44 Ų | 44 | 80.4 Ų | 80.4 | 27% | 0.27 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 133 | 178.1 | -60 | 0 | 0 | 0 | 0 | 111.1 | Q357 R358 Y367 | Q357-T365 HydrophobicContact CG-CG2 3.51Å; Q357-T365 VanDerWaalsContact NE2-CG2 3.29Å; R358-T365 WeakPolarHBondContact O-CA 3.44Å; T365-Y367 HydrophobicContact CG2-CE1 4.11Å; T365-Y367 HydrophobicContact CG2-CE2 3.86Å |
| 366 | Y | 83.4 | Confident | 80.3 | Confident | 53 Ų | 53 | 80.4 Ų | 80.4 | 21% | 0.208 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 159 | 164.8 | 70.7 | -88.7 | 0 | 0 | 0 | 110.1 | R358 K359 D360 V368 T375 T376 W377 | R358-Y366 CarbonylContact C-O 3.36Å; R358-Y366 HydrophobicContact CB-CD1 4.22Å; R358-Y366 HydrophobicContact CB-CD2 4.25Å; R358-Y366 HydrophobicContact CB-CE1 3.73Å; R358-Y366 HydrophobicContact CB-CE2 3.76Å; R358-Y366 HydrophobicContact CB-CG 4.46Å; R358-Y366 VanDerWaalsContact CB-CZ 3.46Å; R358-Y366 WeakPolarHBondContact CD-OH 3.42Å; R358-Y366 HydrophobicContact CG-CE2 4.4Å; R358-Y366 PolarHBondContact N-O 3.4Å; R358-Y366 PolarHBondContact O-N 2.93Å; K359-Y366 VanDerWaalsContact C-CE1 3.42Å; K359-Y366 WeakPolarHBondContact O-CE1 3.38Å; D360-Y366 HydrophobicContact CB-CD1 4.21Å; D360-Y366 HydrophobicContact CB-CE1 4.27Å; Y366-V368 HydrophobicContact CD2-CG2 4.08Å; Y366-V368 HydrophobicContact CE2-CG2 3.6Å; Y366-T375 HydrophobicContact CD2-CG2 4.17Å; Y366-T375 HydrophobicContact CE2-CG2 4.11Å; Y366-T376 CarbonylContact C-O 3.58Å; Y366-T376 WeakPolarHBondContact CA-O 3.48Å; Y366-W377 HydrophobicContact CD1-CZ3 4.34Å |
| 367 | Y | 85.5 | Confident | 80 | Confident | 25 Ų | 25 | 83.8 Ų | 83.8 | 10% | 0.098 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 129.7 | -176.7 | -53.9 | -91 | 0 | 0 | 0 | 109 | L351 E356 Q357 T365 T375 T376 E378 R379 | L351-Y367 HydrophobicContact CD1-CD1 4.46Å; L351-Y367 HydrophobicContact CD2-CD1 3.96Å; L351-Y367 HydrophobicContact CD2-CE1 3.95Å; E356-Y367 CarbonylContact O-C 3.58Å; E356-Y367 WeakPolarHBondContact O-CA 3.46Å; Q357-Y367 HydrophobicContact CB-CD1 3.9Å; Q357-Y367 HydrophobicContact CB-CE1 3.93Å; Q357-Y367 HydrophobicContact CG-CD1 4.05Å; Q357-Y367 HydrophobicContact CG-CE1 3.71Å; T365-Y367 HydrophobicContact CG2-CE1 4.11Å; T365-Y367 HydrophobicContact CG2-CE2 3.86Å; Y367-T375 VanDerWaalsContact O-CA 3.3Å; Y367-T375 WeakPolarHBondContact O-CA 3.5Å; Y367-T376 PolarHBondContact N-O 2.92Å; Y367-T376 PolarHBondContact O-N 3.09Å; Y367-E378 VanDerWaalsContact CD2-C 3.47Å; Y367-E378 WeakPolarHBondContact CD2-O 3.38Å; Y367-R379 HydrophobicContact CE1-CB 4.2Å; Y367-R379 HydrophobicContact CE1-CG 3.91Å; Y367-R379 VanDerWaalsContact CE2-CA 3.47Å; Y367-R379 HydrophobicContact CE2-CB 3.87Å; Y367-R379 HydrophobicContact CE2-CG 4.48Å |
| 368 | V | 80.8 | Confident | 79.3 | Confident | 13 Ų | 13 | 86.4 Ų | 86.4 | 8% | 0.079 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 123.9 | 176.3 | -174.8 | 0 | 0 | 0 | 0 | 108.2 | W355 E356 R358 Y366 T375 | W355-V368 CarbonylContact C-O 3.59Å; W355-V368 WeakPolarHBondContact CA-O 3.3Å; E356-V368 HydrophobicContact CB-CB 4.42Å; E356-V368 PolarHBondContact N-O 3.48Å; E356-V368 PolarHBondContact O-N 3.09Å; R358-V368 HydrophobicContact CG-CG2 4.03Å; Y366-V368 HydrophobicContact CD2-CG2 4.08Å; Y366-V368 HydrophobicContact CE2-CG2 3.6Å; V368-T375 HydrophobicContact CG1-CG2 4.45Å; V368-T375 HydrophobicContact CG2-CG2 4.06Å |
| 369 | D | 79.5 | Confident | 78.8 | Confident | 11 Ų | 11 | 87.9 Ų | 87.9 | 6% | 0.059 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 104.4 | 165.7 | -172 | -16.8 | 0 | 0 | 0 | 108.2 | W355 N371 T372 R373 T374 | W355-D369 HydrophobicContact CD2-CB 3.81Å; W355-D369 VanDerWaalsContact CE2-CG 3.49Å; W355-D369 HydrophobicContact CE3-CB 3.93Å; W355-D369 HydrophobicContact CH2-CB 3.79Å; W355-D369 HydrophobicContact CZ2-CB 3.58Å; W355-D369 VanDerWaalsContact CZ2-OD2 3.27Å; W355-D369 WeakPolarHBondContact CZ2-OD2 3.26Å; W355-D369 HydrophobicContact CZ3-CB 3.93Å; W355-D369 PolarHBondContact NE1-OD2 3.16Å; D369-N371 PolarHBondContact O-N 3.05Å; D369-N371 WeakPolarHBondContact OD1-CA 3.07Å; D369-N371 WeakPolarHBondContact OD1-CB 3.44Å; D369-N371 VanDerWaalsContact OD1-CG 3.32Å; D369-N371 PolarHBondContact OD1-N 3Å; D369-N371 PolarHBondContact OD1-ND2 3.28Å; D369-T372 VanDerWaalsContact CB-OG1 3.25Å; D369-T372 WeakPolarHBondContact CB-OG1 3.14Å; D369-T372 PolarHBondContact OD1-N 3.2Å; D369-T372 PolarHBondContact OD2-OG1 3.19Å; D369-R373 WeakPolarHBondContact O-CA 3.33Å; D369-R373 PolarHBondContact O-N 2.91Å; D369-T374 PolarHBondContact N-O 3.42Å; D369-T374 PolarHBondContact O-N 3.31Å |
| 370 | H | 76.3 | Confident | 78 | Confident | 92 Ų | 92 | 81.8 Ų | 81.8 | 43% | 0.426 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -15.7 | 177.3 | -70.5 | -82.6 | 0 | 0 | 0 | 113.1 | G354 E356 | G354-H370 WeakPolarHBondContact O-CB 3.35Å; G354-H370 PolarHBondContact O-CD2 2.87Å; G354-H370 PolarHBondContact O-N 3.44Å; E356-H370 WeakPolarHBondContact CB-NE2 3.49Å; E356-H370 IonicContact OE2-CD2 2.77Å; E356-H370 IonicContact OE2-CE1 2.76Å; E356-H370 PolarHBondContact OE2-CE1 3.35Å; E356-H370 VanDerWaalsContact OE2-CE1 3.31Å; E356-H370 IonicContact OE2-NE2 3.36Å; E356-H370 PolarHBondContact OE2-NE2 3.05Å |
| 371 | N | 70.5 | Confident | 77.5 | Confident | 64 Ų | 64 | 86.9 Ų | 86.9 | 34% | 0.342 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -41.4 | -176.7 | -41.5 | -89.1 | 0 | 0 | 0 | 111.2 | S353 G354 D369 R389 | S353-N371 PolarHBondContact O-ND2 2.84Å; G354-N371 WeakPolarHBondContact CA-ND2 3.48Å; G354-N371 PolarHBondContact O-ND2 3.11Å; D369-N371 PolarHBondContact O-N 3.05Å; D369-N371 WeakPolarHBondContact OD1-CA 3.07Å; D369-N371 WeakPolarHBondContact OD1-CB 3.44Å; D369-N371 VanDerWaalsContact OD1-CG 3.32Å; D369-N371 PolarHBondContact OD1-N 3Å; D369-N371 PolarHBondContact OD1-ND2 3.28Å; N371-R389 VanDerWaalsContact CG-CZ 3.44Å; N371-R389 PolarHBondContact ND2-NH1 3.19Å; N371-R389 PolarHBondContact OD1-NH1 3.04Å; N371-R389 PolarHBondContact OD1-NH2 3.44Å |
| 372 | T | 69.4 | Low | 77.5 | Confident | 71 Ų | 71 | 84.1 Ų | 84.1 | 44% | 0.436 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -11.2 | 173.3 | 58.8 | 0 | 0 | 0 | 0 | 113.4 | D369 T374 | D369-T372 VanDerWaalsContact CB-OG1 3.25Å; D369-T372 WeakPolarHBondContact CB-OG1 3.14Å; D369-T372 PolarHBondContact OD1-N 3.2Å; D369-T372 PolarHBondContact OD2-OG1 3.19Å; T372-T374 VanDerWaalsContact C-N 3.28Å; T372-T374 PolarHBondContact O-N 3.13Å; T372-T374 PolarHBondContact OG1-N 2.81Å; T372-T374 PolarHBondContact OG1-OG1 3.03Å |
| 373 | R | 75.9 | Confident | 77.8 | Confident | 227 Ų | 227 | 79.2 Ų | 79.2 | 86% | 0.857 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 31.2 | -171.5 | -54.5 | -178.4 | 179.4 | 179.7 | 0.4 | 113.8 | D369 | D369-R373 WeakPolarHBondContact O-CA 3.33Å; D369-R373 PolarHBondContact O-N 2.91Å |
| 374 | T | 73.7 | Confident | 78.4 | Confident | 69 Ų | 69 | 77.6 Ų | 77.6 | 42% | 0.423 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 167.1 | 177.6 | 63.1 | 0 | 0 | 0 | 0 | 112.4 | D369 T372 | D369-T374 PolarHBondContact N-O 3.42Å; D369-T374 PolarHBondContact O-N 3.31Å; T372-T374 VanDerWaalsContact C-N 3.28Å; T372-T374 PolarHBondContact O-N 3.13Å; T372-T374 PolarHBondContact OG1-N 2.81Å; T372-T374 PolarHBondContact OG1-OG1 3.03Å |
| 375 | T | 80.5 | Confident | 78.9 | Confident | 95 Ų | 95 | 76.6 Ų | 76.6 | 58% | 0.583 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 145.5 | 171 | 58.6 | 0 | 0 | 0 | 0 | 110.6 | Y366 Y367 V368 | Y366-T375 HydrophobicContact CD2-CG2 4.17Å; Y366-T375 HydrophobicContact CE2-CG2 4.11Å; Y367-T375 VanDerWaalsContact O-CA 3.3Å; Y367-T375 WeakPolarHBondContact O-CA 3.5Å; V368-T375 HydrophobicContact CG1-CG2 4.45Å; V368-T375 HydrophobicContact CG2-CG2 4.06Å |
| 376 | T | 73 | Confident | 79.2 | Confident | 45 Ų | 45 | 75.9 Ų | 75.9 | 28% | 0.276 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 155.4 | 174.1 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | W355 Y366 Y367 E378 | W355-T376 HydrophobicContact CH2-CG2 3.77Å; W355-T376 HydrophobicContact CZ3-CG2 3.62Å; Y366-T376 CarbonylContact C-O 3.58Å; Y366-T376 WeakPolarHBondContact CA-O 3.48Å; Y367-T376 PolarHBondContact N-O 2.92Å; Y367-T376 PolarHBondContact O-N 3.09Å; T376-E378 VanDerWaalsContact C-N 3.35Å; T376-E378 WeakPolarHBondContact CG2-O 3.44Å; T376-E378 PolarHBondContact OG1-N 2.83Å; T376-E378 VanDerWaalsContact OG1-N 3.15Å |
| 377 | W | 78.6 | Confident | 79.5 | Confident | 139 Ų | 139 | 74.5 Ų | 74.5 | 53% | 0.527 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -82.8 | -15.9 | 174.1 | -55.5 | 97.6 | 0 | 0 | 0 | 112.2 | D360 R364 Y366 | D360-W377 HydrophobicContact CB-CH2 4.02Å; D360-W377 HydrophobicContact CB-CZ3 4.22Å; R364-W377 HydrophobicContact CB-CE3 4.44Å; R364-W377 HydrophobicContact CB-CZ3 3.91Å; Y366-W377 HydrophobicContact CD1-CZ3 4.34Å |
| 378 | E | 74.1 | Confident | 79.8 | Confident | 151 Ų | 151 | 77 Ų | 77 | 71% | 0.706 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -89.5 | 141.6 | -178.9 | -60 | -170.5 | 160.8 | 0 | 0 | 112.1 | Y367 T376 | Y367-E378 VanDerWaalsContact CD2-C 3.47Å; Y367-E378 WeakPolarHBondContact CD2-O 3.38Å; T376-E378 VanDerWaalsContact C-N 3.35Å; T376-E378 WeakPolarHBondContact CG2-O 3.44Å; T376-E378 PolarHBondContact OG1-N 2.83Å; T376-E378 VanDerWaalsContact OG1-N 3.15Å |
| 379 | R | 78.6 | Confident | 80.2 | Confident | 126 Ų | 126 | 79.6 Ų | 79.6 | 48% | 0.475 | 40% | 0.396 | S | S | . | . | trans | -70.8 | 126.3 | 179.7 | -172.7 | 177.4 | -179.7 | 177.8 | 0.6 | 110.1 | E349 L351 Y367 Q381 | E349-R379 PolarHBondContact O-NH2 2.94Å; L351-R379 HydrophobicContact CD2-CG 4.23Å; Y367-R379 HydrophobicContact CE1-CB 4.2Å; Y367-R379 HydrophobicContact CE1-CG 3.91Å; Y367-R379 VanDerWaalsContact CE2-CA 3.47Å; Y367-R379 HydrophobicContact CE2-CB 3.87Å; Y367-R379 HydrophobicContact CE2-CG 4.48Å; R379-Q381 PolarHBondContact O-N 2.8Å; R379-Q381 VanDerWaalsContact O-N 3.14Å | ||
| 380 | P | 71.8 | Confident | 80.7 | Confident | 14 Ų | 14 | 83.3 Ų | 83.3 | 9% | 0.091 | 41% | 0.409 | C | S | . | . | trans | -65.3 | 115 | 176.1 | 30 | -38.8 | 0 | 0 | 0 | 110.3 | L351 P352 W355 | L351-P380 HydrophobicContact CD2-CG 4.05Å; P352-P380 WeakPolarHBondContact CD-O 3.5Å; P352-P380 HydrophobicContact CG-CB 4.08Å; P352-P380 HydrophobicContact CG-CG 4.38Å; W355-P380 HydrophobicContact CB-CG 4.07Å; W355-P380 HydrophobicContact CD2-CB 3.58Å; W355-P380 HydrophobicContact CD2-CG 3.53Å; W355-P380 HydrophobicContact CE3-CB 3.78Å; W355-P380 HydrophobicContact CE3-CG 3.49Å; W355-P380 VanDerWaalsContact CE3-CG 3.49Å; W355-P380 HydrophobicContact CG-CB 4.1Å; W355-P380 HydrophobicContact CG-CG 3.84Å; W355-P380 HydrophobicContact CH2-CB 3.99Å; W355-P380 HydrophobicContact CZ2-CB 3.86Å; W355-P380 HydrophobicContact CZ3-CB 3.97Å; W355-P380 HydrophobicContact CZ3-CG 4.01Å | ||
| 381 | Q | 74.6 | Confident | 81.3 | Confident | 127 Ų | 127 | 83 Ų | 83 | 59% | 0.593 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 152.3 | 171.5 | -65.9 | -179 | 0.8 | 0 | 0 | 110.7 | P352 R379 R411 | P352-Q381 VanDerWaalsContact CG-O 3.32Å; P352-Q381 WeakPolarHBondContact CG-O 3.4Å; R379-Q381 PolarHBondContact O-N 2.8Å; R379-Q381 VanDerWaalsContact O-N 3.14Å; Q381-R411 PolarHBondContact O-NH2 3.3Å |
| 382 | P | 81 | Confident | 82.1 | Confident | 73 Ų | 73 | 81.5 Ų | 81.5 | 47% | 0.474 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 164 | 167.4 | 26.4 | -34.4 | 0 | 0 | 0 | 112.1 | ||
| 383 | L | 86.1 | Confident | 83.1 | Confident | 46 Ų | 46 | 86.6 Ų | 86.6 | 24% | 0.241 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 150.2 | 164.3 | -64.1 | 176.4 | 0 | 0 | 0 | 109.1 | W387 R389 Y399 R411 P412 | L383-W387 HydrophobicContact CB-CB 4.22Å; L383-R389 HydrophobicContact CD1-CB 4.17Å; L383-Y399 HydrophobicContact CD1-CD1 4.26Å; L383-Y399 HydrophobicContact CD1-CE1 4.42Å; L383-Y399 HydrophobicContact CD2-CD1 4.1Å; L383-Y399 HydrophobicContact CD2-CE1 3.93Å; L383-R411 HydrophobicContact CD2-CG 4.12Å; L383-P412 HydrophobicContact CD2-CG 4.13Å |
| 384 | P | 90.9 | Very high | 83.8 | Confident | 12 Ų | 12 | 84.2 Ų | 84.2 | 8% | 0.078 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 154.7 | 174.5 | -21.1 | 33.5 | 0 | 0 | 0 | 112 | G386 W387 P412 M414 V417 | P384-G386 PolarHBondContact O-N 3.33Å; P384-W387 WeakPolarHBondContact O-CB 3.19Å; P384-W387 PolarHBondContact O-N 3.06Å; P384-W387 VanDerWaalsContact O-N 3.12Å; P384-P412 WeakPolarHBondContact CD-O 3.42Å; P384-P412 HydrophobicContact CG-CB 4.35Å; P384-M414 HydrophobicContact CB-SD 4.25Å; P384-V417 HydrophobicContact CB-CG2 4.04Å; P384-V417 HydrophobicContact CG-CG2 3.93Å |
| 385 | P | 88.9 | Confident | 84.3 | Confident | 112 Ų | 112 | 83.5 Ų | 83.5 | 73% | 0.727 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 137.9 | -179.4 | -27.4 | 35.6 | 0 | 0 | 0 | 113 | W387 | P385-W387 VanDerWaalsContact C-N 3.29Å; P385-W387 PolarHBondContact O-N 2.95Å |
| 386 | G | 89.3 | Confident | 84.6 | Confident | 29 Ų | 29 | 81.7 Ų | 81.7 | 30% | 0.299 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -21.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | P384 H402 N403 | P384-G386 PolarHBondContact O-N 3.33Å; G386-H402 PolarHBondContact O-CD2 3.21Å; G386-H402 PolarHBondContact O-N 3.35Å; G386-N403 WeakPolarHBondContact CA-ND2 3.43Å |
| 387 | W | 91.5 | Very high | 85.3 | Confident | 23 Ų | 23 | 81.8 Ų | 81.8 | 9% | 0.087 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 126.2 | -177.1 | -71.1 | 86.2 | 0 | 0 | 0 | 113.3 | L383 P384 P385 V400 D401 T408 P412 M627 | L383-W387 HydrophobicContact CB-CB 4.22Å; P384-W387 WeakPolarHBondContact O-CB 3.19Å; P384-W387 PolarHBondContact O-N 3.06Å; P384-W387 VanDerWaalsContact O-N 3.12Å; P385-W387 VanDerWaalsContact C-N 3.29Å; P385-W387 PolarHBondContact O-N 2.95Å; W387-V400 WeakPolarHBondContact CA-O 3.43Å; W387-V400 VanDerWaalsContact CE3-C 3.42Å; W387-D401 HydrophobicContact CD2-CB 3.88Å; W387-D401 HydrophobicContact CE3-CB 4.1Å; W387-D401 HydrophobicContact CG-CB 4.45Å; W387-D401 HydrophobicContact CH2-CB 4.08Å; W387-D401 HydrophobicContact CZ2-CB 3.84Å; W387-D401 HydrophobicContact CZ3-CB 4.19Å; W387-T408 HydrophobicContact CH2-CG2 3.91Å; W387-T408 HydrophobicContact CZ3-CG2 3.75Å; W387-P412 HydrophobicContact CB-CG 3.95Å; W387-P412 HydrophobicContact CD2-CB 3.79Å; W387-P412 HydrophobicContact CD2-CG 3.61Å; W387-P412 HydrophobicContact CE3-CB 4.13Å; W387-P412 HydrophobicContact CE3-CG 3.73Å; W387-P412 HydrophobicContact CG-CB 4.1Å; W387-P412 HydrophobicContact CG-CG 3.74Å; W387-P412 HydrophobicContact CZ2-CB 4.38Å; W387-P412 HydrophobicContact CZ3-CG 4.47Å; W387-M627 HydrophobicContact CH2-CE 3.97Å; W387-M627 HydrophobicContact CH2-SD 3.66Å; W387-M627 HydrophobicContact CZ2-CE 3.69Å; W387-M627 HydrophobicContact CZ2-SD 4.04Å |
| 388 | E | 90.3 | Very high | 85.9 | Confident | 79 Ų | 79 | 77.8 Ų | 77.8 | 37% | 0.369 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 143.9 | 171.1 | -178.8 | -179.7 | -152.1 | 0 | 0 | 109.9 | R390 Y399 V400 H402 | E388-R390 HydrophobicContact CG-CG 4.16Å; E388-R390 IonicContact OE2-CZ 2.72Å; E388-R390 IonicContact OE2-NE 3.62Å; E388-R390 PolarHBondContact OE2-NE 3.28Å; E388-R390 IonicContact OE2-NH2 2.79Å; E388-R390 PolarHBondContact OE2-NH2 2.93Å; E388-Y399 CarbonylContact O-C 3.57Å; E388-Y399 WeakPolarHBondContact O-CA 3.5Å; E388-V400 HydrophobicContact CB-CG1 4.05Å; E388-V400 PolarHBondContact N-O 3.29Å; E388-V400 PolarHBondContact O-N 3.33Å; E388-H402 IonicContact OE2-CD2 3.14Å; E388-H402 IonicContact OE2-CE1 3.86Å; E388-H402 PolarHBondContact OE2-CE1 3.22Å; E388-H402 IonicContact OE2-NE2 3.8Å; E388-H402 PolarHBondContact OE2-NE2 3.02Å |
| 389 | R | 88.9 | Confident | 86.8 | Confident | 67 Ų | 67 | 71.9 Ų | 71.9 | 25% | 0.253 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126.6 | 167.5 | -176.9 | -160.8 | 68.4 | -152.2 | -2.6 | 109.5 | S353 N371 L383 V397 Y399 | S353-R389 PolarHBondContact O-NH1 3.46Å; N371-R389 VanDerWaalsContact CG-CZ 3.44Å; N371-R389 PolarHBondContact ND2-NH1 3.19Å; N371-R389 PolarHBondContact OD1-NH1 3.04Å; N371-R389 PolarHBondContact OD1-NH2 3.44Å; L383-R389 HydrophobicContact CD1-CB 4.17Å; R389-V397 HydrophobicContact CG-CG1 3.54Å; R389-Y399 HydrophobicContact CB-CD1 3.78Å; R389-Y399 HydrophobicContact CB-CE1 3.65Å; R389-Y399 HydrophobicContact CG-CD1 4.01Å; R389-Y399 HydrophobicContact CG-CE1 3.56Å |
| 390 | R | 90.2 | Very high | 87.5 | Confident | 89 Ų | 89 | 66.2 Ų | 66.2 | 34% | 0.336 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 176.8 | 175.3 | -67.2 | -170.3 | -175.5 | 158 | 7.4 | 111.5 | E388 V397 Y398 V400 H402 | E388-R390 HydrophobicContact CG-CG 4.16Å; E388-R390 IonicContact OE2-CZ 2.72Å; E388-R390 IonicContact OE2-NE 3.62Å; E388-R390 PolarHBondContact OE2-NE 3.28Å; E388-R390 IonicContact OE2-NH2 2.79Å; E388-R390 PolarHBondContact OE2-NH2 2.93Å; R390-V397 WeakPolarHBondContact O-CA 3.43Å; R390-Y398 HydrophobicContact CB-CD1 4.24Å; R390-Y398 HydrophobicContact CB-CD2 4.33Å; R390-Y398 HydrophobicContact CB-CE1 3.7Å; R390-Y398 HydrophobicContact CB-CE2 3.79Å; R390-Y398 VanDerWaalsContact CB-CZ 3.44Å; R390-Y398 WeakPolarHBondContact CD-OH 3.42Å; R390-Y398 HydrophobicContact CG-CE2 4.47Å; R390-Y398 PolarHBondContact N-O 2.85Å; R390-Y398 PolarHBondContact O-N 3.34Å; R390-Y398 VanDerWaalsContact O-O 3.1Å; R390-V400 HydrophobicContact CG-CG1 4.13Å; R390-H402 PolarHBondContact NH2-CE1 2.71Å; R390-H402 PolarHBondContact NH2-NE2 3.41Å |
| 391 | V | 88.7 | Confident | 88.6 | Confident | 85 Ų | 85 | 66 Ų | 66 | 52% | 0.515 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 139.8 | 176.2 | -173.1 | 0 | 0 | 0 | 0 | 107.2 | G395 R396 V397 | V391-G395 VanDerWaalsContact CG1-C 3.44Å; V391-R396 CarbonylContact C-O 3.54Å; V391-R396 WeakPolarHBondContact CA-O 3.42Å; V391-V397 HydrophobicContact CG2-CG2 4.46Å |
| 392 | D | 89.3 | Confident | 89.4 | Confident | 33 Ų | 33 | 63.3 Ų | 63.3 | 18% | 0.176 | 33% | 0.332 | C | S | . | . | trans | -88.3 | 174.7 | 175.7 | 81.6 | -8.2 | 0 | 0 | 0 | 112.5 | R394 G395 R396 Y398 | D392-R394 PolarHBondContact O-N 2.88Å; D392-R394 WeakPolarHBondContact OD1-CA 3.25Å; D392-R394 WeakPolarHBondContact OD1-CB 3.4Å; D392-R394 PolarHBondContact OD1-N 3.08Å; D392-G395 PolarHBondContact O-N 2.94Å; D392-G395 PolarHBondContact OD1-N 2.99Å; D392-R396 PolarHBondContact N-O 2.84Å; D392-R396 WeakPolarHBondContact OD1-CB 3.34Å; D392-R396 PolarHBondContact OD1-N 3.22Å; D392-R396 IonicContact OD1-NE 3.41Å; D392-R396 IonicContact OD2-CZ 3.8Å; D392-R396 IonicContact OD2-NE 3.3Å; D392-R396 PolarHBondContact OD2-NE 2.89Å; D392-R396 IonicContact OD2-NH2 3.8Å; D392-R396 PolarHBondContact OD2-NH2 2.72Å; D392-Y398 HydrophobicContact CB-CD1 4.19Å; D392-Y398 HydrophobicContact CB-CE1 4.04Å | ||
| 393 | D | 89.8 | Confident | 89.8 | Confident | 178 Ų | 178 | 65.8 Ų | 65.8 | 95% | 0.952 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -12.7 | -179.6 | -52.3 | -37 | 0 | 0 | 0 | 113.6 | ||
| 394 | R | 89.6 | Confident | 89.9 | Confident | 176 Ų | 176 | 66.4 Ų | 66.4 | 66% | 0.664 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 4.9 | 177.5 | -58.5 | 175.1 | 64.7 | -170.7 | 0.7 | 112.4 | D392 R396 | D392-R394 PolarHBondContact O-N 2.88Å; D392-R394 WeakPolarHBondContact OD1-CA 3.25Å; D392-R394 WeakPolarHBondContact OD1-CB 3.4Å; D392-R394 PolarHBondContact OD1-N 3.08Å; R394-R396 VanDerWaalsContact C-N 3.31Å; R394-R396 HydrophobicContact CB-CG 4.17Å |
| 395 | G | 84.2 | Confident | 89.9 | Confident | 54 Ų | 54 | 74 Ų | 74 | 56% | 0.557 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 78.3 | 8.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V391 D392 | V391-G395 VanDerWaalsContact CG1-C 3.44Å; D392-G395 PolarHBondContact O-N 2.94Å; D392-G395 PolarHBondContact OD1-N 2.99Å |
| 396 | R | 87.9 | Confident | 89.9 | Confident | 57 Ų | 57 | 70 Ų | 70 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | trans | -82.2 | 132.1 | -178.9 | -53.9 | -178.1 | -64.8 | 171 | 6.9 | 109.9 | V391 D392 R394 W409 D652 | V391-R396 CarbonylContact C-O 3.54Å; V391-R396 WeakPolarHBondContact CA-O 3.42Å; D392-R396 PolarHBondContact N-O 2.84Å; D392-R396 WeakPolarHBondContact OD1-CB 3.34Å; D392-R396 PolarHBondContact OD1-N 3.22Å; D392-R396 IonicContact OD1-NE 3.41Å; D392-R396 IonicContact OD2-CZ 3.8Å; D392-R396 IonicContact OD2-NE 3.3Å; D392-R396 PolarHBondContact OD2-NE 2.89Å; D392-R396 IonicContact OD2-NH2 3.8Å; D392-R396 PolarHBondContact OD2-NH2 2.72Å; R394-R396 VanDerWaalsContact C-N 3.31Å; R394-R396 HydrophobicContact CB-CG 4.17Å; R396-W409 HydrophobicContact CB-CH2 4.08Å; R396-W409 HydrophobicContact CB-CZ3 3.6Å; R396-D652 IonicContact CZ-OD2 2.75Å; R396-D652 IonicContact NH1-OD1 3.8Å; R396-D652 IonicContact NH1-OD2 3.16Å; R396-D652 PolarHBondContact NH1-OD2 3.09Å; R396-D652 IonicContact NH2-OD2 2.71Å | ||
| 397 | V | 86.8 | Confident | 90.1 | Very high | 47 Ų | 47 | 71.9 Ų | 71.9 | 29% | 0.285 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 130.8 | 178.2 | 176 | 0 | 0 | 0 | 0 | 110.3 | R389 R390 V391 Y399 W409 | R389-V397 HydrophobicContact CG-CG1 3.54Å; R390-V397 WeakPolarHBondContact O-CA 3.43Å; V391-V397 HydrophobicContact CG2-CG2 4.46Å; V397-Y399 HydrophobicContact CG1-CE2 4.19Å; V397-W409 VanDerWaalsContact O-CE3 3.3Å |
| 398 | Y | 91.7 | Very high | 90.2 | Very high | 55 Ų | 55 | 71.1 Ų | 71.1 | 22% | 0.216 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 171.8 | 171.3 | 71.5 | -87.4 | 0 | 0 | 0 | 111.1 | R390 D392 V400 T407 | R390-Y398 HydrophobicContact CB-CD1 4.24Å; R390-Y398 HydrophobicContact CB-CD2 4.33Å; R390-Y398 HydrophobicContact CB-CE1 3.7Å; R390-Y398 HydrophobicContact CB-CE2 3.79Å; R390-Y398 VanDerWaalsContact CB-CZ 3.44Å; R390-Y398 WeakPolarHBondContact CD-OH 3.42Å; R390-Y398 HydrophobicContact CG-CE2 4.47Å; R390-Y398 PolarHBondContact N-O 2.85Å; R390-Y398 PolarHBondContact O-N 3.34Å; R390-Y398 VanDerWaalsContact O-O 3.1Å; D392-Y398 HydrophobicContact CB-CD1 4.19Å; D392-Y398 HydrophobicContact CB-CE1 4.04Å; Y398-V400 HydrophobicContact CE2-CB 4.47Å; Y398-T407 HydrophobicContact CD2-CG2 4.47Å; Y398-T407 HydrophobicContact CE2-CG2 4.42Å |
| 399 | Y | 93.4 | Very high | 90.3 | Very high | 27 Ų | 27 | 69.8 Ų | 69.8 | 11% | 0.106 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 147.8 | -179.1 | -56.2 | -92.5 | 0 | 0 | 0 | 110.5 | L383 E388 R389 V397 T407 T408 Q410 R411 P412 | L383-Y399 HydrophobicContact CD1-CD1 4.26Å; L383-Y399 HydrophobicContact CD1-CE1 4.42Å; L383-Y399 HydrophobicContact CD2-CD1 4.1Å; L383-Y399 HydrophobicContact CD2-CE1 3.93Å; E388-Y399 CarbonylContact O-C 3.57Å; E388-Y399 WeakPolarHBondContact O-CA 3.5Å; R389-Y399 HydrophobicContact CB-CD1 3.78Å; R389-Y399 HydrophobicContact CB-CE1 3.65Å; R389-Y399 HydrophobicContact CG-CD1 4.01Å; R389-Y399 HydrophobicContact CG-CE1 3.56Å; V397-Y399 HydrophobicContact CG1-CE2 4.19Å; Y399-T407 CarbonylContact O-C 3.55Å; Y399-T407 VanDerWaalsContact O-CA 3.24Å; Y399-T407 WeakPolarHBondContact O-CA 3.46Å; Y399-T408 PolarHBondContact N-O 2.87Å; Y399-T408 PolarHBondContact O-N 2.96Å; Y399-Q410 WeakPolarHBondContact CD2-O 3.08Å; Y399-R411 HydrophobicContact CE1-CB 4.33Å; Y399-R411 HydrophobicContact CE1-CG 3.97Å; Y399-R411 VanDerWaalsContact CE2-CA 3.46Å; Y399-R411 HydrophobicContact CE2-CB 3.88Å; Y399-R411 HydrophobicContact CE2-CG 4.41Å; Y399-P412 VanDerWaalsContact CD1-CD 3.49Å; Y399-P412 HydrophobicContact CD1-CG 4.25Å; Y399-P412 HydrophobicContact CG-CG 4.3Å |
| 400 | V | 93.8 | Very high | 90.3 | Very high | 8 Ų | 8 | 69.8 Ų | 69.8 | 5% | 0.048 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 131.2 | -178.8 | 59.4 | 0 | 0 | 0 | 0 | 110.8 | W387 E388 R390 Y398 T406 T407 | W387-V400 WeakPolarHBondContact CA-O 3.43Å; W387-V400 VanDerWaalsContact CE3-C 3.42Å; E388-V400 HydrophobicContact CB-CG1 4.05Å; E388-V400 PolarHBondContact N-O 3.29Å; E388-V400 PolarHBondContact O-N 3.33Å; R390-V400 HydrophobicContact CG-CG1 4.13Å; Y398-V400 HydrophobicContact CE2-CB 4.47Å; V400-T406 WeakPolarHBondContact CA-O 3.29Å; V400-T407 HydrophobicContact CB-CG2 4Å; V400-T407 HydrophobicContact CG2-CG2 3.87Å |
| 401 | D | 93.1 | Very high | 90.2 | Very high | 9 Ų | 9 | 69.1 Ų | 69.1 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 124.5 | 168.8 | 173 | 32 | 0 | 0 | 0 | 110.1 | W387 N403 T404 R405 T406 | W387-D401 HydrophobicContact CD2-CB 3.88Å; W387-D401 HydrophobicContact CE3-CB 4.1Å; W387-D401 HydrophobicContact CG-CB 4.45Å; W387-D401 HydrophobicContact CH2-CB 4.08Å; W387-D401 HydrophobicContact CZ2-CB 3.84Å; W387-D401 HydrophobicContact CZ3-CB 4.19Å; D401-N403 VanDerWaalsContact C-N 3.29Å; D401-N403 PolarHBondContact O-N 2.8Å; D401-N403 WeakPolarHBondContact OD1-CB 3.31Å; D401-N403 PolarHBondContact OD1-N 2.91Å; D401-N403 PolarHBondContact OD1-ND2 2.88Å; D401-T404 VanDerWaalsContact OD2-CB 3.26Å; D401-T404 WeakPolarHBondContact OD2-CB 3.28Å; D401-T404 VanDerWaalsContact OD2-CG2 3.31Å; D401-T404 WeakPolarHBondContact OD2-CG2 3.07Å; D401-T404 PolarHBondContact OD2-N 2.91Å; D401-T404 PolarHBondContact OD2-OG1 2.98Å; D401-R405 WeakPolarHBondContact O-CA 3.34Å; D401-R405 PolarHBondContact O-N 2.88Å; D401-T406 PolarHBondContact N-O 2.88Å |
| 402 | H | 91.4 | Very high | 90.2 | Very high | 71 Ų | 71 | 65.1 Ų | 65.1 | 33% | 0.329 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -20.7 | 176.2 | -78.2 | -97.2 | 0 | 0 | 0 | 113.9 | G386 E388 R390 R405 | G386-H402 PolarHBondContact O-CD2 3.21Å; G386-H402 PolarHBondContact O-N 3.35Å; E388-H402 IonicContact OE2-CD2 3.14Å; E388-H402 IonicContact OE2-CE1 3.86Å; E388-H402 PolarHBondContact OE2-CE1 3.22Å; E388-H402 IonicContact OE2-NE2 3.8Å; E388-H402 PolarHBondContact OE2-NE2 3.02Å; R390-H402 PolarHBondContact NH2-CE1 2.71Å; R390-H402 PolarHBondContact NH2-NE2 3.41Å; H402-R405 PolarHBondContact ND1-NH1 2.85Å; H402-R405 VanDerWaalsContact ND1-NH1 3.18Å; H402-R405 PolarHBondContact O-NE 3.05Å; H402-R405 PolarHBondContact O-NH1 2.92Å |
| 403 | N | 91 | Very high | 90.2 | Very high | 125 Ų | 125 | 65.8 Ų | 65.8 | 67% | 0.668 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -56.7 | -178.5 | -53.1 | -67.8 | 0 | 0 | 0 | 111.6 | G386 D401 | G386-N403 WeakPolarHBondContact CA-ND2 3.43Å; D401-N403 VanDerWaalsContact C-N 3.29Å; D401-N403 PolarHBondContact O-N 2.8Å; D401-N403 WeakPolarHBondContact OD1-CB 3.31Å; D401-N403 PolarHBondContact OD1-N 2.91Å; D401-N403 PolarHBondContact OD1-ND2 2.88Å |
| 404 | T | 88.3 | Confident | 90 | Very high | 59 Ų | 59 | 62.5 Ų | 62.5 | 36% | 0.362 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -12.4 | -179 | 63.4 | 0 | 0 | 0 | 0 | 113.9 | D401 T406 F420 | D401-T404 VanDerWaalsContact OD2-CB 3.26Å; D401-T404 WeakPolarHBondContact OD2-CB 3.28Å; D401-T404 VanDerWaalsContact OD2-CG2 3.31Å; D401-T404 WeakPolarHBondContact OD2-CG2 3.07Å; D401-T404 PolarHBondContact OD2-N 2.91Å; D401-T404 PolarHBondContact OD2-OG1 2.98Å; T404-T406 PolarHBondContact O-N 2.88Å; T404-T406 WeakPolarHBondContact OG1-CB 3.42Å; T404-T406 PolarHBondContact OG1-N 2.79Å; T404-T406 PolarHBondContact OG1-OG1 2.82Å; T404-F420 HydrophobicContact CG2-CE1 4.49Å |
| 405 | R | 90.1 | Very high | 89.8 | Confident | 170 Ų | 170 | 59.9 Ų | 59.9 | 64% | 0.642 | 30% | 0.3 | S | S | * | . | trans | 62.3 | 13.9 | -169.5 | -53.3 | -57.4 | -176.7 | -172 | -6 | 114.8 | D401 H402 | D401-R405 WeakPolarHBondContact O-CA 3.34Å; D401-R405 PolarHBondContact O-N 2.88Å; H402-R405 PolarHBondContact ND1-NH1 2.85Å; H402-R405 VanDerWaalsContact ND1-NH1 3.18Å; H402-R405 PolarHBondContact O-NE 3.05Å; H402-R405 PolarHBondContact O-NH1 2.92Å | ||
| 406 | T | 89.7 | Confident | 89.9 | Confident | 28 Ų | 28 | 58.3 Ų | 58.3 | 17% | 0.172 | 28% | 0.28 | C | S | . | . | trans | -73.3 | 144.6 | 176.1 | -57.6 | 0 | 0 | 0 | 0 | 110.8 | V400 D401 T404 F420 M627 | V400-T406 WeakPolarHBondContact CA-O 3.29Å; D401-T406 PolarHBondContact N-O 2.88Å; T404-T406 PolarHBondContact O-N 2.88Å; T404-T406 WeakPolarHBondContact OG1-CB 3.42Å; T404-T406 PolarHBondContact OG1-N 2.79Å; T404-T406 PolarHBondContact OG1-OG1 2.82Å; T406-F420 HydrophobicContact CG2-CE2 4.25Å; T406-F420 HydrophobicContact CG2-CZ 3.93Å; T406-M627 HydrophobicContact CG2-CB 3.93Å; T406-M627 HydrophobicContact CG2-CG 3.79Å | ||
| 407 | T | 93 | Very high | 89.9 | Confident | 69 Ų | 69 | 56.2 Ų | 56.2 | 42% | 0.423 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 156.9 | 173.4 | 53 | 0 | 0 | 0 | 0 | 111.1 | Y398 Y399 V400 | Y398-T407 HydrophobicContact CD2-CG2 4.47Å; Y398-T407 HydrophobicContact CE2-CG2 4.42Å; Y399-T407 CarbonylContact O-C 3.55Å; Y399-T407 VanDerWaalsContact O-CA 3.24Å; Y399-T407 WeakPolarHBondContact O-CA 3.46Å; V400-T407 HydrophobicContact CB-CG2 4Å; V400-T407 HydrophobicContact CG2-CG2 3.87Å |
| 408 | T | 93.5 | Very high | 90 | Very high | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 156.1 | 168.5 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | W387 Y399 Q410 M627 | W387-T408 HydrophobicContact CH2-CG2 3.91Å; W387-T408 HydrophobicContact CZ3-CG2 3.75Å; Y399-T408 PolarHBondContact N-O 2.87Å; Y399-T408 PolarHBondContact O-N 2.96Å; T408-Q410 WeakPolarHBondContact CG2-O 3.28Å; T408-Q410 PolarHBondContact OG1-N 3.5Å; T408-Q410 VanDerWaalsContact OG1-N 3.14Å; T408-M627 WeakPolarHBondContact CB-O 3.11Å; T408-M627 HydrophobicContact CG2-SD 3.64Å; T408-M627 PolarHBondContact OG1-O 2.82Å |
| 409 | W | 91.9 | Very high | 89.6 | Confident | 51 Ų | 51 | 61 Ų | 61 | 19% | 0.193 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -83.9 | -25.5 | 170 | -62.2 | 101.8 | 0 | 0 | 0 | 112.4 | R396 V397 I649 N650 P651 | R396-W409 HydrophobicContact CB-CH2 4.08Å; R396-W409 HydrophobicContact CB-CZ3 3.6Å; V397-W409 VanDerWaalsContact O-CE3 3.3Å; W409-I649 VanDerWaalsContact CB-O 3.23Å; W409-I649 WeakPolarHBondContact CB-O 3.37Å; W409-N650 HydrophobicContact CB-CB 4.46Å; W409-N650 HydrophobicContact CG-CB 4.34Å; W409-N650 PolarHBondContact NE1-OD1 2.68Å; W409-P651 VanDerWaalsContact CD2-CD 3.45Å; W409-P651 HydrophobicContact CD2-CG 3.97Å; W409-P651 HydrophobicContact CE3-CG 4.14Å; W409-P651 HydrophobicContact CH2-CG 4.16Å; W409-P651 HydrophobicContact CZ2-CG 3.93Å; W409-P651 HydrophobicContact CZ3-CG 4.25Å |
| 410 | Q | 89.1 | Confident | 89.3 | Confident | 67 Ų | 67 | 60.4 Ų | 60.4 | 31% | 0.313 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -75.7 | 136.8 | 176.7 | -179.1 | 170.3 | 13.6 | 0 | 0 | 110.9 | Y399 T408 P412 C629 I649 | Y399-Q410 WeakPolarHBondContact CD2-O 3.08Å; T408-Q410 WeakPolarHBondContact CG2-O 3.28Å; T408-Q410 PolarHBondContact OG1-N 3.5Å; T408-Q410 VanDerWaalsContact OG1-N 3.14Å; Q410-P412 WeakPolarHBondContact O-CD 3.49Å; Q410-P412 VanDerWaalsContact O-N 3.17Å; Q410-C629 WeakPolarHBondContact CB-SG 3.44Å; Q410-C629 PolarHBondContact OE1-SG 2.97Å; Q410-I649 HydrophobicContact CB-CD1 4Å; Q410-I649 HydrophobicContact CB-CG2 4.21Å; Q410-I649 HydrophobicContact CG-CD1 4.09Å |
| 411 | R | 88.6 | Confident | 89 | Confident | 76 Ų | 76 | 64.8 Ų | 64.8 | 29% | 0.287 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 117.5 | 173.9 | -175.7 | 176.3 | -175.3 | -82.5 | -11.1 | 109.8 | Q381 L383 Y399 | Q381-R411 PolarHBondContact O-NH2 3.3Å; L383-R411 HydrophobicContact CD2-CG 4.12Å; Y399-R411 HydrophobicContact CE1-CB 4.33Å; Y399-R411 HydrophobicContact CE1-CG 3.97Å; Y399-R411 VanDerWaalsContact CE2-CA 3.46Å; Y399-R411 HydrophobicContact CE2-CB 3.88Å; Y399-R411 HydrophobicContact CE2-CG 4.41Å |
| 412 | P | 89.1 | Confident | 88.5 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 138.9 | -175.9 | 28.5 | -35.7 | 0 | 0 | 0 | 110.7 | L383 P384 W387 Y399 Q410 S416 V417 | L383-P412 HydrophobicContact CD2-CG 4.13Å; P384-P412 WeakPolarHBondContact CD-O 3.42Å; P384-P412 HydrophobicContact CG-CB 4.35Å; W387-P412 HydrophobicContact CB-CG 3.95Å; W387-P412 HydrophobicContact CD2-CB 3.79Å; W387-P412 HydrophobicContact CD2-CG 3.61Å; W387-P412 HydrophobicContact CE3-CB 4.13Å; W387-P412 HydrophobicContact CE3-CG 3.73Å; W387-P412 HydrophobicContact CG-CB 4.1Å; W387-P412 HydrophobicContact CG-CG 3.74Å; W387-P412 HydrophobicContact CZ2-CB 4.38Å; W387-P412 HydrophobicContact CZ3-CG 4.47Å; Y399-P412 VanDerWaalsContact CD1-CD 3.49Å; Y399-P412 HydrophobicContact CD1-CG 4.25Å; Y399-P412 HydrophobicContact CG-CG 4.3Å; Q410-P412 WeakPolarHBondContact O-CD 3.49Å; Q410-P412 VanDerWaalsContact O-N 3.17Å; P412-S416 WeakPolarHBondContact CA-OG 3.4Å; P412-V417 HydrophobicContact CB-CG2 4.43Å |
| 413 | T | 88.7 | Confident | 88.2 | Confident | 47 Ų | 47 | 66.6 Ų | 66.6 | 29% | 0.288 | 32% | 0.318 | S | S | . | . | trans | -122.4 | 166.1 | 173.9 | 72.7 | 0 | 0 | 0 | 0 | 109.4 | E415 S416 V417 | T413-E415 PolarHBondContact O-N 3.25Å; T413-E415 VanDerWaalsContact O-N 3.08Å; T413-E415 PolarHBondContact OG1-N 2.87Å; T413-S416 PolarHBondContact N-OG 2.85Å; T413-S416 PolarHBondContact O-N 2.88Å; T413-S416 PolarHBondContact O-OG 2.85Å; T413-S416 PolarHBondContact OG1-N 3.2Å; T413-S416 VanDerWaalsContact OG1-N 3.1Å; T413-V417 WeakPolarHBondContact O-CG2 3.26Å; T413-V417 PolarHBondContact O-N 3.47Å | ||
| 414 | M | 85.8 | Confident | 87.9 | Confident | 109 Ų | 109 | 64 Ų | 64 | 54% | 0.537 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.2 | -10.5 | 174.2 | -151.6 | 67.4 | -158.6 | 0 | 0 | 112.8 | P384 R418 | P384-M414 HydrophobicContact CB-SD 4.25Å; M414-R418 WeakPolarHBondContact O-CG 3.4Å; M414-R418 PolarHBondContact O-NE 3.04Å |
| 415 | E | 85.1 | Confident | 87.6 | Confident | 121 Ų | 121 | 64.2 Ų | 64.2 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -87.3 | -47.7 | 170 | -174.2 | 166.2 | -150.6 | 0 | 0 | 111.9 | T413 V417 R418 N419 | T413-E415 PolarHBondContact O-N 3.25Å; T413-E415 VanDerWaalsContact O-N 3.08Å; T413-E415 PolarHBondContact OG1-N 2.87Å; E415-V417 VanDerWaalsContact C-N 3.27Å; E415-V417 PolarHBondContact O-N 3.46Å; E415-R418 PolarHBondContact O-N 2.99Å; E415-N419 VanDerWaalsContact O-CG 3.24Å; E415-N419 PolarHBondContact O-N 3.26Å; E415-N419 PolarHBondContact O-OD1 3.06Å |
| 416 | S | 86.1 | Confident | 86.9 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.7 | -34 | 178.9 | 74.3 | 0 | 0 | 0 | 0 | 112.5 | P412 T413 N419 F420 | P412-S416 WeakPolarHBondContact CA-OG 3.4Å; T413-S416 PolarHBondContact N-OG 2.85Å; T413-S416 PolarHBondContact O-N 2.88Å; T413-S416 PolarHBondContact O-OG 2.85Å; T413-S416 PolarHBondContact OG1-N 3.2Å; T413-S416 VanDerWaalsContact OG1-N 3.1Å; S416-N419 PolarHBondContact O-N 3.24Å; S416-F420 WeakPolarHBondContact O-CB 3.21Å; S416-F420 PolarHBondContact O-N 2.84Å |
| 417 | V | 88.3 | Confident | 86.4 | Confident | 14 Ų | 14 | 62 Ų | 62 | 9% | 0.085 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 173.5 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | P384 P412 T413 E415 N419 F420 E421 | P384-V417 HydrophobicContact CB-CG2 4.04Å; P384-V417 HydrophobicContact CG-CG2 3.93Å; P412-V417 HydrophobicContact CB-CG2 4.43Å; T413-V417 WeakPolarHBondContact O-CG2 3.26Å; T413-V417 PolarHBondContact O-N 3.47Å; E415-V417 VanDerWaalsContact C-N 3.27Å; E415-V417 PolarHBondContact O-N 3.46Å; V417-N419 VanDerWaalsContact C-N 3.29Å; V417-N419 PolarHBondContact O-N 3.11Å; V417-F420 WeakPolarHBondContact O-CB 3.41Å; V417-F420 PolarHBondContact O-N 3.02Å; V417-F420 VanDerWaalsContact O-N 3.12Å; V417-E421 HydrophobicContact CG1-CG 4.36Å; V417-E421 WeakPolarHBondContact O-CG 3.43Å; V417-E421 PolarHBondContact O-N 2.96Å |
| 418 | R | 87.6 | Confident | 85.5 | Confident | 126 Ų | 126 | 64.2 Ų | 64.2 | 48% | 0.475 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61 | -36.8 | 176.5 | -76.6 | -178.8 | -64.5 | 156.1 | 7 | 112.6 | M414 E415 E421 Q422 | M414-R418 WeakPolarHBondContact O-CG 3.4Å; M414-R418 PolarHBondContact O-NE 3.04Å; E415-R418 PolarHBondContact O-N 2.99Å; R418-E421 PolarHBondContact O-N 2.81Å; R418-Q422 VanDerWaalsContact O-CG 3.32Å; R418-Q422 WeakPolarHBondContact O-CG 3.41Å; R418-Q422 PolarHBondContact O-N 3.29Å |
| 419 | N | 84.4 | Confident | 84.5 | Confident | 77 Ų | 77 | 69.5 Ų | 69.5 | 41% | 0.412 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.6 | -37.4 | 176.8 | -65.6 | -5.5 | 0 | 0 | 0 | 111.5 | E415 S416 V417 W423 | E415-N419 VanDerWaalsContact O-CG 3.24Å; E415-N419 PolarHBondContact O-N 3.26Å; E415-N419 PolarHBondContact O-OD1 3.06Å; S416-N419 PolarHBondContact O-N 3.24Å; V417-N419 VanDerWaalsContact C-N 3.29Å; V417-N419 PolarHBondContact O-N 3.11Å; N419-W423 PolarHBondContact O-N 2.92Å |
| 420 | F | 86.3 | Confident | 83.5 | Confident | 13 Ų | 13 | 68 Ų | 68 | 6% | 0.057 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.3 | -42.2 | 173.4 | 176.4 | -109.9 | 0 | 0 | 0 | 112.8 | T404 T406 S416 V417 Q422 W423 Q424 N625 P626 M627 | T404-F420 HydrophobicContact CG2-CE1 4.49Å; T406-F420 HydrophobicContact CG2-CE2 4.25Å; T406-F420 HydrophobicContact CG2-CZ 3.93Å; S416-F420 WeakPolarHBondContact O-CB 3.21Å; S416-F420 PolarHBondContact O-N 2.84Å; V417-F420 WeakPolarHBondContact O-CB 3.41Å; V417-F420 PolarHBondContact O-N 3.02Å; V417-F420 VanDerWaalsContact O-N 3.12Å; F420-Q422 VanDerWaalsContact C-N 3.31Å; F420-Q422 PolarHBondContact O-N 3.47Å; F420-W423 HydrophobicContact CD2-CE3 4.04Å; F420-W423 HydrophobicContact CD2-CZ3 4.44Å; F420-W423 AromaticContact CE2-CE3 3.98Å; F420-W423 HydrophobicContact CE2-CE3 3.98Å; F420-W423 AromaticContact CE2-CZ3 3.92Å; F420-W423 HydrophobicContact CE2-CZ3 3.92Å; F420-W423 PolarHBondContact O-N 2.91Å; F420-Q424 WeakPolarHBondContact O-CB 3.15Å; F420-Q424 PolarHBondContact O-N 2.76Å; F420-N625 WeakPolarHBondContact CD2-OD1 3.24Å; F420-N625 WeakPolarHBondContact CE2-OD1 3.26Å; F420-P626 HydrophobicContact CB-CG 4.04Å; F420-P626 HydrophobicContact CD2-CG 4.18Å; F420-M627 HydrophobicContact CB-CE 3.51Å; F420-M627 HydrophobicContact CD1-CE 4.05Å; F420-M627 HydrophobicContact CD2-CE 4.27Å; F420-M627 HydrophobicContact CD2-CG 3.62Å; F420-M627 HydrophobicContact CE2-CG 3.9Å; F420-M627 HydrophobicContact CG-CE 3.7Å; F420-M627 HydrophobicContact CG-CG 4.04Å |
| 421 | E | 87.4 | Confident | 82.2 | Confident | 100 Ų | 100 | 73 Ų | 73 | 47% | 0.467 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.6 | -41.6 | 173.2 | -71.1 | 168.8 | 166 | 0 | 0 | 111.7 | V417 R418 Q424 S425 | V417-E421 HydrophobicContact CG1-CG 4.36Å; V417-E421 WeakPolarHBondContact O-CG 3.43Å; V417-E421 PolarHBondContact O-N 2.96Å; R418-E421 PolarHBondContact O-N 2.81Å; E421-Q424 PolarHBondContact O-N 3.33Å; E421-S425 WeakPolarHBondContact O-CB 3.37Å; E421-S425 PolarHBondContact O-N 3.35Å |
| 422 | Q | 83.8 | Confident | 81.1 | Confident | 99 Ų | 99 | 71.7 Ų | 71.7 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 174.6 | -74.2 | 177.8 | 25.1 | 0 | 0 | 112.3 | R418 F420 Q424 S425 Q426 | R418-Q422 VanDerWaalsContact O-CG 3.32Å; R418-Q422 WeakPolarHBondContact O-CG 3.41Å; R418-Q422 PolarHBondContact O-N 3.29Å; F420-Q422 VanDerWaalsContact C-N 3.31Å; F420-Q422 PolarHBondContact O-N 3.47Å; Q422-Q424 VanDerWaalsContact C-N 3.32Å; Q422-Q424 PolarHBondContact O-N 2.75Å; Q422-S425 WeakPolarHBondContact O-CB 3.3Å; Q422-S425 PolarHBondContact O-N 3.46Å; Q422-Q426 WeakPolarHBondContact O-CG 3.22Å; Q422-Q426 PolarHBondContact O-N 2.76Å |
| 423 | W | 84.3 | Confident | 80.5 | Confident | 19 Ų | 19 | 71.8 Ų | 71.8 | 7% | 0.072 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | 175.1 | 173.5 | 89.2 | 0 | 0 | 0 | 111.6 | N419 F420 S425 Q426 R427 H621 N625 P626 | N419-W423 PolarHBondContact O-N 2.92Å; F420-W423 HydrophobicContact CD2-CE3 4.04Å; F420-W423 HydrophobicContact CD2-CZ3 4.44Å; F420-W423 AromaticContact CE2-CE3 3.98Å; F420-W423 HydrophobicContact CE2-CE3 3.98Å; F420-W423 AromaticContact CE2-CZ3 3.92Å; F420-W423 HydrophobicContact CE2-CZ3 3.92Å; F420-W423 PolarHBondContact O-N 2.91Å; W423-S425 PolarHBondContact O-N 3.4Å; W423-Q426 PolarHBondContact O-N 2.69Å; W423-R427 WeakPolarHBondContact O-CB 3.48Å; W423-R427 PolarHBondContact O-N 2.89Å; W423-H621 WeakPolarHBondContact CZ2-O 3.46Å; W423-H621 PolarHBondContact NE1-O 3.01Å; W423-N625 HydrophobicContact CH2-CB 3.65Å; W423-N625 HydrophobicContact CZ2-CB 3.63Å; W423-N625 HydrophobicContact CZ3-CB 4.12Å; W423-P626 HydrophobicContact CB-CG 4.5Å |
| 424 | Q | 84.3 | Confident | 80.1 | Confident | 71 Ų | 71 | 71 Ų | 71 | 33% | 0.332 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.2 | -36.7 | 176.9 | -168.2 | -179.8 | 13.1 | 0 | 0 | 111.9 | F420 E421 Q422 R427 N428 | F420-Q424 WeakPolarHBondContact O-CB 3.15Å; F420-Q424 PolarHBondContact O-N 2.76Å; E421-Q424 PolarHBondContact O-N 3.33Å; Q422-Q424 VanDerWaalsContact C-N 3.32Å; Q422-Q424 PolarHBondContact O-N 2.75Å; Q424-R427 WeakPolarHBondContact O-CB 3.39Å; Q424-R427 PolarHBondContact O-N 3.46Å; Q424-N428 PolarHBondContact O-N 2.76Å; Q424-N428 PolarHBondContact O-ND2 3.31Å; Q424-N428 PolarHBondContact O-OD1 3.05Å |
| 425 | S | 81.9 | Confident | 79.7 | Confident | 64 Ų | 64 | 72.4 Ų | 72.4 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 173 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | E421 Q422 W423 N428 Q429 | E421-S425 WeakPolarHBondContact O-CB 3.37Å; E421-S425 PolarHBondContact O-N 3.35Å; Q422-S425 WeakPolarHBondContact O-CB 3.3Å; Q422-S425 PolarHBondContact O-N 3.46Å; W423-S425 PolarHBondContact O-N 3.4Å; S425-N428 PolarHBondContact O-N 2.76Å; S425-Q429 PolarHBondContact O-N 3.41Å |
| 426 | Q | 77 | Confident | 79.4 | Confident | 83 Ų | 83 | 71.1 Ų | 71.1 | 39% | 0.388 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 173 | -70.9 | 179.4 | -25.9 | 0 | 0 | 111.3 | Q422 W423 N428 Q429 N638 | Q422-Q426 WeakPolarHBondContact O-CG 3.22Å; Q422-Q426 PolarHBondContact O-N 2.76Å; W423-Q426 PolarHBondContact O-N 2.69Å; Q426-N428 VanDerWaalsContact C-N 3.29Å; Q426-N428 PolarHBondContact O-N 3.1Å; Q426-Q429 WeakPolarHBondContact O-CB 2.92Å; Q426-Q429 PolarHBondContact O-N 2.97Å; Q426-Q429 VanDerWaalsContact O-N 3.09Å; Q426-N638 PolarHBondContact NE2-ND2 3.02Å |
| 427 | R | 78 | Confident | 79.2 | Confident | 69 Ų | 69 | 70.2 Ų | 70.2 | 26% | 0.26 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55.4 | -41.9 | 175.1 | -175.9 | -150.3 | 178.4 | 82.8 | -4 | 112.4 | W423 Q424 Q429 L430 E622 | W423-R427 WeakPolarHBondContact O-CB 3.48Å; W423-R427 PolarHBondContact O-N 2.89Å; Q424-R427 WeakPolarHBondContact O-CB 3.39Å; Q424-R427 PolarHBondContact O-N 3.46Å; R427-Q429 PolarHBondContact O-N 3.33Å; R427-L430 HydrophobicContact CB-CD1 4.41Å; R427-L430 HydrophobicContact CG-CD1 4.17Å; R427-L430 VanDerWaalsContact O-CB 3.24Å; R427-L430 WeakPolarHBondContact O-CB 3.37Å; R427-L430 WeakPolarHBondContact O-CD1 3.43Å; R427-L430 WeakPolarHBondContact O-CG 3.25Å; R427-L430 PolarHBondContact O-N 2.96Å; R427-L430 VanDerWaalsContact O-N 3.15Å; R427-E622 IonicContact CZ-OE1 3.88Å; R427-E622 IonicContact CZ-OE2 3.7Å; R427-E622 IonicContact NH1-OE1 2.75Å; R427-E622 PolarHBondContact NH1-OE1 3.24Å; R427-E622 VanDerWaalsContact NH1-OE1 3.13Å; R427-E622 IonicContact NH1-OE2 3.79Å; R427-E622 PolarHBondContact NH1-OE2 2.56Å; R427-E622 IonicContact NH2-OE1 2.87Å; R427-E622 PolarHBondContact NH2-OE1 3.11Å; R427-E622 IonicContact NH2-OE2 2.71Å |
| 428 | N | 74.4 | Confident | 79 | Confident | 114 Ų | 114 | 72.9 Ų | 72.9 | 61% | 0.61 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -68.2 | -20.3 | -179.3 | -69.7 | -17.8 | 0 | 0 | 0 | 113.2 | Q424 S425 Q426 L430 | Q424-N428 PolarHBondContact O-N 2.76Å; Q424-N428 PolarHBondContact O-ND2 3.31Å; Q424-N428 PolarHBondContact O-OD1 3.05Å; S425-N428 PolarHBondContact O-N 2.76Å; Q426-N428 VanDerWaalsContact C-N 3.29Å; Q426-N428 PolarHBondContact O-N 3.1Å; N428-L430 VanDerWaalsContact C-N 3.32Å |
| 429 | Q | 73.3 | Confident | 78.8 | Confident | 119 Ų | 119 | 73.9 Ų | 73.9 | 56% | 0.556 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -10.9 | 175.6 | -64.8 | 172.1 | 1.1 | 0 | 0 | 113 | S425 Q426 R427 Q431 G432 | S425-Q429 PolarHBondContact O-N 3.41Å; Q426-Q429 WeakPolarHBondContact O-CB 2.92Å; Q426-Q429 PolarHBondContact O-N 2.97Å; Q426-Q429 VanDerWaalsContact O-N 3.09Å; R427-Q429 PolarHBondContact O-N 3.33Å; Q429-Q431 PolarHBondContact O-N 3.31Å; Q429-Q431 VanDerWaalsContact O-N 3.13Å; Q429-G432 PolarHBondContact O-N 3.41Å |
| 430 | L | 69.3 | Low | 78.8 | Confident | 18 Ų | 18 | 71.2 Ų | 71.2 | 9% | 0.094 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.9 | -17.4 | -173.5 | -63.5 | 176.3 | 0 | 0 | 0 | 115 | R427 N428 G432 A433 M434 F617 H621 | R427-L430 HydrophobicContact CB-CD1 4.41Å; R427-L430 HydrophobicContact CG-CD1 4.17Å; R427-L430 VanDerWaalsContact O-CB 3.24Å; R427-L430 WeakPolarHBondContact O-CB 3.37Å; R427-L430 WeakPolarHBondContact O-CD1 3.43Å; R427-L430 WeakPolarHBondContact O-CG 3.25Å; R427-L430 PolarHBondContact O-N 2.96Å; R427-L430 VanDerWaalsContact O-N 3.15Å; N428-L430 VanDerWaalsContact C-N 3.32Å; L430-G432 PolarHBondContact O-N 2.85Å; L430-A433 HydrophobicContact CD2-CB 4.06Å; L430-A433 WeakPolarHBondContact O-CB 3.23Å; L430-A433 PolarHBondContact O-N 3.44Å; L430-A433 VanDerWaalsContact O-N 3.11Å; L430-M434 PolarHBondContact O-N 2.97Å; L430-F617 HydrophobicContact CB-CE1 4.08Å; L430-F617 HydrophobicContact CB-CZ 4Å; L430-F617 HydrophobicContact CD2-CZ 4.18Å; L430-H621 HydrophobicContact CD1-CB 3.91Å; L430-H621 VanDerWaalsContact CD2-NE2 3.3Å; L430-H621 WeakPolarHBondContact CD2-NE2 3.32Å |
| 431 | Q | 61.7 | Low | 78.6 | Confident | 174 Ų | 174 | 74.6 Ų | 74.6 | 81% | 0.813 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.3 | -28.3 | 176.5 | -162.7 | 173.9 | 17.2 | 0 | 0 | 112.2 | Q429 | Q429-Q431 PolarHBondContact O-N 3.31Å; Q429-Q431 VanDerWaalsContact O-N 3.13Å |
| 432 | G | 66.5 | Low | 78.3 | Confident | 48 Ų | 48 | 71.2 Ų | 71.2 | 50% | 0.495 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -78 | -43.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q429 L430 M434 Q435 | Q429-G432 PolarHBondContact O-N 3.41Å; L430-G432 PolarHBondContact O-N 2.85Å; G432-M434 VanDerWaalsContact C-N 3.28Å; G432-M434 PolarHBondContact O-N 3.09Å; G432-Q435 PolarHBondContact O-N 3.3Å |
| 433 | A | 75.4 | Confident | 77.7 | Confident | 2 Ų | 2 | 69.4 Ų | 69.4 | 2% | 0.017 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.4 | -37.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | L430 Q435 Q436 F437 F617 L858 | L430-A433 HydrophobicContact CD2-CB 4.06Å; L430-A433 WeakPolarHBondContact O-CB 3.23Å; L430-A433 PolarHBondContact O-N 3.44Å; L430-A433 VanDerWaalsContact O-N 3.11Å; A433-Q435 PolarHBondContact O-N 3.48Å; A433-Q435 VanDerWaalsContact O-N 3.09Å; A433-Q436 PolarHBondContact O-N 3.46Å; A433-F437 WeakPolarHBondContact O-CB 3.02Å; A433-F437 PolarHBondContact O-N 3.33Å; A433-F617 HydrophobicContact CB-CZ 4.14Å; A433-L858 HydrophobicContact CB-CD1 3.94Å; A433-L858 HydrophobicContact CB-CD2 3.55Å; A433-L858 HydrophobicContact CB-CG 4.42Å |
| 434 | M | 80.9 | Confident | 76.5 | Confident | 30 Ų | 30 | 70.9 Ų | 70.9 | 15% | 0.148 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -56.8 | -28.3 | -179.6 | -174.4 | 53.7 | 174.3 | 0 | 0 | 113.1 | L430 G432 F437 N438 E614 F617 | L430-M434 PolarHBondContact O-N 2.97Å; G432-M434 VanDerWaalsContact C-N 3.28Å; G432-M434 PolarHBondContact O-N 3.09Å; M434-F437 HydrophobicContact SD-CD1 3.78Å; M434-F437 HydrophobicContact SD-CE1 4.49Å; M434-N438 VanDerWaalsContact O-CB 3.25Å; M434-N438 WeakPolarHBondContact O-CB 3.23Å; M434-N438 PolarHBondContact O-N 3Å; M434-N438 PolarHBondContact O-ND2 2.88Å; M434-E614 HydrophobicContact CE-CB 3.8Å; M434-E614 HydrophobicContact CE-CG 4.13Å; M434-F617 HydrophobicContact CB-CD1 4.38Å; M434-F617 HydrophobicContact CB-CE1 3.84Å; M434-F617 HydrophobicContact CB-CZ 4.08Å; M434-F617 HydrophobicContact CE-CB 4.49Å; M434-F617 HydrophobicContact CG-CD1 4.33Å; M434-F617 HydrophobicContact CG-CE1 4.29Å; M434-F617 HydrophobicContact SD-CB 4Å; M434-F617 HydrophobicContact SD-CD1 3.48Å; M434-F617 WeakPolarHBondContact SD-CD1 3.33Å; M434-F617 HydrophobicContact SD-CD2 4.12Å; M434-F617 HydrophobicContact SD-CE1 3.92Å; M434-F617 HydrophobicContact SD-CE2 4.48Å; M434-F617 HydrophobicContact SD-CG 3.59Å; M434-F617 VanDerWaalsContact SD-CG 3.59Å; M434-F617 HydrophobicContact SD-CZ 4.4Å |
| 435 | Q | 78.6 | Confident | 75.1 | Confident | 139 Ų | 139 | 70.9 Ų | 70.9 | 65% | 0.65 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -71.8 | -44.6 | 174.8 | -62.1 | -169.8 | 8.1 | 0 | 0 | 112.3 | G432 A433 N438 Q439 | G432-Q435 PolarHBondContact O-N 3.3Å; A433-Q435 PolarHBondContact O-N 3.48Å; A433-Q435 VanDerWaalsContact O-N 3.09Å; Q435-N438 PolarHBondContact O-N 2.88Å; Q435-Q439 WeakPolarHBondContact O-CG 3.47Å; Q435-Q439 PolarHBondContact O-N 2.76Å |
| 436 | Q | 78.4 | Confident | 73.5 | Confident | 94 Ų | 94 | 72.2 Ų | 72.2 | 44% | 0.439 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 174.5 | -65.2 | 179.7 | -11.6 | 0 | 0 | 110.9 | A433 N438 Q439 R440 L858 | A433-Q436 PolarHBondContact O-N 3.46Å; Q436-N438 VanDerWaalsContact C-N 3.27Å; Q436-N438 PolarHBondContact O-N 3.15Å; Q436-Q439 WeakPolarHBondContact O-CB 3.17Å; Q436-Q439 PolarHBondContact O-N 2.98Å; Q436-R440 PolarHBondContact O-N 3.02Å; Q436-L858 PolarHBondContact NE2-O 3.02Å; Q436-L858 VanDerWaalsContact OE1-CD2 3.28Å |
| 437 | F | 82.4 | Confident | 72.6 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 0% | 0.004 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.7 | -37.4 | 173.8 | 179.2 | -95.9 | 0 | 0 | 0 | 112.3 | A433 M434 Q439 R440 R613 F617 F673 D675 | A433-F437 WeakPolarHBondContact O-CB 3.02Å; A433-F437 PolarHBondContact O-N 3.33Å; M434-F437 HydrophobicContact SD-CD1 3.78Å; M434-F437 HydrophobicContact SD-CE1 4.49Å; F437-Q439 VanDerWaalsContact C-N 3.29Å; F437-Q439 PolarHBondContact O-N 2.71Å; F437-R440 WeakPolarHBondContact O-CB 3.47Å; F437-R440 PolarHBondContact O-N 3.33Å; F437-R613 HydrophobicContact CE1-CG 3.97Å; F437-R613 PolarHBondContact O-NH2 3.47Å; F437-F617 HydrophobicContact CB-CD2 3.99Å; F437-F617 HydrophobicContact CB-CE2 3.85Å; F437-F617 HydrophobicContact CD1-CB 4.04Å; F437-F617 AromaticContact CD1-CD2 3.54Å; F437-F617 HydrophobicContact CD1-CD2 3.54Å; F437-F617 HydrophobicContact CD1-CE2 4.26Å; F437-F617 AromaticContact CD1-CG 4Å; F437-F617 HydrophobicContact CD1-CG 4Å; F437-F617 AromaticContact CD2-CD2 3.64Å; F437-F617 HydrophobicContact CD2-CD2 3.64Å; F437-F617 HydrophobicContact CD2-CE2 4.07Å; F437-F617 HydrophobicContact CE1-CB 3.65Å; F437-F617 AromaticContact CE1-CD2 3.83Å; F437-F617 HydrophobicContact CE1-CD2 3.83Å; F437-F617 HydrophobicContact CE1-CG 4.09Å; F437-F617 AromaticContact CE2-CD2 3.94Å; F437-F617 HydrophobicContact CE2-CD2 3.94Å; F437-F617 AromaticContact CG-CD2 3.42Å; F437-F617 HydrophobicContact CG-CD2 3.42Å; F437-F617 VanDerWaalsContact CG-CD2 3.42Å; F437-F617 AromaticContact CG-CE2 3.8Å; F437-F617 HydrophobicContact CG-CE2 3.8Å; F437-F617 HydrophobicContact CG-CG 4.33Å; F437-F617 HydrophobicContact CZ-CB 4.02Å; F437-F617 HydrophobicContact CZ-CD2 4.01Å; F437-F617 HydrophobicContact CZ-CG 4.5Å; F437-F673 HydrophobicContact CE2-CB 3.81Å; F437-F673 HydrophobicContact CZ-CB 3.68Å; F437-F673 WeakPolarHBondContact CZ-O 3.38Å; F437-D675 HydrophobicContact CD2-CB 4.28Å; F437-D675 HydrophobicContact CE2-CB 4.29Å |
| 438 | N | 83.1 | Confident | 71.8 | Confident | 71 Ų | 71 | 70.4 Ų | 70.4 | 38% | 0.38 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.8 | -26.2 | 175.3 | -83.9 | -33.7 | 0 | 0 | 0 | 113.7 | M434 Q435 Q436 R440 R613 | M434-N438 VanDerWaalsContact O-CB 3.25Å; M434-N438 WeakPolarHBondContact O-CB 3.23Å; M434-N438 PolarHBondContact O-N 3Å; M434-N438 PolarHBondContact O-ND2 2.88Å; Q435-N438 PolarHBondContact O-N 2.88Å; Q436-N438 VanDerWaalsContact C-N 3.27Å; Q436-N438 PolarHBondContact O-N 3.15Å; N438-R440 VanDerWaalsContact C-N 3.34Å; N438-R613 PolarHBondContact O-NH1 3.15Å; N438-R613 PolarHBondContact O-NH2 2.95Å; N438-R613 VanDerWaalsContact OD1-CD 3.32Å; N438-R613 WeakPolarHBondContact OD1-CD 3.4Å; N438-R613 PolarHBondContact OD1-NE 3.14Å |
| 439 | Q | 83.4 | Confident | 70.8 | Confident | 147 Ų | 147 | 68 Ų | 68 | 69% | 0.687 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -77 | -17.3 | 173.6 | -64.8 | 168.1 | 10.8 | 0 | 0 | 113 | Q435 Q436 F437 | Q435-Q439 WeakPolarHBondContact O-CG 3.47Å; Q435-Q439 PolarHBondContact O-N 2.76Å; Q436-Q439 WeakPolarHBondContact O-CB 3.17Å; Q436-Q439 PolarHBondContact O-N 2.98Å; F437-Q439 VanDerWaalsContact C-N 3.29Å; F437-Q439 PolarHBondContact O-N 2.71Å |
| 440 | R | 85.3 | Confident | 69.8 | Low | 20 Ų | 20 | 64.8 Ų | 64.8 | 8% | 0.075 | 36% | 0.363 | C | S | . | . | trans | -61.7 | 142.5 | 174.8 | -64.5 | -163.6 | -170.2 | 139 | 12.3 | 111.7 | Q436 F437 N438 R613 F673 D675 C802 M804 Q805 | Q436-R440 PolarHBondContact O-N 3.02Å; F437-R440 WeakPolarHBondContact O-CB 3.47Å; F437-R440 PolarHBondContact O-N 3.33Å; N438-R440 VanDerWaalsContact C-N 3.34Å; R440-R613 PolarHBondContact O-NH2 2.77Å; R440-F673 HydrophobicContact CB-CD2 4.16Å; R440-F673 HydrophobicContact CB-CE2 4.34Å; R440-F673 WeakPolarHBondContact O-CE2 3.35Å; R440-D675 IonicContact CZ-OD1 3.64Å; R440-D675 IonicContact NH1-OD1 3.64Å; R440-D675 PolarHBondContact NH1-OD1 3.16Å; R440-D675 IonicContact NH2-OD1 2.71Å; R440-D675 PolarHBondContact NH2-OD1 3.14Å; R440-D675 IonicContact NH2-OD2 2.7Å; R440-C802 WeakPolarHBondContact CD-O 3.4Å; R440-C802 PolarHBondContact NH1-O 3.28Å; R440-C802 VanDerWaalsContact NH1-O 3.16Å; R440-M804 CarbonylContact C-O 3.57Å; R440-M804 WeakPolarHBondContact CA-O 3.33Å; R440-M804 WeakPolarHBondContact CB-O 3.41Å; R440-Q805 HydrophobicContact CG-CB 4.31Å; R440-Q805 VanDerWaalsContact NE-OE1 3.07Å | ||
| 441 | Y | 81.3 | Confident | 69.2 | Low | 85 Ų | 85 | 66 Ų | 66 | 33% | 0.333 | 37% | 0.368 | S | S | . | . | B | Isolated β-bridge | trans | -143.8 | 166.4 | -171.4 | 69.2 | -80.6 | 0 | 0 | 0 | 112.9 | M804 E806 | Y441-M804 HydrophobicContact CD2-CE 4.19Å; Y441-M804 HydrophobicContact CE1-CB 4.44Å; Y441-M804 HydrophobicContact CE2-CE 3.74Å; Y441-M804 PolarHBondContact N-O 3.25Å; Y441-M804 WeakPolarHBondContact O-CB 3.4Å; Y441-M804 PolarHBondContact O-N 3.13Å; Y441-E806 HydrophobicContact CE1-CG 4.19Å |
| 442 | L | 80.8 | Confident | 68.7 | Low | 28 Ų | 28 | 59.3 Ų | 59.3 | 15% | 0.147 | 34% | 0.338 | C | S | . | . | trans | -132.5 | 180 | 159.4 | -75.6 | 176.6 | 0 | 0 | 0 | 107.2 | S444 F547 L551 F673 V799 M804 | L442-S444 PolarHBondContact O-N 3.15Å; L442-F547 HydrophobicContact CD2-CE1 4.32Å; L442-F547 HydrophobicContact CD2-CZ 4.34Å; L442-L551 HydrophobicContact CB-CD2 4.24Å; L442-L551 HydrophobicContact CD1-CD1 4.35Å; L442-L551 HydrophobicContact CD1-CD2 4.02Å; L442-L551 HydrophobicContact CD2-CD2 4.43Å; L442-L551 HydrophobicContact CG-CD2 4.48Å; L442-F673 HydrophobicContact CB-CZ 4.26Å; L442-F673 HydrophobicContact CD1-CE1 3.64Å; L442-F673 HydrophobicContact CD1-CZ 4.1Å; L442-F673 HydrophobicContact CG-CE1 3.72Å; L442-F673 HydrophobicContact CG-CZ 3.76Å; L442-V799 HydrophobicContact CD2-CG1 3.94Å; L442-M804 HydrophobicContact CD2-CE 4.43Å; L442-M804 HydrophobicContact CD2-CG 4.11Å | ||
| 443 | Y | 71.7 | Confident | 68.5 | Low | 62 Ų | 62 | 58 Ų | 58 | 24% | 0.243 | 32% | 0.319 | C | S | . | . | trans | -49.9 | 137.4 | 168.8 | -62.7 | -74.6 | 0 | 0 | 0 | 111.8 | L448 F547 R548 L551 E841 | Y443-L448 HydrophobicContact CD2-CD2 4.49Å; Y443-L448 HydrophobicContact CG-CD2 4.3Å; Y443-L448 WeakPolarHBondContact O-CD1 3.45Å; Y443-F547 HydrophobicContact CE2-CD1 4.39Å; Y443-R548 HydrophobicContact CD1-CG 4.13Å; Y443-R548 HydrophobicContact CD2-CB 4.14Å; Y443-R548 HydrophobicContact CD2-CG 3.86Å; Y443-R548 HydrophobicContact CE1-CG 4.21Å; Y443-R548 HydrophobicContact CE2-CB 3.79Å; Y443-R548 HydrophobicContact CE2-CG 3.93Å; Y443-R548 HydrophobicContact CG-CG 3.96Å; Y443-L551 HydrophobicContact CD2-CD2 4.13Å; Y443-E841 PolarHBondContact OH-OE2 3.1Å | ||
| 444 | S | 58.9 | Low | 67.6 | Low | 49 Ų | 49 | 61.9 Ų | 61.9 | 34% | 0.343 | 35% | 0.345 | S | S | . | . | trans | -68.1 | 156 | -177.7 | 70.5 | 0 | 0 | 0 | 0 | 111.9 | L442 S446 M447 L448 | L442-S444 PolarHBondContact O-N 3.15Å; S444-S446 PolarHBondContact O-N 2.89Å; S444-S446 PolarHBondContact OG-OG 3.16Å; S444-S446 VanDerWaalsContact OG-OG 3.1Å; S444-M447 PolarHBondContact O-N 2.71Å; S444-M447 WeakPolarHBondContact OG-CB 3.33Å; S444-M447 WeakPolarHBondContact OG-CG 3.31Å; S444-M447 PolarHBondContact OG-N 2.84Å; S444-M447 VanDerWaalsContact OG-N 3.16Å; S444-L448 WeakPolarHBondContact O-CG 3.5Å; S444-L448 PolarHBondContact O-N 2.95Å | ||
| 445 | A | 55 | Low | 66.7 | Low | 71 Ų | 71 | 65.3 Ų | 65.3 | 59% | 0.587 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -56.1 | -34.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L448 A449 | A445-L448 PolarHBondContact O-N 2.86Å; A445-A449 VanDerWaalsContact O-CB 3.23Å; A445-A449 WeakPolarHBondContact O-CB 3.5Å; A445-A449 PolarHBondContact O-N 2.68Å |
| 446 | S | 48.7 | Very low | 66.1 | Low | 92 Ų | 92 | 58.9 Ų | 58.9 | 64% | 0.643 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -71.5 | -38.3 | 174.2 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | S444 L448 A450 | S444-S446 PolarHBondContact O-N 2.89Å; S444-S446 PolarHBondContact OG-OG 3.16Å; S444-S446 VanDerWaalsContact OG-OG 3.1Å; S446-L448 VanDerWaalsContact C-N 3.26Å; S446-L448 PolarHBondContact O-N 2.82Å; S446-A450 PolarHBondContact O-N 2.76Å |
| 447 | M | 58 | Low | 65.6 | Low | 105 Ų | 105 | 56.2 Ų | 56.2 | 52% | 0.517 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.7 | -20.9 | 173.9 | -76.5 | 178.2 | 171 | 0 | 0 | 113.4 | S444 E451 R548 | S444-M447 PolarHBondContact O-N 2.71Å; S444-M447 WeakPolarHBondContact OG-CB 3.33Å; S444-M447 WeakPolarHBondContact OG-CG 3.31Å; S444-M447 PolarHBondContact OG-N 2.84Å; S444-M447 VanDerWaalsContact OG-N 3.16Å; M447-E451 WeakPolarHBondContact O-CG 3.2Å; M447-R548 PolarHBondContact O-NH2 3.13Å |
| 448 | L | 60.1 | Low | 65.2 | Low | 9 Ų | 9 | 58 Ų | 58 | 5% | 0.047 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -92.6 | -38.2 | 177.1 | -67.2 | 172.3 | 0 | 0 | 0 | 112 | Y443 S444 A445 S446 A450 E451 N452 R548 L551 A552 R555 | Y443-L448 HydrophobicContact CD2-CD2 4.49Å; Y443-L448 HydrophobicContact CG-CD2 4.3Å; Y443-L448 WeakPolarHBondContact O-CD1 3.45Å; S444-L448 WeakPolarHBondContact O-CG 3.5Å; S444-L448 PolarHBondContact O-N 2.95Å; A445-L448 PolarHBondContact O-N 2.86Å; S446-L448 VanDerWaalsContact C-N 3.26Å; S446-L448 PolarHBondContact O-N 2.82Å; L448-A450 PolarHBondContact O-N 3.47Å; L448-A450 VanDerWaalsContact O-N 3.15Å; L448-E451 PolarHBondContact O-N 2.88Å; L448-N452 PolarHBondContact O-N 3.03Å; L448-R548 HydrophobicContact CD2-CG 3.97Å; L448-R548 WeakPolarHBondContact CD2-O 3.42Å; L448-L551 HydrophobicContact CD1-CD2 4.02Å; L448-L551 HydrophobicContact CD1-CG 4.05Å; L448-L551 HydrophobicContact CD2-CB 4.42Å; L448-L551 HydrophobicContact CD2-CD2 4.26Å; L448-L551 HydrophobicContact CD2-CG 4.28Å; L448-A552 HydrophobicContact CB-CB 3.97Å; L448-A552 HydrophobicContact CD2-CB 3.79Å; L448-A552 HydrophobicContact CG-CB 4.48Å; L448-A552 WeakPolarHBondContact O-CB 3.36Å; L448-R555 HydrophobicContact CD1-CG 4.12Å |
| 449 | A | 53.7 | Low | 64.7 | Low | 64 Ų | 64 | 56.4 Ų | 56.4 | 53% | 0.529 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.8 | -12 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A445 | A445-A449 VanDerWaalsContact O-CB 3.23Å; A445-A449 WeakPolarHBondContact O-CB 3.5Å; A445-A449 PolarHBondContact O-N 2.68Å |
| 450 | A | 52.7 | Low | 64.3 | Low | 52 Ų | 52 | 53.7 Ų | 53.7 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -19.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S446 L448 | S446-A450 PolarHBondContact O-N 2.76Å; L448-A450 PolarHBondContact O-N 3.47Å; L448-A450 VanDerWaalsContact O-N 3.15Å |
| 451 | E | 56 | Low | 63.9 | Low | 43 Ų | 43 | 54 Ų | 54 | 20% | 0.201 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -42.6 | -177.8 | -61.7 | -66.7 | 156.9 | 0 | 0 | 111.5 | M447 L448 D453 R548 A552 | M447-E451 WeakPolarHBondContact O-CG 3.2Å; L448-E451 PolarHBondContact O-N 2.88Å; E451-D453 PolarHBondContact O-N 3.37Å; E451-D453 VanDerWaalsContact O-N 3.1Å; E451-R548 HydrophobicContact CG-CG 4.36Å; E451-R548 IonicContact OE1-CZ 3.72Å; E451-R548 IonicContact OE1-NE 3.37Å; E451-R548 IonicContact OE1-NH1 3.7Å; E451-R548 PolarHBondContact OE1-NH1 2.78Å; E451-R548 VanDerWaalsContact OE1-NH1 3.08Å; E451-R548 IonicContact OE1-NH2 3.87Å; E451-R548 PolarHBondContact OE1-NH2 3.38Å; E451-A552 HydrophobicContact CB-CB 4Å |
| 452 | N | 51.7 | Low | 63.8 | Low | 34 Ų | 34 | 52.5 Ų | 52.5 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -88 | 45.9 | 178.1 | -166 | 44.3 | 0 | 0 | 0 | 112.3 | L448 A552 Y556 | L448-N452 PolarHBondContact O-N 3.03Å; N452-A552 HydrophobicContact CB-CB 3.9Å; N452-Y556 WeakPolarHBondContact ND2-CB 3.43Å |
| 453 | D | 61.8 | Low | 64 | Low | 19 Ų | 19 | 54.5 Ų | 54.5 | 10% | 0.102 | 33% | 0.329 | C | S | . | . | trans | -87.4 | 128.8 | 171.7 | -164.2 | -59.2 | 0 | 0 | 0 | 108.5 | E451 Y455 G456 K464 R488 | E451-D453 PolarHBondContact O-N 3.37Å; E451-D453 VanDerWaalsContact O-N 3.1Å; D453-Y455 PolarHBondContact O-N 2.97Å; D453-Y455 PolarHBondContact OD1-N 3.17Å; D453-G456 PolarHBondContact O-N 2.75Å; D453-K464 IonicContact OD2-NZ 3.52Å; D453-R488 VanDerWaalsContact CG-CZ 3.49Å; D453-R488 VanDerWaalsContact CG-NH2 3.31Å; D453-R488 IonicContact OD1-CZ 3.6Å; D453-R488 IonicContact OD1-NH1 3.9Å; D453-R488 PolarHBondContact OD1-NH1 3.46Å; D453-R488 IonicContact OD1-NH2 2.94Å; D453-R488 PolarHBondContact OD1-NH2 2.9Å; D453-R488 IonicContact OD2-CZ 2.89Å; D453-R488 VanDerWaalsContact OD2-CZ 3.29Å; D453-R488 IonicContact OD2-NH1 3.74Å; D453-R488 PolarHBondContact OD2-NH1 2.8Å; D453-R488 IonicContact OD2-NH2 2.87Å; D453-R488 PolarHBondContact OD2-NH2 3.25Å | ||
| 454 | P | 58.2 | Low | 64.5 | Low | 85 Ų | 85 | 56.3 Ų | 56.3 | 55% | 0.552 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -14.4 | -173.9 | 24.3 | -34.8 | 0 | 0 | 0 | 114.2 | ||
| 455 | Y | 62 | Low | 65.6 | Low | 101 Ų | 101 | 58.3 Ų | 58.3 | 40% | 0.396 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 10.2 | 175.4 | -57.7 | -72.5 | 0 | 0 | 0 | 113.8 | D453 R488 T489 | D453-Y455 PolarHBondContact O-N 2.97Å; D453-Y455 PolarHBondContact OD1-N 3.17Å; Y455-R488 HydrophobicContact CG-CB 4.28Å; Y455-T489 HydrophobicContact CD2-CG2 4.28Å; Y455-T489 HydrophobicContact CE1-CG2 4.08Å; Y455-T489 HydrophobicContact CE2-CG2 3.8Å |
| 456 | G | 64 | Low | 67 | Low | 5 Ų | 5 | 58.7 Ų | 58.7 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | trans | 70 | -179.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D453 R488 | D453-G456 PolarHBondContact O-N 2.75Å; G456-R488 PolarHBondContact O-NH1 3.05Å | ||
| 457 | P | 68.3 | Low | 68.6 | Low | 38 Ų | 38 | 55.9 Ų | 55.9 | 25% | 0.247 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -62.1 | 152.5 | -178.5 | 24.8 | -33.7 | 0 | 0 | 0 | 112.5 | I504 Y506 | P457-I504 WeakPolarHBondContact CD-O 3.42Å; P457-Y506 HydrophobicContact CG-CD2 4.01Å; P457-Y506 HydrophobicContact CG-CE2 4.02Å |
| 458 | L | 73.8 | Confident | 69.8 | Low | 38 Ų | 38 | 57 Ų | 57 | 20% | 0.199 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 146 | 178.2 | -87.3 | 175.1 | 0 | 0 | 0 | 112.1 | W462 K464 F474 P487 R488 | L458-W462 HydrophobicContact CB-CB 4.17Å; L458-W462 HydrophobicContact CD1-CB 4.31Å; L458-W462 HydrophobicContact CD2-CB 4.2Å; L458-W462 HydrophobicContact CG-CB 4.48Å; L458-K464 HydrophobicContact CD1-CB 3.84Å; L458-F474 HydrophobicContact CD1-CD1 4.08Å; L458-F474 HydrophobicContact CD1-CE1 4.32Å; L458-F474 HydrophobicContact CD2-CD1 3.96Å; L458-F474 HydrophobicContact CD2-CE1 4.07Å; L458-P487 HydrophobicContact CD2-CG 3.52Å; L458-R488 HydrophobicContact CD2-CG 4.44Å |
| 459 | P | 74.3 | Confident | 70.8 | Confident | 37 Ų | 37 | 60.6 Ų | 60.6 | 24% | 0.24 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 152.2 | 179.3 | -19.4 | 31.2 | 0 | 0 | 0 | 112.2 | G461 W462 R488 | P459-G461 PolarHBondContact O-N 2.81Å; P459-W462 WeakPolarHBondContact O-CB 3.46Å; P459-W462 PolarHBondContact O-N 3.37Å; P459-R488 HydrophobicContact CG-CG 4.37Å |
| 460 | P | 73.9 | Confident | 71.7 | Confident | 90 Ų | 90 | 64.6 Ų | 64.6 | 58% | 0.584 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 123.3 | -175.9 | -29.8 | 36.2 | 0 | 0 | 0 | 113.9 | N478 | P460-N478 PolarHBondContact O-ND2 2.99Š|
| 461 | G | 76.3 | Confident | 73 | Confident | 28 Ų | 28 | 68.6 Ų | 68.6 | 29% | 0.289 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91 | 0.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | P459 H477 | P459-G461 PolarHBondContact O-N 2.81Å; G461-H477 WeakPolarHBondContact O-CB 3.33Å; G461-H477 PolarHBondContact O-CD2 3.02Å; G461-H477 PolarHBondContact O-N 3.01Å |
| 462 | W | 81 | Confident | 74.2 | Confident | 53 Ų | 53 | 69.3 Ų | 69.3 | 20% | 0.201 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 145.1 | 170.1 | -67.1 | 82.4 | 0 | 0 | 0 | 112.3 | L458 P459 F474 V475 N476 Q483 P487 | L458-W462 HydrophobicContact CB-CB 4.17Å; L458-W462 HydrophobicContact CD1-CB 4.31Å; L458-W462 HydrophobicContact CD2-CB 4.2Å; L458-W462 HydrophobicContact CG-CB 4.48Å; P459-W462 WeakPolarHBondContact O-CB 3.46Å; P459-W462 PolarHBondContact O-N 3.37Å; W462-F474 HydrophobicContact CE3-CB 4.17Å; W462-F474 HydrophobicContact CZ3-CB 4.35Å; W462-V475 CarbonylContact C-O 3.54Å; W462-V475 WeakPolarHBondContact CA-O 3.41Å; W462-N476 HydrophobicContact CD2-CB 3.84Å; W462-N476 HydrophobicContact CE3-CB 3.68Å; W462-N476 HydrophobicContact CH2-CB 3.88Å; W462-N476 HydrophobicContact CZ2-CB 4.02Å; W462-N476 WeakPolarHBondContact CZ2-ND2 3.3Å; W462-N476 HydrophobicContact CZ3-CB 3.7Å; W462-Q483 VanDerWaalsContact CH2-OE1 3.29Å; W462-Q483 VanDerWaalsContact CZ3-CD 3.5Å; W462-Q483 HydrophobicContact CZ3-CG 3.98Å; W462-P487 HydrophobicContact CD2-CB 3.78Å; W462-P487 HydrophobicContact CD2-CG 3.7Å; W462-P487 HydrophobicContact CE3-CB 3.8Å; W462-P487 HydrophobicContact CE3-CG 3.61Å; W462-P487 HydrophobicContact CG-CG 4.16Å; W462-P487 HydrophobicContact CH2-CB 3.69Å; W462-P487 HydrophobicContact CH2-CG 4.41Å; W462-P487 HydrophobicContact CZ2-CB 3.66Å; W462-P487 HydrophobicContact CZ2-CG 4.49Å; W462-P487 HydrophobicContact CZ3-CB 3.76Å; W462-P487 HydrophobicContact CZ3-CG 3.99Å |
| 463 | E | 83.8 | Confident | 75.9 | Confident | 70 Ų | 70 | 70.2 Ų | 70.2 | 33% | 0.327 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 129.5 | 178.2 | -173.4 | -167.4 | 151.6 | 0 | 0 | 110.4 | R465 F474 V475 H477 | E463-R465 VanDerWaalsContact CD-NE 3.26Å; E463-R465 VanDerWaalsContact CD-NH2 3.35Å; E463-R465 HydrophobicContact CG-CG 4.31Å; E463-R465 IonicContact OE1-CZ 2.79Å; E463-R465 IonicContact OE1-NE 2.88Å; E463-R465 PolarHBondContact OE1-NE 3.32Å; E463-R465 IonicContact OE1-NH2 3.37Å; E463-R465 PolarHBondContact OE1-NH2 2.68Å; E463-R465 IonicContact OE2-CZ 3.41Å; E463-R465 IonicContact OE2-NE 3.35Å; E463-R465 PolarHBondContact OE2-NE 3.28Å; E463-R465 IonicContact OE2-NH2 2.67Å; E463-R465 PolarHBondContact OE2-NH2 3.24Å; E463-F474 WeakPolarHBondContact O-CA 3.5Å; E463-V475 HydrophobicContact CB-CB 4.41Å; E463-V475 PolarHBondContact N-O 2.87Å; E463-V475 PolarHBondContact O-N 2.92Å; E463-H477 IonicContact OE2-CD2 3.08Å; E463-H477 IonicContact OE2-CE1 2.73Å; E463-H477 PolarHBondContact OE2-CE1 2.62Å; E463-H477 IonicContact OE2-NE2 3.4Å; E463-H477 PolarHBondContact OE2-NE2 3.42Å |
| 464 | K | 82.4 | Confident | 77.1 | Confident | 99 Ų | 99 | 69.7 Ų | 69.7 | 43% | 0.43 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 125.8 | 172.1 | -170.9 | 172.2 | -177.1 | 171.4 | 0 | 109.2 | D453 L458 V472 F474 | D453-K464 IonicContact OD2-NZ 3.52Å; L458-K464 HydrophobicContact CD1-CB 3.84Å; K464-V472 HydrophobicContact CD-CG1 4.39Å; K464-V472 HydrophobicContact CG-CG1 3.85Å; K464-F474 HydrophobicContact CB-CD1 4.25Å; K464-F474 HydrophobicContact CB-CE1 4.09Å; K464-F474 HydrophobicContact CD-CE1 4.13Å; K464-F474 HydrophobicContact CG-CD1 4.36Å; K464-F474 HydrophobicContact CG-CE1 3.84Å; K464-F474 HydrophobicContact CG-CZ 4.36Å |
| 465 | R | 82.7 | Confident | 78.5 | Confident | 92 Ų | 92 | 66.3 Ų | 66.3 | 35% | 0.347 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 168.9 | 175 | -68.8 | -167.7 | -178.8 | 161.1 | 7.3 | 110.9 | E463 V472 Y473 V475 | E463-R465 VanDerWaalsContact CD-NE 3.26Å; E463-R465 VanDerWaalsContact CD-NH2 3.35Å; E463-R465 HydrophobicContact CG-CG 4.31Å; E463-R465 IonicContact OE1-CZ 2.79Å; E463-R465 IonicContact OE1-NE 2.88Å; E463-R465 PolarHBondContact OE1-NE 3.32Å; E463-R465 IonicContact OE1-NH2 3.37Å; E463-R465 PolarHBondContact OE1-NH2 2.68Å; E463-R465 IonicContact OE2-CZ 3.41Å; E463-R465 IonicContact OE2-NE 3.35Å; E463-R465 PolarHBondContact OE2-NE 3.28Å; E463-R465 IonicContact OE2-NH2 2.67Å; E463-R465 PolarHBondContact OE2-NH2 3.24Å; R465-V472 WeakPolarHBondContact O-CA 3.16Å; R465-Y473 HydrophobicContact CB-CD1 3.98Å; R465-Y473 HydrophobicContact CB-CD2 4.31Å; R465-Y473 HydrophobicContact CB-CE1 3.51Å; R465-Y473 HydrophobicContact CB-CE2 3.88Å; R465-Y473 HydrophobicContact CB-CG 4.36Å; R465-Y473 VanDerWaalsContact CB-CZ 3.45Å; R465-Y473 VanDerWaalsContact CD-OH 3.31Å; R465-Y473 WeakPolarHBondContact CD-OH 3.31Å; R465-Y473 HydrophobicContact CG-CE2 4.48Å; R465-Y473 PolarHBondContact N-O 3.49Å; R465-Y473 PolarHBondContact O-N 2.73Å; R465-Y473 VanDerWaalsContact O-O 3.11Å; R465-V475 HydrophobicContact CG-CG2 4.13Å |
| 466 | V | 83.7 | Confident | 79.7 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 47% | 0.473 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 138.5 | 176.3 | -174.4 | 0 | 0 | 0 | 0 | 107.4 | D470 R471 V472 | V466-D470 VanDerWaalsContact CG1-CA 3.49Å; V466-D470 HydrophobicContact CG1-CB 4.47Å; V466-R471 CarbonylContact C-O 3.58Å; V466-R471 WeakPolarHBondContact CA-O 3.4Å; V466-V472 HydrophobicContact CG2-CG2 4.48Å |
| 467 | D | 82 | Confident | 80.6 | Confident | 34 Ų | 34 | 65.1 Ų | 65.1 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | trans | -86.7 | -179.9 | 176.4 | 80.5 | -0.2 | 0 | 0 | 0 | 112.4 | T469 D470 R471 Y473 | D467-T469 PolarHBondContact O-N 3.33Å; D467-T469 VanDerWaalsContact OD1-CA 3.31Å; D467-T469 WeakPolarHBondContact OD1-CA 3.26Å; D467-T469 WeakPolarHBondContact OD1-CB 3.48Å; D467-T469 PolarHBondContact OD1-N 2.97Å; D467-T469 PolarHBondContact OD1-OG1 3.47Å; D467-T469 PolarHBondContact OD2-OG1 3.18Å; D467-T469 VanDerWaalsContact OD2-OG1 3.04Å; D467-D470 PolarHBondContact O-N 3.46Å; D467-D470 PolarHBondContact OD1-N 3.42Å; D467-R471 PolarHBondContact N-O 3.19Å; D467-R471 PolarHBondContact OD1-N 3.02Å; D467-R471 IonicContact OD1-NE 3.58Å; D467-R471 IonicContact OD2-CZ 3.5Å; D467-R471 VanDerWaalsContact OD2-CZ 3.31Å; D467-R471 IonicContact OD2-NE 2.8Å; D467-R471 PolarHBondContact OD2-NE 2.64Å; D467-R471 VanDerWaalsContact OD2-NE 3.14Å; D467-R471 IonicContact OD2-NH2 3.73Å; D467-R471 PolarHBondContact OD2-NH2 3.16Å; D467-Y473 HydrophobicContact CB-CD1 4.29Å; D467-Y473 HydrophobicContact CB-CE1 4.2Å | ||
| 468 | S | 83.1 | Confident | 81.2 | Confident | 129 Ų | 129 | 68.8 Ų | 68.8 | 90% | 0.902 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 11.9 | 179 | 60.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 469 | T | 80.8 | Confident | 81.8 | Confident | 84 Ų | 84 | 70.9 Ų | 70.9 | 52% | 0.515 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | 21.4 | 176.9 | 58.6 | 0 | 0 | 0 | 0 | 111.9 | D467 R471 | D467-T469 PolarHBondContact O-N 3.33Å; D467-T469 VanDerWaalsContact OD1-CA 3.31Å; D467-T469 WeakPolarHBondContact OD1-CA 3.26Å; D467-T469 WeakPolarHBondContact OD1-CB 3.48Å; D467-T469 PolarHBondContact OD1-N 2.97Å; D467-T469 PolarHBondContact OD1-OG1 3.47Å; D467-T469 PolarHBondContact OD2-OG1 3.18Å; D467-T469 VanDerWaalsContact OD2-OG1 3.04Å; T469-R471 PolarHBondContact O-N 2.79Å; T469-R471 VanDerWaalsContact O-N 3.17Å; T469-R471 PolarHBondContact OG1-NE 3.16Å |
| 470 | D | 73.6 | Confident | 82.6 | Confident | 147 Ų | 147 | 76.6 Ų | 76.6 | 79% | 0.786 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 57.8 | 18.7 | -175.5 | -74.9 | -38.8 | 0 | 0 | 0 | 115.2 | V466 D467 | V466-D470 VanDerWaalsContact CG1-CA 3.49Å; V466-D470 HydrophobicContact CG1-CB 4.47Å; D467-D470 PolarHBondContact O-N 3.46Å; D467-D470 PolarHBondContact OD1-N 3.42Å |
| 471 | R | 79.6 | Confident | 83 | Confident | 137 Ų | 137 | 75.6 Ų | 75.6 | 52% | 0.517 | 39% | 0.393 | S | S | . | . | trans | -88.7 | 131.5 | 176.6 | -60.3 | -179 | -59.1 | 156.3 | 4.1 | 111 | V466 D467 T469 W484 | V466-R471 CarbonylContact C-O 3.58Å; V466-R471 WeakPolarHBondContact CA-O 3.4Å; D467-R471 PolarHBondContact N-O 3.19Å; D467-R471 PolarHBondContact OD1-N 3.02Å; D467-R471 IonicContact OD1-NE 3.58Å; D467-R471 IonicContact OD2-CZ 3.5Å; D467-R471 VanDerWaalsContact OD2-CZ 3.31Å; D467-R471 IonicContact OD2-NE 2.8Å; D467-R471 PolarHBondContact OD2-NE 2.64Å; D467-R471 VanDerWaalsContact OD2-NE 3.14Å; D467-R471 IonicContact OD2-NH2 3.73Å; D467-R471 PolarHBondContact OD2-NH2 3.16Å; T469-R471 PolarHBondContact O-N 2.79Å; T469-R471 VanDerWaalsContact O-N 3.17Å; T469-R471 PolarHBondContact OG1-NE 3.16Å; R471-W484 HydrophobicContact CB-CZ3 4.07Å | ||
| 472 | V | 82.5 | Confident | 83.7 | Confident | 58 Ų | 58 | 78.9 Ų | 78.9 | 35% | 0.352 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 138 | 177.8 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | K464 R465 V466 F474 | K464-V472 HydrophobicContact CD-CG1 4.39Å; K464-V472 HydrophobicContact CG-CG1 3.85Å; R465-V472 WeakPolarHBondContact O-CA 3.16Å; V466-V472 HydrophobicContact CG2-CG2 4.48Å; V472-F474 HydrophobicContact CG1-CD2 4.47Å; V472-F474 HydrophobicContact CG1-CE1 4.42Å; V472-F474 HydrophobicContact CG1-CE2 3.73Å; V472-F474 HydrophobicContact CG1-CZ 3.71Å |
| 473 | Y | 85.6 | Confident | 83.9 | Confident | 53 Ų | 53 | 77.9 Ų | 77.9 | 21% | 0.208 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 160.5 | 166.9 | 72.5 | -82.9 | 0 | 0 | 0 | 110.6 | R465 D467 V475 Q483 W484 | R465-Y473 HydrophobicContact CB-CD1 3.98Å; R465-Y473 HydrophobicContact CB-CD2 4.31Å; R465-Y473 HydrophobicContact CB-CE1 3.51Å; R465-Y473 HydrophobicContact CB-CE2 3.88Å; R465-Y473 HydrophobicContact CB-CG 4.36Å; R465-Y473 VanDerWaalsContact CB-CZ 3.45Å; R465-Y473 VanDerWaalsContact CD-OH 3.31Å; R465-Y473 WeakPolarHBondContact CD-OH 3.31Å; R465-Y473 HydrophobicContact CG-CE2 4.48Å; R465-Y473 PolarHBondContact N-O 3.49Å; R465-Y473 PolarHBondContact O-N 2.73Å; R465-Y473 VanDerWaalsContact O-O 3.11Å; D467-Y473 HydrophobicContact CB-CD1 4.29Å; D467-Y473 HydrophobicContact CB-CE1 4.2Å; Y473-V475 HydrophobicContact CD2-CG2 4.03Å; Y473-V475 HydrophobicContact CE2-CG2 3.6Å; Y473-Q483 WeakPolarHBondContact CA-O 3.18Å; Y473-Q483 WeakPolarHBondContact CB-O 3.24Å; Y473-W484 HydrophobicContact CD1-CZ3 4.49Å |
| 474 | F | 87.3 | Confident | 83.8 | Confident | 7 Ų | 7 | 80.8 Ų | 80.8 | 3% | 0.031 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 132 | -174.1 | -60.1 | -90.8 | 0 | 0 | 0 | 110.6 | L458 W462 E463 K464 V472 T482 Q483 E485 D486 P487 | L458-F474 HydrophobicContact CD1-CD1 4.08Å; L458-F474 HydrophobicContact CD1-CE1 4.32Å; L458-F474 HydrophobicContact CD2-CD1 3.96Å; L458-F474 HydrophobicContact CD2-CE1 4.07Å; W462-F474 HydrophobicContact CE3-CB 4.17Å; W462-F474 HydrophobicContact CZ3-CB 4.35Å; E463-F474 WeakPolarHBondContact O-CA 3.5Å; K464-F474 HydrophobicContact CB-CD1 4.25Å; K464-F474 HydrophobicContact CB-CE1 4.09Å; K464-F474 HydrophobicContact CD-CE1 4.13Å; K464-F474 HydrophobicContact CG-CD1 4.36Å; K464-F474 HydrophobicContact CG-CE1 3.84Å; K464-F474 HydrophobicContact CG-CZ 4.36Å; V472-F474 HydrophobicContact CG1-CD2 4.47Å; V472-F474 HydrophobicContact CG1-CE1 4.42Å; V472-F474 HydrophobicContact CG1-CE2 3.73Å; V472-F474 HydrophobicContact CG1-CZ 3.71Å; F474-T482 CarbonylContact O-C 3.59Å; F474-T482 VanDerWaalsContact O-CA 3.28Å; F474-T482 WeakPolarHBondContact O-CA 3.3Å; F474-Q483 HydrophobicContact CB-CG 4.14Å; F474-Q483 PolarHBondContact N-O 3.1Å; F474-Q483 PolarHBondContact O-N 3.43Å; F474-E485 WeakPolarHBondContact CD2-O 3.44Å; F474-D486 HydrophobicContact CE1-CB 4.48Å; F474-D486 WeakPolarHBondContact CE1-OD2 2.98Å; F474-D486 HydrophobicContact CE2-CB 3.88Å; F474-D486 HydrophobicContact CZ-CB 3.79Å; F474-D486 WeakPolarHBondContact CZ-OD2 3.12Å; F474-P487 HydrophobicContact CD1-CG 4.4Å |
| 475 | V | 88 | Confident | 83.5 | Confident | 14 Ų | 14 | 81 Ų | 81 | 9% | 0.085 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.5 | 179.2 | -174.1 | 0 | 0 | 0 | 0 | 109 | W462 E463 R465 Y473 T482 | W462-V475 CarbonylContact C-O 3.54Å; W462-V475 WeakPolarHBondContact CA-O 3.41Å; E463-V475 HydrophobicContact CB-CB 4.41Å; E463-V475 PolarHBondContact N-O 2.87Å; E463-V475 PolarHBondContact O-N 2.92Å; R465-V475 HydrophobicContact CG-CG2 4.13Å; Y473-V475 HydrophobicContact CD2-CG2 4.03Å; Y473-V475 HydrophobicContact CE2-CG2 3.6Å; V475-T482 HydrophobicContact CB-CG2 4.41Å; V475-T482 HydrophobicContact CG1-CG2 4.21Å; V475-T482 HydrophobicContact CG2-CG2 4Å |
| 476 | N | 86.4 | Confident | 83.1 | Confident | 13 Ų | 13 | 77.7 Ų | 77.7 | 7% | 0.07 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 109.5 | 171.8 | -175.1 | -27.2 | 0 | 0 | 0 | 109.5 | W462 N478 T479 K480 T481 | W462-N476 HydrophobicContact CD2-CB 3.84Å; W462-N476 HydrophobicContact CE3-CB 3.68Å; W462-N476 HydrophobicContact CH2-CB 3.88Å; W462-N476 HydrophobicContact CZ2-CB 4.02Å; W462-N476 WeakPolarHBondContact CZ2-ND2 3.3Å; W462-N476 HydrophobicContact CZ3-CB 3.7Å; N476-N478 VanDerWaalsContact C-N 3.29Å; N476-N478 PolarHBondContact O-N 2.83Å; N476-N478 WeakPolarHBondContact OD1-CA 3.48Å; N476-N478 VanDerWaalsContact OD1-CB 3.28Å; N476-N478 WeakPolarHBondContact OD1-CB 3.42Å; N476-N478 PolarHBondContact OD1-N 2.73Å; N476-T479 VanDerWaalsContact CB-OG1 3.26Å; N476-T479 WeakPolarHBondContact CB-OG1 3.45Å; N476-T479 PolarHBondContact ND2-OG1 3.04Å; N476-T479 PolarHBondContact OD1-N 2.85Å; N476-T479 VanDerWaalsContact OD1-N 3.1Å; N476-T479 PolarHBondContact OD1-OG1 3.28Å; N476-K480 WeakPolarHBondContact O-CA 3.13Å; N476-K480 PolarHBondContact O-N 2.81Å; N476-T481 PolarHBondContact N-O 2.93Å; N476-T481 PolarHBondContact O-N 2.8Å |
| 477 | H | 84.1 | Confident | 82.6 | Confident | 69 Ų | 69 | 75 Ų | 75 | 32% | 0.319 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -16.1 | 178.8 | -70.6 | -80.3 | 0 | 0 | 0 | 114 | G461 E463 K480 | G461-H477 WeakPolarHBondContact O-CB 3.33Å; G461-H477 PolarHBondContact O-CD2 3.02Å; G461-H477 PolarHBondContact O-N 3.01Å; E463-H477 IonicContact OE2-CD2 3.08Å; E463-H477 IonicContact OE2-CE1 2.73Å; E463-H477 PolarHBondContact OE2-CE1 2.62Å; E463-H477 IonicContact OE2-NE2 3.4Å; E463-H477 PolarHBondContact OE2-NE2 3.42Å; H477-K480 WeakPolarHBondContact O-CD 3.22Å; H477-K480 WeakPolarHBondContact O-CE 3.14Å; H477-K480 PolarHBondContact O-NZ 2.9Å |
| 478 | N | 81.2 | Confident | 82.1 | Confident | 114 Ų | 114 | 75 Ų | 75 | 61% | 0.61 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -43.3 | 177.9 | -52.6 | -30.3 | 0 | 0 | 0 | 110.4 | P460 N476 | P460-N478 PolarHBondContact O-ND2 2.99Å; N476-N478 VanDerWaalsContact C-N 3.29Å; N476-N478 PolarHBondContact O-N 2.83Å; N476-N478 WeakPolarHBondContact OD1-CA 3.48Å; N476-N478 VanDerWaalsContact OD1-CB 3.28Å; N476-N478 WeakPolarHBondContact OD1-CB 3.42Å; N476-N478 PolarHBondContact OD1-N 2.73Å |
| 479 | T | 86.3 | Confident | 81.3 | Confident | 82 Ų | 82 | 71 Ų | 71 | 50% | 0.503 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -12.5 | 179.1 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | N476 T481 | N476-T479 VanDerWaalsContact CB-OG1 3.26Å; N476-T479 WeakPolarHBondContact CB-OG1 3.45Å; N476-T479 PolarHBondContact ND2-OG1 3.04Å; N476-T479 PolarHBondContact OD1-N 2.85Å; N476-T479 VanDerWaalsContact OD1-N 3.1Å; N476-T479 PolarHBondContact OD1-OG1 3.28Å; T479-T481 VanDerWaalsContact C-N 3.26Å; T479-T481 PolarHBondContact O-N 3.14Å; T479-T481 PolarHBondContact OG1-OG1 3.38Å |
| 480 | K | 89.8 | Confident | 80.2 | Confident | 158 Ų | 158 | 71.9 Ų | 71.9 | 69% | 0.687 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 30.6 | -171.2 | -52.9 | -54.5 | -175.1 | -162.5 | 0 | 114.1 | N476 H477 | N476-K480 WeakPolarHBondContact O-CA 3.13Å; N476-K480 PolarHBondContact O-N 2.81Å; H477-K480 WeakPolarHBondContact O-CD 3.22Å; H477-K480 WeakPolarHBondContact O-CE 3.14Å; H477-K480 PolarHBondContact O-NZ 2.9Å |
| 481 | T | 84.1 | Confident | 79.2 | Confident | 69 Ų | 69 | 68.3 Ų | 68.3 | 42% | 0.423 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 161.4 | 176.7 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | N476 T479 | N476-T481 PolarHBondContact N-O 2.93Å; N476-T481 PolarHBondContact O-N 2.8Å; T479-T481 VanDerWaalsContact C-N 3.26Å; T479-T481 PolarHBondContact O-N 3.14Å; T479-T481 PolarHBondContact OG1-OG1 3.38Å |
| 482 | T | 89.2 | Confident | 77.8 | Confident | 97 Ų | 97 | 66.2 Ų | 66.2 | 60% | 0.595 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 143.4 | 173.9 | 58 | 0 | 0 | 0 | 0 | 110.7 | F474 V475 | F474-T482 CarbonylContact O-C 3.59Å; F474-T482 VanDerWaalsContact O-CA 3.28Å; F474-T482 WeakPolarHBondContact O-CA 3.3Å; V475-T482 HydrophobicContact CB-CG2 4.41Å; V475-T482 HydrophobicContact CG1-CG2 4.21Å; V475-T482 HydrophobicContact CG2-CG2 4Å |
| 483 | Q | 85.3 | Confident | 75.9 | Confident | 31 Ų | 31 | 72.6 Ų | 72.6 | 15% | 0.145 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 164.1 | 179.9 | 64 | -173.1 | 51.2 | 0 | 0 | 111.1 | W462 Y473 F474 E485 Q490 | W462-Q483 VanDerWaalsContact CH2-OE1 3.29Å; W462-Q483 VanDerWaalsContact CZ3-CD 3.5Å; W462-Q483 HydrophobicContact CZ3-CG 3.98Å; Y473-Q483 WeakPolarHBondContact CA-O 3.18Å; Y473-Q483 WeakPolarHBondContact CB-O 3.24Å; F474-Q483 HydrophobicContact CB-CG 4.14Å; F474-Q483 PolarHBondContact N-O 3.1Å; F474-Q483 PolarHBondContact O-N 3.43Å; Q483-E485 WeakPolarHBondContact CG-O 3.29Å; Q483-E485 PolarHBondContact NE2-O 3.09Å; Q483-Q490 VanDerWaalsContact NE2-NE2 3.2Å |
| 484 | W | 82 | Confident | 74.2 | Confident | 132 Ų | 132 | 77.4 Ų | 77.4 | 50% | 0.5 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -96.1 | -28.5 | -179 | -62.7 | 96.8 | 0 | 0 | 0 | 112.1 | R471 Y473 | R471-W484 HydrophobicContact CB-CZ3 4.07Å; Y473-W484 HydrophobicContact CD1-CZ3 4.49Å |
| 485 | E | 76.4 | Confident | 72.8 | Confident | 104 Ų | 104 | 79.6 Ų | 79.6 | 49% | 0.486 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -82.3 | 145 | -179.2 | -46.7 | 71 | -158.9 | 0 | 0 | 110.5 | F474 Q483 Q490 | F474-E485 WeakPolarHBondContact CD2-O 3.44Å; Q483-E485 WeakPolarHBondContact CG-O 3.29Å; Q483-E485 PolarHBondContact NE2-O 3.09Å; E485-Q490 HydrophobicContact CB-CG 4.23Å |
| 486 | D | 74.6 | Confident | 71.7 | Confident | 22 Ų | 22 | 85.8 Ų | 85.8 | 12% | 0.118 | 45% | 0.445 | C | S | . | . | trans | -69.2 | 126.2 | -178.7 | -162.9 | -55.3 | 0 | 0 | 0 | 111.3 | F474 R488 T489 Q490 | F474-D486 HydrophobicContact CE1-CB 4.48Å; F474-D486 WeakPolarHBondContact CE1-OD2 2.98Å; F474-D486 HydrophobicContact CE2-CB 3.88Å; F474-D486 HydrophobicContact CZ-CB 3.79Å; F474-D486 WeakPolarHBondContact CZ-OD2 3.12Å; D486-R488 PolarHBondContact O-N 3.05Å; D486-R488 VanDerWaalsContact OD1-CB 3.27Å; D486-R488 WeakPolarHBondContact OD1-CB 3.41Å; D486-R488 IonicContact OD1-CZ 3.51Å; D486-R488 PolarHBondContact OD1-N 2.74Å; D486-R488 IonicContact OD1-NE 2.68Å; D486-R488 PolarHBondContact OD1-NE 2.82Å; D486-R488 IonicContact OD1-NH2 2.71Å; D486-R488 IonicContact OD2-CZ 2.76Å; D486-R488 IonicContact OD2-NE 3.47Å; D486-R488 PolarHBondContact OD2-NE 3.01Å; D486-R488 IonicContact OD2-NH2 3.19Å; D486-R488 PolarHBondContact OD2-NH2 2.89Å; D486-T489 HydrophobicContact CB-CG2 4.06Å; D486-T489 PolarHBondContact O-N 2.82Å; D486-T489 PolarHBondContact O-OG1 3.27Å; D486-Q490 PolarHBondContact O-N 3.38Å | ||
| 487 | P | 72.8 | Confident | 71 | Confident | 20 Ų | 20 | 89.9 Ų | 89.9 | 13% | 0.13 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -14.9 | 179.2 | 28.5 | -38.3 | 0 | 0 | 0 | 113.5 | L458 W462 F474 | L458-P487 HydrophobicContact CD2-CG 3.52Å; W462-P487 HydrophobicContact CD2-CB 3.78Å; W462-P487 HydrophobicContact CD2-CG 3.7Å; W462-P487 HydrophobicContact CE3-CB 3.8Å; W462-P487 HydrophobicContact CE3-CG 3.61Å; W462-P487 HydrophobicContact CG-CG 4.16Å; W462-P487 HydrophobicContact CH2-CB 3.69Å; W462-P487 HydrophobicContact CH2-CG 4.41Å; W462-P487 HydrophobicContact CZ2-CB 3.66Å; W462-P487 HydrophobicContact CZ2-CG 4.49Å; W462-P487 HydrophobicContact CZ3-CB 3.76Å; W462-P487 HydrophobicContact CZ3-CG 3.99Å; F474-P487 HydrophobicContact CD1-CG 4.4Å |
| 488 | R | 72.4 | Confident | 70.6 | Confident | 34 Ų | 34 | 88.4 Ų | 88.4 | 13% | 0.128 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -21.7 | 174.3 | -60 | 163 | -69.7 | -171.8 | 6.3 | 112.7 | D453 Y455 G456 L458 P459 D486 | D453-R488 VanDerWaalsContact CG-CZ 3.49Å; D453-R488 VanDerWaalsContact CG-NH2 3.31Å; D453-R488 IonicContact OD1-CZ 3.6Å; D453-R488 IonicContact OD1-NH1 3.9Å; D453-R488 PolarHBondContact OD1-NH1 3.46Å; D453-R488 IonicContact OD1-NH2 2.94Å; D453-R488 PolarHBondContact OD1-NH2 2.9Å; D453-R488 IonicContact OD2-CZ 2.89Å; D453-R488 VanDerWaalsContact OD2-CZ 3.29Å; D453-R488 IonicContact OD2-NH1 3.74Å; D453-R488 PolarHBondContact OD2-NH1 2.8Å; D453-R488 IonicContact OD2-NH2 2.87Å; D453-R488 PolarHBondContact OD2-NH2 3.25Å; Y455-R488 HydrophobicContact CG-CB 4.28Å; G456-R488 PolarHBondContact O-NH1 3.05Å; L458-R488 HydrophobicContact CD2-CG 4.44Å; P459-R488 HydrophobicContact CG-CG 4.37Å; D486-R488 PolarHBondContact O-N 3.05Å; D486-R488 VanDerWaalsContact OD1-CB 3.27Å; D486-R488 WeakPolarHBondContact OD1-CB 3.41Å; D486-R488 IonicContact OD1-CZ 3.51Å; D486-R488 PolarHBondContact OD1-N 2.74Å; D486-R488 IonicContact OD1-NE 2.68Å; D486-R488 PolarHBondContact OD1-NE 2.82Å; D486-R488 IonicContact OD1-NH2 2.71Å; D486-R488 IonicContact OD2-CZ 2.76Å; D486-R488 IonicContact OD2-NE 3.47Å; D486-R488 PolarHBondContact OD2-NE 3.01Å; D486-R488 IonicContact OD2-NH2 3.19Å; D486-R488 PolarHBondContact OD2-NH2 2.89Å |
| 489 | T | 66.6 | Low | 70.7 | Confident | 47 Ų | 47 | 85.8 Ų | 85.8 | 29% | 0.288 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -20.5 | 176.1 | 64.3 | 0 | 0 | 0 | 0 | 113 | Y455 D486 G491 L492 | Y455-T489 HydrophobicContact CD2-CG2 4.28Å; Y455-T489 HydrophobicContact CE1-CG2 4.08Å; Y455-T489 HydrophobicContact CE2-CG2 3.8Å; D486-T489 HydrophobicContact CB-CG2 4.06Å; D486-T489 PolarHBondContact O-N 2.82Å; D486-T489 PolarHBondContact O-OG1 3.27Å; T489-G491 VanDerWaalsContact C-N 3.31Å; T489-G491 PolarHBondContact O-N 2.87Å; T489-L492 PolarHBondContact O-N 3.29Å |
| 490 | Q | 56.1 | Low | 70.2 | Confident | 102 Ų | 102 | 87.9 Ų | 87.9 | 48% | 0.477 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 80.7 | 174.1 | -73.3 | -176.6 | -20 | 0 | 0 | 112.5 | Q483 E485 D486 | Q483-Q490 VanDerWaalsContact NE2-NE2 3.2Å; E485-Q490 HydrophobicContact CB-CG 4.23Å; D486-Q490 PolarHBondContact O-N 3.38Å |
| 491 | G | 53.8 | Low | 69.6 | Low | 71 Ų | 71 | 80.5 Ų | 80.5 | 73% | 0.732 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 142.4 | -16.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115 | T489 | T489-G491 VanDerWaalsContact C-N 3.31Å; T489-G491 PolarHBondContact O-N 2.87Å |
| 492 | L | 49.4 | Very low | 69.5 | Low | 93 Ų | 93 | 79.5 Ų | 79.5 | 49% | 0.487 | 42% | 0.417 | S | S | . | . | trans | -136.2 | 99.3 | 177.2 | -71.7 | 93.4 | 0 | 0 | 0 | 110.3 | T489 N494 E495 | T489-L492 PolarHBondContact O-N 3.29Å; L492-N494 VanDerWaalsContact C-N 3.32Å; L492-E495 HydrophobicContact CD2-CG 3.85Å; L492-E495 WeakPolarHBondContact CD2-OE1 3.39Å | ||
| 493 | Q | 41.8 | Very low | 69.1 | Low | 192 Ų | 192 | 75.1 Ų | 75.1 | 90% | 0.897 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -81.2 | -9.3 | 174.3 | -71.7 | -177.4 | -32.5 | 0 | 0 | 113.6 | ||
| 494 | N | 50.3 | Low | 68.9 | Low | 155 Ų | 155 | 74.1 Ų | 74.1 | 83% | 0.829 | 39% | 0.385 | S | S | * | . | trans | -126 | 30.9 | -167.8 | -64.5 | 6.4 | 0 | 0 | 0 | 113.8 | L492 | L492-N494 VanDerWaalsContact C-N 3.32Š| ||
| 495 | E | 58.7 | Low | 68.7 | Low | 52 Ų | 52 | 69.6 Ų | 69.6 | 24% | 0.243 | 37% | 0.368 | C | S | . | . | trans | -96.5 | 114.5 | 169.4 | -99.8 | -171 | -168.3 | 0 | 0 | 111 | L492 R528 | L492-E495 HydrophobicContact CD2-CG 3.85Å; L492-E495 WeakPolarHBondContact CD2-OE1 3.39Å; E495-R528 IonicContact OE1-NH2 2.64Å; E495-R528 IonicContact OE2-CZ 3.55Å; E495-R528 VanDerWaalsContact OE2-CZ 3.3Å; E495-R528 IonicContact OE2-NH1 3.65Å; E495-R528 PolarHBondContact OE2-NH1 3.24Å; E495-R528 VanDerWaalsContact OE2-NH1 3.12Å; E495-R528 IonicContact OE2-NH2 2.91Å; E495-R528 PolarHBondContact OE2-NH2 3.42Å | ||
| 496 | E | 64.3 | Low | 68.8 | Low | 145 Ų | 145 | 67.4 Ų | 67.4 | 68% | 0.678 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 157.2 | 172.4 | -68 | 179.9 | 163.9 | 0 | 0 | 111.5 | R528 | E496-R528 WeakPolarHBondContact O-CD 3.18Å; E496-R528 PolarHBondContact O-NH1 3.33Å |
| 497 | P | 71.2 | Confident | 69 | Low | 99 Ų | 99 | 67.8 Ų | 67.8 | 64% | 0.643 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 158.6 | 171.9 | 26.8 | -35.7 | 0 | 0 | 0 | 111.8 | R528 | P497-R528 WeakPolarHBondContact O-CD 3.32Š|
| 498 | L | 75.6 | Confident | 69 | Low | 38 Ų | 38 | 78.9 Ų | 78.9 | 20% | 0.199 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 146.2 | 172.3 | -69.5 | 171.3 | 0 | 0 | 0 | 111.1 | W502 I504 F514 P527 | L498-W502 HydrophobicContact CB-CB 4.2Å; L498-W502 WeakPolarHBondContact CD1-O 3.41Å; L498-I504 HydrophobicContact CD1-CB 4.36Å; L498-I504 HydrophobicContact CD1-CD1 3.89Å; L498-I504 HydrophobicContact CD1-CG1 3.77Å; L498-I504 HydrophobicContact CD2-CD1 3.95Å; L498-I504 HydrophobicContact CD2-CG1 4.06Å; L498-I504 HydrophobicContact CG-CD1 4.15Å; L498-I504 HydrophobicContact CG-CG1 4.4Å; L498-F514 HydrophobicContact CD2-CD1 4.18Å; L498-F514 HydrophobicContact CD2-CE1 4.3Å; L498-P527 HydrophobicContact CD2-CG 4.01Å |
| 499 | P | 83.4 | Confident | 69.1 | Low | 58 Ų | 58 | 84.4 Ų | 84.4 | 38% | 0.377 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 159.3 | 168.9 | -21.5 | 34.3 | 0 | 0 | 0 | 112.2 | G501 W502 P527 | P499-G501 PolarHBondContact O-N 2.8Å; P499-W502 WeakPolarHBondContact O-CB 3.41Å; P499-W502 PolarHBondContact O-N 2.81Å; P499-P527 HydrophobicContact CG-CB 4.2Å; P499-P527 HydrophobicContact CG-CG 4.38Å |
| 500 | E | 76.5 | Confident | 69.4 | Low | 127 Ų | 127 | 83.8 Ų | 83.8 | 59% | 0.593 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 135.1 | -177.5 | -155.1 | -174.7 | 146.4 | 0 | 0 | 111.8 | N518 Q790 | E500-N518 PolarHBondContact O-ND2 3.11Å; E500-Q790 PolarHBondContact OE1-NE2 3.25Å |
| 501 | G | 76.9 | Confident | 70.6 | Confident | 2 Ų | 2 | 81.2 Ų | 81.2 | 2% | 0.021 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 10.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | P499 H517 Y791 | P499-G501 PolarHBondContact O-N 2.8Å; G501-H517 WeakPolarHBondContact O-CB 3.46Å; G501-H517 PolarHBondContact O-CD2 3.48Å; G501-H517 VanDerWaalsContact O-CD2 3.23Å; G501-H517 PolarHBondContact O-N 2.75Å; G501-Y791 VanDerWaalsContact CA-OH 3.32Å; G501-Y791 WeakPolarHBondContact CA-OH 3.38Å; G501-Y791 PolarHBondContact N-OH 2.98Å |
| 502 | W | 82 | Confident | 71.9 | Confident | 49 Ų | 49 | 81.7 Ų | 81.7 | 19% | 0.186 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 137.7 | 174.8 | -71.1 | 74.8 | 0 | 0 | 0 | 113.4 | L498 P499 F514 V515 D516 T523 P527 | L498-W502 HydrophobicContact CB-CB 4.2Å; L498-W502 WeakPolarHBondContact CD1-O 3.41Å; P499-W502 WeakPolarHBondContact O-CB 3.41Å; P499-W502 PolarHBondContact O-N 2.81Å; W502-F514 HydrophobicContact CE3-CB 3.95Å; W502-F514 HydrophobicContact CZ3-CB 3.96Å; W502-V515 VanDerWaalsContact CA-O 3.32Å; W502-V515 WeakPolarHBondContact CA-O 3.47Å; W502-D516 HydrophobicContact CD2-CB 3.97Å; W502-D516 HydrophobicContact CE3-CB 4.04Å; W502-D516 HydrophobicContact CH2-CB 3.82Å; W502-D516 HydrophobicContact CZ2-CB 3.69Å; W502-D516 HydrophobicContact CZ3-CB 3.99Å; W502-T523 HydrophobicContact CH2-CG2 3.98Å; W502-T523 HydrophobicContact CZ3-CG2 3.63Å; W502-P527 HydrophobicContact CD2-CB 3.78Å; W502-P527 HydrophobicContact CD2-CG 3.73Å; W502-P527 HydrophobicContact CE3-CB 3.79Å; W502-P527 HydrophobicContact CE3-CG 3.56Å; W502-P527 HydrophobicContact CG-CB 4.45Å; W502-P527 HydrophobicContact CG-CG 4.16Å; W502-P527 HydrophobicContact CH2-CB 3.92Å; W502-P527 HydrophobicContact CZ2-CB 3.92Å; W502-P527 HydrophobicContact CZ3-CB 3.84Å; W502-P527 HydrophobicContact CZ3-CG 3.99Å |
| 503 | E | 81.2 | Confident | 73.6 | Confident | 5 Ų | 5 | 78.3 Ų | 78.3 | 2% | 0.023 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.9 | 179 | 173.5 | -166.2 | -164.6 | 0 | 0 | 110.1 | R505 F514 V515 H517 S546 W549 | E503-R505 HydrophobicContact CG-CG 3.97Å; E503-R505 IonicContact OE1-CZ 3.45Å; E503-R505 IonicContact OE1-NE 3.97Å; E503-R505 PolarHBondContact OE1-NE 2.87Å; E503-R505 IonicContact OE1-NH2 2.74Å; E503-R505 PolarHBondContact OE1-NH2 3.35Å; E503-R505 IonicContact OE2-CZ 3.9Å; E503-R505 IonicContact OE2-NE 2.68Å; E503-R505 PolarHBondContact OE2-NE 2.88Å; E503-R505 IonicContact OE2-NH2 3.48Å; E503-F514 CarbonylContact O-C 3.5Å; E503-F514 WeakPolarHBondContact O-CA 3.44Å; E503-V515 HydrophobicContact CB-CB 4.23Å; E503-V515 PolarHBondContact N-O 3.43Å; E503-V515 PolarHBondContact O-N 2.81Å; E503-H517 WeakPolarHBondContact CB-NE2 3.36Å; E503-H517 IonicContact OE2-CE1 3.76Å; E503-H517 PolarHBondContact OE2-CE1 3.38Å; E503-H517 IonicContact OE2-NE2 3.61Å; E503-H517 PolarHBondContact OE2-NE2 2.82Å; E503-S546 PolarHBondContact OE1-OG 2.85Å; E503-W549 HydrophobicContact CB-CD2 4.22Å; E503-W549 HydrophobicContact CB-CG 4.29Å; E503-W549 HydrophobicContact CG-CD2 4.41Å; E503-W549 HydrophobicContact CG-CG 3.96Å |
| 504 | I | 80.4 | Confident | 75.7 | Confident | 9 Ų | 9 | 69.2 Ų | 69.2 | 5% | 0.046 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 130.5 | 169 | -79.7 | 163.3 | 0 | 0 | 0 | 109.5 | P457 L498 Y506 R512 F514 | P457-I504 WeakPolarHBondContact CD-O 3.42Å; L498-I504 HydrophobicContact CD1-CB 4.36Å; L498-I504 HydrophobicContact CD1-CD1 3.89Å; L498-I504 HydrophobicContact CD1-CG1 3.77Å; L498-I504 HydrophobicContact CD2-CD1 3.95Å; L498-I504 HydrophobicContact CD2-CG1 4.06Å; L498-I504 HydrophobicContact CG-CD1 4.15Å; L498-I504 HydrophobicContact CG-CG1 4.4Å; I504-Y506 HydrophobicContact CG2-CE2 3.98Å; I504-R512 HydrophobicContact CG2-CG 4.16Å; I504-F514 HydrophobicContact CD1-CD1 4.43Å; I504-F514 HydrophobicContact CD1-CE1 3.93Å; I504-F514 HydrophobicContact CG1-CD1 3.58Å; I504-F514 HydrophobicContact CG1-CE1 3.51Å |
| 505 | R | 78.6 | Confident | 77.3 | Confident | 37 Ų | 37 | 62 Ų | 62 | 14% | 0.14 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 171.9 | 174.6 | -70.2 | -171.9 | 166.5 | -152 | -8.4 | 112.2 | E503 R512 Y513 V515 E544 S546 | E503-R505 HydrophobicContact CG-CG 3.97Å; E503-R505 IonicContact OE1-CZ 3.45Å; E503-R505 IonicContact OE1-NE 3.97Å; E503-R505 PolarHBondContact OE1-NE 2.87Å; E503-R505 IonicContact OE1-NH2 2.74Å; E503-R505 PolarHBondContact OE1-NH2 3.35Å; E503-R505 IonicContact OE2-CZ 3.9Å; E503-R505 IonicContact OE2-NE 2.68Å; E503-R505 PolarHBondContact OE2-NE 2.88Å; E503-R505 IonicContact OE2-NH2 3.48Å; R505-R512 WeakPolarHBondContact O-CA 3.37Å; R505-Y513 HydrophobicContact CB-CD1 4Å; R505-Y513 HydrophobicContact CB-CD2 4.23Å; R505-Y513 HydrophobicContact CB-CE1 3.52Å; R505-Y513 HydrophobicContact CB-CE2 3.77Å; R505-Y513 HydrophobicContact CB-CG 4.35Å; R505-Y513 WeakPolarHBondContact CD-OH 3.36Å; R505-Y513 HydrophobicContact CG-CE2 4.41Å; R505-Y513 PolarHBondContact N-O 2.84Å; R505-Y513 PolarHBondContact O-N 2.79Å; R505-Y513 VanDerWaalsContact O-O 3.05Å; R505-V515 HydrophobicContact CG-CG2 4.32Å; R505-E544 IonicContact CZ-OE2 3.12Å; R505-E544 IonicContact NH1-OE2 2.92Å; R505-E544 PolarHBondContact NH1-OE2 3.45Å; R505-E544 IonicContact NH2-OE2 3.52Å; R505-E544 PolarHBondContact NH2-OE2 2.9Å; R505-S546 PolarHBondContact NH2-OG 3.32Å |
| 506 | Y | 79 | Confident | 78.6 | Confident | 58 Ų | 58 | 60 Ų | 60 | 23% | 0.227 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 143.4 | 174.9 | -62.7 | -90 | 0 | 0 | 0 | 110.2 | P457 I504 G510 V511 R512 | P457-Y506 HydrophobicContact CG-CD2 4.01Å; P457-Y506 HydrophobicContact CG-CE2 4.02Å; I504-Y506 HydrophobicContact CG2-CE2 3.98Å; Y506-G510 WeakPolarHBondContact CD1-O 3.46Å; Y506-V511 CarbonylContact C-O 3.6Å; Y506-V511 VanDerWaalsContact CA-O 3.29Å; Y506-V511 WeakPolarHBondContact CA-O 3.44Å; Y506-R512 HydrophobicContact CD1-CB 3.96Å; Y506-R512 HydrophobicContact CE1-CB 3.66Å; Y506-R512 HydrophobicContact CE1-CG 4.01Å; Y506-R512 PolarHBondContact OH-NE 3.3Å; Y506-R512 PolarHBondContact OH-NH2 2.81Å; Y506-R512 VanDerWaalsContact OH-NH2 3.16Å |
| 507 | T | 77.6 | Confident | 79.4 | Confident | 31 Ų | 31 | 53.7 Ų | 53.7 | 19% | 0.19 | 26% | 0.261 | C | S | . | . | trans | -72.8 | 174 | 172 | 74.7 | 0 | 0 | 0 | 0 | 111 | E509 G510 V511 Y513 I541 | T507-E509 WeakPolarHBondContact CB-OE2 3.42Å; T507-E509 PolarHBondContact O-N 2.86Å; T507-E509 VanDerWaalsContact O-N 3.17Å; T507-E509 PolarHBondContact OG1-N 3.25Å; T507-E509 PolarHBondContact OG1-OE2 3.02Å; T507-G510 PolarHBondContact O-N 2.9Å; T507-V511 HydrophobicContact CG2-CB 4.13Å; T507-V511 PolarHBondContact N-O 2.81Å; T507-V511 PolarHBondContact OG1-N 3.1Å; T507-Y513 HydrophobicContact CG2-CD1 3.87Å; T507-Y513 HydrophobicContact CG2-CE1 4.09Å; T507-I541 HydrophobicContact CG2-CD1 3.63Å | ||
| 508 | R | 72.6 | Confident | 79.9 | Confident | 253 Ų | 253 | 52.9 Ų | 52.9 | 96% | 0.955 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -24 | 176 | -65.6 | -179.4 | 178.2 | -172.8 | -0.6 | 112.6 | G510 | R508-G510 VanDerWaalsContact C-N 3.32Š|
| 509 | E | 76.3 | Confident | 80.2 | Confident | 149 Ų | 149 | 55.1 Ų | 55.1 | 70% | 0.696 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 2 | 177.2 | -50.1 | 69.2 | -147.5 | 0 | 0 | 112.3 | T507 V511 | T507-E509 WeakPolarHBondContact CB-OE2 3.42Å; T507-E509 PolarHBondContact O-N 2.86Å; T507-E509 VanDerWaalsContact O-N 3.17Å; T507-E509 PolarHBondContact OG1-N 3.25Å; T507-E509 PolarHBondContact OG1-OE2 3.02Å; E509-V511 HydrophobicContact CB-CG2 4.45Å |
| 510 | G | 71.7 | Confident | 80 | Confident | 35 Ų | 35 | 57.9 Ų | 57.9 | 36% | 0.361 | 27% | 0.269 | S | S | . | . | trans | 80.5 | 11.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y506 T507 R508 | Y506-G510 WeakPolarHBondContact CD1-O 3.46Å; T507-G510 PolarHBondContact O-N 2.9Å; R508-G510 VanDerWaalsContact C-N 3.32Å | ||
| 511 | V | 80.5 | Confident | 80.3 | Confident | 48 Ų | 48 | 55 Ų | 55 | 29% | 0.291 | 26% | 0.26 | S | S | . | . | trans | -78 | 123.8 | 179.6 | -178.6 | 0 | 0 | 0 | 0 | 109.8 | Y506 T507 E509 F524 V534 | Y506-V511 CarbonylContact C-O 3.6Å; Y506-V511 VanDerWaalsContact CA-O 3.29Å; Y506-V511 WeakPolarHBondContact CA-O 3.44Å; T507-V511 HydrophobicContact CG2-CB 4.13Å; T507-V511 PolarHBondContact N-O 2.81Å; T507-V511 PolarHBondContact OG1-N 3.1Å; E509-V511 HydrophobicContact CB-CG2 4.45Å; V511-F524 HydrophobicContact CG1-CD1 4.08Å; V511-F524 HydrophobicContact CG1-CE1 3.94Å; V511-V534 HydrophobicContact CG1-CG2 3.71Å | ||
| 512 | R | 81.4 | Confident | 80.8 | Confident | 81 Ų | 81 | 56.3 Ų | 56.3 | 31% | 0.306 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 135.9 | 176.1 | -172.4 | -177.6 | -71.8 | 176.8 | -2.6 | 110.7 | I504 R505 Y506 F514 S533 | I504-R512 HydrophobicContact CG2-CG 4.16Å; R505-R512 WeakPolarHBondContact O-CA 3.37Å; Y506-R512 HydrophobicContact CD1-CB 3.96Å; Y506-R512 HydrophobicContact CE1-CB 3.66Å; Y506-R512 HydrophobicContact CE1-CG 4.01Å; Y506-R512 PolarHBondContact OH-NE 3.3Å; Y506-R512 PolarHBondContact OH-NH2 2.81Å; Y506-R512 VanDerWaalsContact OH-NH2 3.16Å; R512-F514 HydrophobicContact CG-CE2 4.32Å; R512-F514 HydrophobicContact CG-CZ 4.23Å; R512-S533 WeakPolarHBondContact O-CB 3.35Å; R512-S533 PolarHBondContact O-OG 2.92Å |
| 513 | Y | 85.7 | Confident | 80.9 | Confident | 22 Ų | 22 | 55.9 Ų | 55.9 | 9% | 0.086 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 168.6 | 165.8 | 71.6 | -84.5 | 0 | 0 | 0 | 110.3 | R505 T507 V515 I541 | R505-Y513 HydrophobicContact CB-CD1 4Å; R505-Y513 HydrophobicContact CB-CD2 4.23Å; R505-Y513 HydrophobicContact CB-CE1 3.52Å; R505-Y513 HydrophobicContact CB-CE2 3.77Å; R505-Y513 HydrophobicContact CB-CG 4.35Å; R505-Y513 WeakPolarHBondContact CD-OH 3.36Å; R505-Y513 HydrophobicContact CG-CE2 4.41Å; R505-Y513 PolarHBondContact N-O 2.84Å; R505-Y513 PolarHBondContact O-N 2.79Å; R505-Y513 VanDerWaalsContact O-O 3.05Å; T507-Y513 HydrophobicContact CG2-CD1 3.87Å; T507-Y513 HydrophobicContact CG2-CE1 4.09Å; Y513-V515 HydrophobicContact CD2-CG2 4.1Å; Y513-V515 HydrophobicContact CE2-CG2 3.64Å; Y513-I541 HydrophobicContact CD1-CD1 3.5Å; Y513-I541 VanDerWaalsContact CD1-CD1 3.5Å; Y513-I541 HydrophobicContact CD2-CD1 3.82Å; Y513-I541 HydrophobicContact CD2-CG2 4.33Å; Y513-I541 HydrophobicContact CE1-CD1 3.86Å; Y513-I541 HydrophobicContact CE2-CD1 4.16Å; Y513-I541 HydrophobicContact CE2-CG2 3.83Å; Y513-I541 HydrophobicContact CG-CD1 3.46Å; Y513-I541 VanDerWaalsContact CG-CD1 3.46Å |
| 514 | F | 86 | Confident | 81.2 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.2 | -176.4 | -53.8 | -97.3 | 0 | 0 | 0 | 108.7 | L498 W502 E503 I504 R512 T522 T523 K525 D526 P527 | L498-F514 HydrophobicContact CD2-CD1 4.18Å; L498-F514 HydrophobicContact CD2-CE1 4.3Å; W502-F514 HydrophobicContact CE3-CB 3.95Å; W502-F514 HydrophobicContact CZ3-CB 3.96Å; E503-F514 CarbonylContact O-C 3.5Å; E503-F514 WeakPolarHBondContact O-CA 3.44Å; I504-F514 HydrophobicContact CD1-CD1 4.43Å; I504-F514 HydrophobicContact CD1-CE1 3.93Å; I504-F514 HydrophobicContact CG1-CD1 3.58Å; I504-F514 HydrophobicContact CG1-CE1 3.51Å; R512-F514 HydrophobicContact CG-CE2 4.32Å; R512-F514 HydrophobicContact CG-CZ 4.23Å; F514-T522 CarbonylContact O-C 3.56Å; F514-T522 VanDerWaalsContact O-CA 3.28Å; F514-T522 WeakPolarHBondContact O-CA 3.11Å; F514-T523 HydrophobicContact CB-CG2 4.22Å; F514-T523 PolarHBondContact N-O 2.92Å; F514-T523 PolarHBondContact O-N 2.77Å; F514-K525 WeakPolarHBondContact CD2-O 3.48Å; F514-D526 HydrophobicContact CE1-CB 4.03Å; F514-D526 VanDerWaalsContact CE2-CA 3.43Å; F514-D526 HydrophobicContact CE2-CB 3.83Å; F514-D526 VanDerWaalsContact CZ-CA 3.45Å; F514-D526 HydrophobicContact CZ-CB 3.46Å; F514-D526 VanDerWaalsContact CZ-CB 3.46Å; F514-D526 VanDerWaalsContact CZ-CG 3.48Å; F514-D526 VanDerWaalsContact CZ-OD2 3.3Å; F514-D526 WeakPolarHBondContact CZ-OD2 3.45Å; F514-P527 HydrophobicContact CD1-CG 4.42Å |
| 515 | V | 83.8 | Confident | 81.6 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 133.7 | 174.6 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | W502 E503 R505 Y513 T522 Y543 | W502-V515 VanDerWaalsContact CA-O 3.32Å; W502-V515 WeakPolarHBondContact CA-O 3.47Å; E503-V515 HydrophobicContact CB-CB 4.23Å; E503-V515 PolarHBondContact N-O 3.43Å; E503-V515 PolarHBondContact O-N 2.81Å; R505-V515 HydrophobicContact CG-CG2 4.32Å; Y513-V515 HydrophobicContact CD2-CG2 4.1Å; Y513-V515 HydrophobicContact CE2-CG2 3.64Å; V515-T522 HydrophobicContact CG2-CG2 4.2Å; V515-Y543 HydrophobicContact CG1-CD2 3.59Å; V515-Y543 HydrophobicContact CG1-CE2 3.48Å; V515-Y543 VanDerWaalsContact CG1-CE2 3.48Å |
| 516 | D | 85.4 | Confident | 81.9 | Confident | 12 Ų | 12 | 61 Ų | 61 | 6% | 0.064 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 105.9 | 173.3 | 177.1 | 11.5 | 0 | 0 | 0 | 108.8 | W502 N518 T519 R520 T521 | W502-D516 HydrophobicContact CD2-CB 3.97Å; W502-D516 HydrophobicContact CE3-CB 4.04Å; W502-D516 HydrophobicContact CH2-CB 3.82Å; W502-D516 HydrophobicContact CZ2-CB 3.69Å; W502-D516 HydrophobicContact CZ3-CB 3.99Å; D516-N518 VanDerWaalsContact C-N 3.25Å; D516-N518 PolarHBondContact O-N 2.75Å; D516-N518 WeakPolarHBondContact OD1-CA 3.23Å; D516-N518 WeakPolarHBondContact OD1-CB 3.2Å; D516-N518 PolarHBondContact OD1-N 3.16Å; D516-N518 PolarHBondContact OD1-ND2 3.01Å; D516-T519 VanDerWaalsContact CG-OG1 3.25Å; D516-T519 PolarHBondContact OD1-N 3.48Å; D516-T519 WeakPolarHBondContact OD2-CB 3.17Å; D516-T519 WeakPolarHBondContact OD2-CG2 3.31Å; D516-T519 PolarHBondContact OD2-N 2.82Å; D516-T519 PolarHBondContact OD2-OG1 3.1Å; D516-R520 CarbonylContact O-C 3.49Å; D516-R520 VanDerWaalsContact O-CA 3.24Å; D516-R520 WeakPolarHBondContact O-CA 3.36Å; D516-R520 PolarHBondContact O-N 3.32Å; D516-T521 PolarHBondContact N-O 2.8Å; D516-T521 PolarHBondContact O-N 3.03Å |
| 517 | H | 81.2 | Confident | 82.2 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -16 | 177.9 | -57.5 | -62.3 | 0 | 0 | 0 | 112.8 | G501 E503 Y543 W549 Y791 | G501-H517 WeakPolarHBondContact O-CB 3.46Å; G501-H517 PolarHBondContact O-CD2 3.48Å; G501-H517 VanDerWaalsContact O-CD2 3.23Å; G501-H517 PolarHBondContact O-N 2.75Å; E503-H517 WeakPolarHBondContact CB-NE2 3.36Å; E503-H517 IonicContact OE2-CE1 3.76Å; E503-H517 PolarHBondContact OE2-CE1 3.38Å; E503-H517 IonicContact OE2-NE2 3.61Å; E503-H517 PolarHBondContact OE2-NE2 2.82Å; H517-Y543 AromaticContact ND1-CE2 3.58Å; H517-Y543 AromaticContact ND1-CZ 3.72Å; H517-Y543 PolarHBondContact ND1-OH 3.02Å; H517-W549 AromaticContact CD2-CE3 3.52Å; H517-W549 AromaticContact CD2-CH2 3.83Å; H517-W549 AromaticContact CD2-CZ3 3.3Å; H517-W549 WeakPolarHBondContact CD2-CZ3 3.49Å; H517-W549 AromaticContact NE2-CD2 3.76Å; H517-W549 AromaticContact NE2-CE3 3.36Å; H517-W549 AromaticContact NE2-CZ3 3.7Å; H517-Y791 HydrophobicContact CB-CD1 4.03Å; H517-Y791 HydrophobicContact CB-CE1 4.37Å |
| 518 | N | 81.6 | Confident | 82.4 | Confident | 83 Ų | 83 | 61.2 Ų | 61.2 | 44% | 0.444 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -47.9 | 176.8 | -46.9 | -79.9 | 0 | 0 | 0 | 110.5 | E500 D516 Y791 | E500-N518 PolarHBondContact O-ND2 3.11Å; D516-N518 VanDerWaalsContact C-N 3.25Å; D516-N518 PolarHBondContact O-N 2.75Å; D516-N518 WeakPolarHBondContact OD1-CA 3.23Å; D516-N518 WeakPolarHBondContact OD1-CB 3.2Å; D516-N518 PolarHBondContact OD1-N 3.16Å; D516-N518 PolarHBondContact OD1-ND2 3.01Å; N518-Y791 WeakPolarHBondContact OD1-CE1 3.34Å; N518-Y791 PolarHBondContact OD1-OH 3.4Å |
| 519 | T | 82 | Confident | 82.9 | Confident | 85 Ų | 85 | 52 Ų | 52 | 52% | 0.521 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -8.6 | 175.9 | 62.8 | 0 | 0 | 0 | 0 | 114.4 | D516 T521 | D516-T519 VanDerWaalsContact CG-OG1 3.25Å; D516-T519 PolarHBondContact OD1-N 3.48Å; D516-T519 WeakPolarHBondContact OD2-CB 3.17Å; D516-T519 WeakPolarHBondContact OD2-CG2 3.31Å; D516-T519 PolarHBondContact OD2-N 2.82Å; D516-T519 PolarHBondContact OD2-OG1 3.1Å; T519-T521 WeakPolarHBondContact OG1-CG2 3.21Å; T519-T521 PolarHBondContact OG1-OG1 3.22Å |
| 520 | R | 79.9 | Confident | 83.1 | Confident | 115 Ų | 115 | 47.2 Ų | 47.2 | 43% | 0.434 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 43 | -171 | -50.5 | 179.9 | -174.1 | 179.6 | 2.2 | 112.5 | D516 Y543 E917 | D516-R520 CarbonylContact O-C 3.49Å; D516-R520 VanDerWaalsContact O-CA 3.24Å; D516-R520 WeakPolarHBondContact O-CA 3.36Å; D516-R520 PolarHBondContact O-N 3.32Å; R520-Y543 HydrophobicContact CB-CD1 4.22Å; R520-Y543 HydrophobicContact CB-CD2 4.34Å; R520-Y543 HydrophobicContact CB-CE1 4.16Å; R520-Y543 HydrophobicContact CB-CE2 4.29Å; R520-Y543 HydrophobicContact CB-CG 4.32Å; R520-Y543 WeakPolarHBondContact O-CB 3.34Å; R520-E917 IonicContact CZ-OE2 2.68Å; R520-E917 VanDerWaalsContact CZ-OE2 3.25Å; R520-E917 IonicContact NH1-OE2 3.48Å; R520-E917 PolarHBondContact NH1-OE2 2.95Å; R520-E917 IonicContact NH2-OE1 3.2Å; R520-E917 IonicContact NH2-OE2 2.77Å; R520-E917 PolarHBondContact NH2-OE2 3.4Å |
| 521 | T | 82.5 | Confident | 83.5 | Confident | 66 Ų | 66 | 52 Ų | 52 | 41% | 0.405 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 174.2 | -178.1 | 69.1 | 0 | 0 | 0 | 0 | 113.1 | D516 T519 | D516-T521 PolarHBondContact N-O 2.8Å; D516-T521 PolarHBondContact O-N 3.03Å; T519-T521 WeakPolarHBondContact OG1-CG2 3.21Å; T519-T521 PolarHBondContact OG1-OG1 3.22Å |
| 522 | T | 86.6 | Confident | 83.5 | Confident | 31 Ų | 31 | 52.8 Ų | 52.8 | 19% | 0.19 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 156.2 | 171.3 | 81.6 | 0 | 0 | 0 | 0 | 110.8 | F514 V515 I541 | F514-T522 CarbonylContact O-C 3.56Å; F514-T522 VanDerWaalsContact O-CA 3.28Å; F514-T522 WeakPolarHBondContact O-CA 3.11Å; V515-T522 HydrophobicContact CG2-CG2 4.2Å; T522-I541 HydrophobicContact CG2-CG2 4.39Å; T522-I541 PolarHBondContact OG1-O 2.8Å |
| 523 | T | 85.1 | Confident | 83.4 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 25% | 0.245 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 151.7 | 178.5 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | W502 F514 K525 | W502-T523 HydrophobicContact CH2-CG2 3.98Å; W502-T523 HydrophobicContact CZ3-CG2 3.63Å; F514-T523 HydrophobicContact CB-CG2 4.22Å; F514-T523 PolarHBondContact N-O 2.92Å; F514-T523 PolarHBondContact O-N 2.77Å; T523-K525 VanDerWaalsContact C-N 3.34Å; T523-K525 WeakPolarHBondContact CG2-O 3.22Å; T523-K525 WeakPolarHBondContact OG1-CB 3.41Å; T523-K525 PolarHBondContact OG1-N 3.08Å |
| 524 | F | 88.2 | Confident | 83 | Confident | 21 Ų | 21 | 52.3 Ų | 52.3 | 9% | 0.092 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -85.2 | -9.2 | 169.6 | -63.8 | -80.6 | 0 | 0 | 0 | 112.9 | V511 S532 S533 V534 P539 I541 | V511-F524 HydrophobicContact CG1-CD1 4.08Å; V511-F524 HydrophobicContact CG1-CE1 3.94Å; F524-S532 WeakPolarHBondContact O-CA 3.43Å; F524-S533 PolarHBondContact O-N 3Å; F524-S533 PolarHBondContact O-OG 3.48Å; F524-V534 HydrophobicContact CB-CG2 4.09Å; F524-V534 HydrophobicContact CD1-CG2 3.45Å; F524-V534 VanDerWaalsContact CD1-CG2 3.45Å; F524-V534 HydrophobicContact CD2-CG2 4.34Å; F524-V534 HydrophobicContact CE1-CG2 3.89Å; F524-V534 HydrophobicContact CG-CG2 3.69Å; F524-V534 HydrophobicContact CZ-CG2 4.49Å; F524-P539 VanDerWaalsContact CE2-O 3.26Å; F524-P539 WeakPolarHBondContact CE2-O 3.36Å; F524-P539 HydrophobicContact CZ-CG 4.44Å; F524-P539 WeakPolarHBondContact CZ-O 3.37Å; F524-I541 HydrophobicContact CE1-CD1 3.71Å; F524-I541 HydrophobicContact CE2-CD1 4.4Å; F524-I541 HydrophobicContact CE2-CG1 4.48Å; F524-I541 HydrophobicContact CZ-CD1 3.5Å; F524-I541 VanDerWaalsContact CZ-CD1 3.5Å; F524-I541 HydrophobicContact CZ-CG1 3.85Å |
| 525 | K | 87.2 | Confident | 82 | Confident | 130 Ų | 130 | 59.3 Ų | 59.3 | 57% | 0.565 | 33% | 0.329 | S | S | * | . | B | Isolated β-bridge | trans | -83.9 | 128.2 | 177.3 | -58.8 | 179.6 | -177.3 | 177.6 | 0 | 110.3 | F514 T523 K531 | F514-K525 WeakPolarHBondContact CD2-O 3.48Å; T523-K525 VanDerWaalsContact C-N 3.34Å; T523-K525 WeakPolarHBondContact CG2-O 3.22Å; T523-K525 WeakPolarHBondContact OG1-CB 3.41Å; T523-K525 PolarHBondContact OG1-N 3.08Å; K525-K531 WeakPolarHBondContact CA-O 3.27Å |
| 526 | D | 85.6 | Confident | 80.7 | Confident | 8 Ų | 8 | 67.4 Ų | 67.4 | 4% | 0.043 | 36% | 0.364 | C | S | . | . | trans | -64.8 | 126.9 | 173.7 | -166.1 | -50.8 | 0 | 0 | 0 | 110.8 | F514 R528 N529 G530 K531 | F514-D526 HydrophobicContact CE1-CB 4.03Å; F514-D526 VanDerWaalsContact CE2-CA 3.43Å; F514-D526 HydrophobicContact CE2-CB 3.83Å; F514-D526 VanDerWaalsContact CZ-CA 3.45Å; F514-D526 HydrophobicContact CZ-CB 3.46Å; F514-D526 VanDerWaalsContact CZ-CB 3.46Å; F514-D526 VanDerWaalsContact CZ-CG 3.48Å; F514-D526 VanDerWaalsContact CZ-OD2 3.3Å; F514-D526 WeakPolarHBondContact CZ-OD2 3.45Å; D526-R528 PolarHBondContact O-N 3.31Å; D526-R528 VanDerWaalsContact OD1-CB 3.29Å; D526-R528 WeakPolarHBondContact OD1-CB 3.48Å; D526-R528 IonicContact OD1-CZ 2.81Å; D526-R528 PolarHBondContact OD1-N 3.24Å; D526-R528 IonicContact OD1-NE 2.73Å; D526-R528 PolarHBondContact OD1-NE 3.18Å; D526-R528 IonicContact OD1-NH2 2.73Å; D526-R528 IonicContact OD2-CZ 2.99Å; D526-R528 IonicContact OD2-NE 3.94Å; D526-R528 IonicContact OD2-NH2 3.49Å; D526-R528 PolarHBondContact OD2-NH2 3.26Å; D526-N529 WeakPolarHBondContact CB-OD1 3.5Å; D526-G530 VanDerWaalsContact O-CA 3.27Å; D526-G530 WeakPolarHBondContact O-CA 3.28Å; D526-G530 PolarHBondContact O-N 3Å; D526-K531 PolarHBondContact N-O 3.5Å | ||
| 527 | P | 84.6 | Confident | 79.4 | Confident | 42 Ų | 42 | 71 Ų | 71 | 27% | 0.273 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -22.3 | -178.5 | 28.6 | -37 | 0 | 0 | 0 | 113.3 | L498 P499 W502 F514 | L498-P527 HydrophobicContact CD2-CG 4.01Å; P499-P527 HydrophobicContact CG-CB 4.2Å; P499-P527 HydrophobicContact CG-CG 4.38Å; W502-P527 HydrophobicContact CD2-CB 3.78Å; W502-P527 HydrophobicContact CD2-CG 3.73Å; W502-P527 HydrophobicContact CE3-CB 3.79Å; W502-P527 HydrophobicContact CE3-CG 3.56Å; W502-P527 HydrophobicContact CG-CB 4.45Å; W502-P527 HydrophobicContact CG-CG 4.16Å; W502-P527 HydrophobicContact CH2-CB 3.92Å; W502-P527 HydrophobicContact CZ2-CB 3.92Å; W502-P527 HydrophobicContact CZ3-CB 3.84Å; W502-P527 HydrophobicContact CZ3-CG 3.99Å; F514-P527 HydrophobicContact CD1-CG 4.42Å |
| 528 | R | 83 | Confident | 78.5 | Confident | 50 Ų | 50 | 71.5 Ų | 71.5 | 19% | 0.189 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -30.3 | -175.5 | -56.7 | 165.2 | -69 | 169.6 | 4.4 | 112.9 | E495 E496 P497 D526 | E495-R528 IonicContact OE1-NH2 2.64Å; E495-R528 IonicContact OE2-CZ 3.55Å; E495-R528 VanDerWaalsContact OE2-CZ 3.3Å; E495-R528 IonicContact OE2-NH1 3.65Å; E495-R528 PolarHBondContact OE2-NH1 3.24Å; E495-R528 VanDerWaalsContact OE2-NH1 3.12Å; E495-R528 IonicContact OE2-NH2 2.91Å; E495-R528 PolarHBondContact OE2-NH2 3.42Å; E496-R528 WeakPolarHBondContact O-CD 3.18Å; E496-R528 PolarHBondContact O-NH1 3.33Å; P497-R528 WeakPolarHBondContact O-CD 3.32Å; D526-R528 PolarHBondContact O-N 3.31Å; D526-R528 VanDerWaalsContact OD1-CB 3.29Å; D526-R528 WeakPolarHBondContact OD1-CB 3.48Å; D526-R528 IonicContact OD1-CZ 2.81Å; D526-R528 PolarHBondContact OD1-N 3.24Å; D526-R528 IonicContact OD1-NE 2.73Å; D526-R528 PolarHBondContact OD1-NE 3.18Å; D526-R528 IonicContact OD1-NH2 2.73Å; D526-R528 IonicContact OD2-CZ 2.99Å; D526-R528 IonicContact OD2-NE 3.94Å; D526-R528 IonicContact OD2-NH2 3.49Å; D526-R528 PolarHBondContact OD2-NH2 3.26Å |
| 529 | N | 82.4 | Confident | 77.7 | Confident | 60 Ų | 60 | 72.6 Ų | 72.6 | 32% | 0.321 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142 | 1.9 | -169.5 | 65.6 | 51.2 | 0 | 0 | 0 | 114.9 | D526 K531 | D526-N529 WeakPolarHBondContact CB-OD1 3.5Å; N529-K531 PolarHBondContact O-N 3.32Å; N529-K531 VanDerWaalsContact O-N 3.09Å; N529-K531 WeakPolarHBondContact OD1-CB 3.28Å; N529-K531 VanDerWaalsContact OD1-CD 3.3Å; N529-K531 WeakPolarHBondContact OD1-CD 3.41Å; N529-K531 WeakPolarHBondContact OD1-CG 3.49Å; N529-K531 PolarHBondContact OD1-N 3.33Å; N529-K531 VanDerWaalsContact OD1-N 3.07Å |
| 530 | G | 80.1 | Confident | 76.8 | Confident | 48 Ų | 48 | 77.7 Ų | 77.7 | 50% | 0.495 | 44% | 0.441 | S | S | . | . | trans | 70.9 | -3.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | D526 S532 | D526-G530 VanDerWaalsContact O-CA 3.27Å; D526-G530 WeakPolarHBondContact O-CA 3.28Å; D526-G530 PolarHBondContact O-N 3Å; G530-S532 PolarHBondContact O-N 2.97Å | ||
| 531 | K | 81.3 | Confident | 76.5 | Confident | 137 Ų | 137 | 73.8 Ų | 73.8 | 60% | 0.596 | 43% | 0.428 | S | S | * | . | trans | -65.8 | 128.9 | -177.6 | -64.8 | 168.7 | -167.9 | 164.5 | 0 | 110.2 | K525 D526 N529 | K525-K531 WeakPolarHBondContact CA-O 3.27Å; D526-K531 PolarHBondContact N-O 3.5Å; N529-K531 PolarHBondContact O-N 3.32Å; N529-K531 VanDerWaalsContact O-N 3.09Å; N529-K531 WeakPolarHBondContact OD1-CB 3.28Å; N529-K531 VanDerWaalsContact OD1-CD 3.3Å; N529-K531 WeakPolarHBondContact OD1-CD 3.41Å; N529-K531 WeakPolarHBondContact OD1-CG 3.49Å; N529-K531 PolarHBondContact OD1-N 3.33Å; N529-K531 VanDerWaalsContact OD1-N 3.07Å | ||
| 532 | S | 80.8 | Confident | 75.8 | Confident | 63 Ų | 63 | 74.6 Ų | 74.6 | 44% | 0.441 | 44% | 0.442 | S | S | . | . | B | Isolated β-bridge | trans | -83 | 130.2 | 174.3 | -174.9 | 0 | 0 | 0 | 0 | 110.9 | F524 G530 V534 | F524-S532 WeakPolarHBondContact O-CA 3.43Å; G530-S532 PolarHBondContact O-N 2.97Å; S532-V534 WeakPolarHBondContact CB-O 3.39Å; S532-V534 PolarHBondContact O-N 3.2Å; S532-V534 PolarHBondContact OG-N 2.86Å; S532-V534 PolarHBondContact OG-O 3.12Å |
| 533 | S | 77.4 | Confident | 74.9 | Confident | 50 Ų | 50 | 75.6 Ų | 75.6 | 35% | 0.35 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -71.1 | -5.4 | 172.1 | -54.1 | 0 | 0 | 0 | 0 | 113.2 | R512 F524 | R512-S533 WeakPolarHBondContact O-CB 3.35Å; R512-S533 PolarHBondContact O-OG 2.92Å; F524-S533 PolarHBondContact O-N 3Å; F524-S533 PolarHBondContact O-OG 3.48Å |
| 534 | V | 78.6 | Confident | 73.9 | Confident | 43 Ų | 43 | 79.3 Ų | 79.3 | 26% | 0.261 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -134.7 | 135.3 | 177.6 | -161.2 | 0 | 0 | 0 | 0 | 110.4 | V511 F524 S532 K536 | V511-V534 HydrophobicContact CG1-CG2 3.71Å; F524-V534 HydrophobicContact CB-CG2 4.09Å; F524-V534 HydrophobicContact CD1-CG2 3.45Å; F524-V534 VanDerWaalsContact CD1-CG2 3.45Å; F524-V534 HydrophobicContact CD2-CG2 4.34Å; F524-V534 HydrophobicContact CE1-CG2 3.89Å; F524-V534 HydrophobicContact CG-CG2 3.69Å; F524-V534 HydrophobicContact CZ-CG2 4.49Å; S532-V534 WeakPolarHBondContact CB-O 3.39Å; S532-V534 PolarHBondContact O-N 3.2Å; S532-V534 PolarHBondContact OG-N 2.86Å; S532-V534 PolarHBondContact OG-O 3.12Å; V534-K536 WeakPolarHBondContact CG1-O 3.46Å |
| 535 | T | 64.4 | Low | 72.8 | Confident | 148 Ų | 148 | 79.6 Ų | 79.6 | 91% | 0.908 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -81.5 | -12.2 | -173.8 | 52 | 0 | 0 | 0 | 0 | 114.9 | ||
| 536 | K | 57.3 | Low | 72.1 | Confident | 173 Ų | 173 | 73.8 Ų | 73.8 | 75% | 0.752 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -130.6 | 151.1 | 166.1 | -64.2 | -177.4 | -179.4 | 179.7 | 0 | 106.8 | V534 G538 | V534-K536 WeakPolarHBondContact CG1-O 3.46Å; K536-G538 PolarHBondContact O-N 3.35Å |
| 537 | G | 58.5 | Low | 71.8 | Confident | 86 Ų | 86 | 73.6 Ų | 73.6 | 89% | 0.887 | 43% | 0.432 | S | S | * | . | trans | -49.1 | 112.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 538 | G | 60.4 | Low | 71.5 | Confident | 22 Ų | 22 | 75 Ų | 75 | 23% | 0.227 | 43% | 0.432 | C | S | . | . | trans | -68.8 | 165.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K536 Q540 | K536-G538 PolarHBondContact O-N 3.35Å; G538-Q540 PolarHBondContact O-N 3.43Å | ||
| 539 | P | 65.4 | Low | 71.2 | Confident | 106 Ų | 106 | 73.4 Ų | 73.4 | 69% | 0.688 | 43% | 0.426 | S | S | * | . | trans | -57.4 | 131.5 | 175.5 | 26.7 | -34.4 | 0 | 0 | 0 | 109.7 | F524 I541 | F524-P539 VanDerWaalsContact CE2-O 3.26Å; F524-P539 WeakPolarHBondContact CE2-O 3.36Å; F524-P539 HydrophobicContact CZ-CG 4.44Å; F524-P539 WeakPolarHBondContact CZ-O 3.37Å; P539-I541 PolarHBondContact O-N 2.87Å | ||
| 540 | Q | 63.4 | Low | 71.2 | Confident | 193 Ų | 193 | 71.1 Ų | 71.1 | 90% | 0.902 | 41% | 0.413 | S | S | * | . | trans | -65.6 | 107.9 | -176.1 | -174.4 | 172.3 | -4.4 | 0 | 0 | 110.1 | G538 | G538-Q540 PolarHBondContact O-N 3.43Š| ||
| 541 | I | 74.5 | Confident | 71.4 | Confident | 32 Ų | 32 | 68.8 Ų | 68.8 | 16% | 0.164 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 124.9 | 179.7 | -59.5 | 174.2 | 0 | 0 | 0 | 108.2 | T507 Y513 T522 F524 P539 | T507-I541 HydrophobicContact CG2-CD1 3.63Å; Y513-I541 HydrophobicContact CD1-CD1 3.5Å; Y513-I541 VanDerWaalsContact CD1-CD1 3.5Å; Y513-I541 HydrophobicContact CD2-CD1 3.82Å; Y513-I541 HydrophobicContact CD2-CG2 4.33Å; Y513-I541 HydrophobicContact CE1-CD1 3.86Å; Y513-I541 HydrophobicContact CE2-CD1 4.16Å; Y513-I541 HydrophobicContact CE2-CG2 3.83Å; Y513-I541 HydrophobicContact CG-CD1 3.46Å; Y513-I541 VanDerWaalsContact CG-CD1 3.46Å; T522-I541 HydrophobicContact CG2-CG2 4.39Å; T522-I541 PolarHBondContact OG1-O 2.8Å; F524-I541 HydrophobicContact CE1-CD1 3.71Å; F524-I541 HydrophobicContact CE2-CD1 4.4Å; F524-I541 HydrophobicContact CE2-CG1 4.48Å; F524-I541 HydrophobicContact CZ-CD1 3.5Å; F524-I541 VanDerWaalsContact CZ-CD1 3.5Å; F524-I541 HydrophobicContact CZ-CG1 3.85Å; P539-I541 PolarHBondContact O-N 2.87Å |
| 542 | A | 67.6 | Low | 71.1 | Confident | 84 Ų | 84 | 62.4 Ų | 62.4 | 69% | 0.694 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 140.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 543 | Y | 66.6 | Low | 71 | Confident | 52 Ų | 52 | 61.4 Ų | 61.4 | 20% | 0.204 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 136.2 | 169.1 | 175.5 | -91.3 | 0 | 0 | 0 | 109.6 | V515 H517 R520 R545 | V515-Y543 HydrophobicContact CG1-CD2 3.59Å; V515-Y543 HydrophobicContact CG1-CE2 3.48Å; V515-Y543 VanDerWaalsContact CG1-CE2 3.48Å; H517-Y543 AromaticContact ND1-CE2 3.58Å; H517-Y543 AromaticContact ND1-CZ 3.72Å; H517-Y543 PolarHBondContact ND1-OH 3.02Å; R520-Y543 HydrophobicContact CB-CD1 4.22Å; R520-Y543 HydrophobicContact CB-CD2 4.34Å; R520-Y543 HydrophobicContact CB-CE1 4.16Å; R520-Y543 HydrophobicContact CB-CE2 4.29Å; R520-Y543 HydrophobicContact CB-CG 4.32Å; R520-Y543 WeakPolarHBondContact O-CB 3.34Å; Y543-R545 HydrophobicContact CE1-CG 4.04Å |
| 544 | E | 65.4 | Low | 71.4 | Confident | 117 Ų | 117 | 59.1 Ų | 59.1 | 55% | 0.547 | 33% | 0.334 | S | S | . | . | trans | -120.6 | 132.2 | 177 | -172.9 | 179.4 | -113.5 | 0 | 0 | 108.2 | R505 S546 | R505-E544 IonicContact CZ-OE2 3.12Å; R505-E544 IonicContact NH1-OE2 2.92Å; R505-E544 PolarHBondContact NH1-OE2 3.45Å; R505-E544 IonicContact NH2-OE2 3.52Å; R505-E544 PolarHBondContact NH2-OE2 2.9Å; E544-S546 PolarHBondContact O-N 3.41Å | ||
| 545 | R | 65.1 | Low | 71.6 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 10% | 0.102 | 33% | 0.328 | C | S | . | . | trans | -68.2 | 94.8 | 175.7 | -77.3 | -173.9 | -177.5 | 61.6 | 7.6 | 109.5 | Y543 F547 D793 E914 E915 | Y543-R545 HydrophobicContact CE1-CG 4.04Å; R545-F547 PolarHBondContact O-N 2.82Å; R545-D793 IonicContact NE-OD2 2.85Å; R545-E914 WeakPolarHBondContact CB-OE2 3.36Å; R545-E914 WeakPolarHBondContact CD-OE2 3.12Å; R545-E914 VanDerWaalsContact CG-OE2 3.31Å; R545-E914 WeakPolarHBondContact CG-OE2 3.34Å; R545-E914 IonicContact CZ-OE2 3.86Å; R545-E914 IonicContact NE-OE2 3.22Å; R545-E914 IonicContact NH1-OE2 3.08Å; R545-E914 PolarHBondContact NH1-OE2 3.26Å; R545-E915 IonicContact CZ-OE1 2.75Å; R545-E915 VanDerWaalsContact CZ-OE1 3.27Å; R545-E915 IonicContact CZ-OE2 3.5Å; R545-E915 IonicContact NH1-OE1 3.41Å; R545-E915 PolarHBondContact NH1-OE1 3.04Å; R545-E915 IonicContact NH1-OE2 2.72Å; R545-E915 IonicContact NH2-OE1 3.91Å; R545-E915 PolarHBondContact NH2-OE1 3.44Å; R545-E915 IonicContact NH2-OE2 3.37Å; R545-E915 PolarHBondContact NH2-OE2 3.25Å | ||
| 546 | S | 71.7 | Confident | 72.3 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | trans | -74.6 | 70.2 | 175.2 | -162.2 | 0 | 0 | 0 | 0 | 112.2 | E503 R505 E544 R548 W549 K550 | E503-S546 PolarHBondContact OE1-OG 2.85Å; R505-S546 PolarHBondContact NH2-OG 3.32Å; E544-S546 PolarHBondContact O-N 3.41Å; S546-R548 PolarHBondContact O-N 2.99Å; S546-W549 PolarHBondContact O-N 2.81Å; S546-W549 WeakPolarHBondContact OG-CB 3.48Å; S546-W549 PolarHBondContact OG-N 2.71Å; S546-K550 WeakPolarHBondContact O-CG 3.43Å; S546-K550 PolarHBondContact O-N 2.94Å | ||
| 547 | F | 79.8 | Confident | 73.4 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -52.8 | -39.5 | 174 | 172.8 | -124.1 | 0 | 0 | 0 | 111.2 | L442 Y443 R545 K550 L551 F792 E796 V799 M800 E841 | L442-F547 HydrophobicContact CD2-CE1 4.32Å; L442-F547 HydrophobicContact CD2-CZ 4.34Å; Y443-F547 HydrophobicContact CE2-CD1 4.39Å; R545-F547 PolarHBondContact O-N 2.82Å; F547-K550 PolarHBondContact O-N 3.5Å; F547-L551 HydrophobicContact CZ-CD2 4.48Å; F547-L551 VanDerWaalsContact O-CB 3.23Å; F547-L551 WeakPolarHBondContact O-CB 3.17Å; F547-L551 PolarHBondContact O-N 3.07Å; F547-F792 HydrophobicContact CD2-CD1 4.36Å; F547-F792 HydrophobicContact CD2-CE1 4.18Å; F547-F792 HydrophobicContact CE2-CD1 4.41Å; F547-F792 HydrophobicContact CE2-CE1 4.15Å; F547-E796 HydrophobicContact CB-CG 4.45Å; F547-E796 HydrophobicContact CD2-CB 3.76Å; F547-E796 HydrophobicContact CD2-CG 3.54Å; F547-E796 HydrophobicContact CE2-CB 3.8Å; F547-E796 HydrophobicContact CE2-CG 4.09Å; F547-E796 HydrophobicContact CG-CG 4.19Å; F547-V799 HydrophobicContact CE1-CG1 3.88Å; F547-V799 HydrophobicContact CZ-CB 4.32Å; F547-V799 HydrophobicContact CZ-CG1 3.81Å; F547-M800 HydrophobicContact CE2-CG 3.85Å; F547-M800 HydrophobicContact CE2-SD 4.45Å; F547-M800 HydrophobicContact CZ-CG 4.1Å; F547-E841 WeakPolarHBondContact CB-OE1 3.34Å |
| 548 | R | 76.9 | Confident | 74.5 | Confident | 72 Ų | 72 | 47.2 Ų | 47.2 | 27% | 0.272 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 174.8 | -172.2 | 176.8 | 171.8 | -148.4 | -15.9 | 113.4 | Y443 M447 L448 E451 S546 A552 | Y443-R548 HydrophobicContact CD1-CG 4.13Å; Y443-R548 HydrophobicContact CD2-CB 4.14Å; Y443-R548 HydrophobicContact CD2-CG 3.86Å; Y443-R548 HydrophobicContact CE1-CG 4.21Å; Y443-R548 HydrophobicContact CE2-CB 3.79Å; Y443-R548 HydrophobicContact CE2-CG 3.93Å; Y443-R548 HydrophobicContact CG-CG 3.96Å; M447-R548 PolarHBondContact O-NH2 3.13Å; L448-R548 HydrophobicContact CD2-CG 3.97Å; L448-R548 WeakPolarHBondContact CD2-O 3.42Å; E451-R548 HydrophobicContact CG-CG 4.36Å; E451-R548 IonicContact OE1-CZ 3.72Å; E451-R548 IonicContact OE1-NE 3.37Å; E451-R548 IonicContact OE1-NH1 3.7Å; E451-R548 PolarHBondContact OE1-NH1 2.78Å; E451-R548 VanDerWaalsContact OE1-NH1 3.08Å; E451-R548 IonicContact OE1-NH2 3.87Å; E451-R548 PolarHBondContact OE1-NH2 3.38Å; S546-R548 PolarHBondContact O-N 2.99Å; R548-A552 WeakPolarHBondContact O-CB 3.33Å; R548-A552 PolarHBondContact O-N 3.25Å |
| 549 | W | 76.9 | Confident | 75.5 | Confident | 17 Ų | 17 | 51.8 Ų | 51.8 | 6% | 0.064 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.3 | -47.3 | 175.1 | 177.8 | 91.4 | 0 | 0 | 0 | 111.2 | E503 H517 S546 L551 A552 H553 | E503-W549 HydrophobicContact CB-CD2 4.22Å; E503-W549 HydrophobicContact CB-CG 4.29Å; E503-W549 HydrophobicContact CG-CD2 4.41Å; E503-W549 HydrophobicContact CG-CG 3.96Å; H517-W549 AromaticContact CD2-CE3 3.52Å; H517-W549 AromaticContact CD2-CH2 3.83Å; H517-W549 AromaticContact CD2-CZ3 3.3Å; H517-W549 WeakPolarHBondContact CD2-CZ3 3.49Å; H517-W549 AromaticContact NE2-CD2 3.76Å; H517-W549 AromaticContact NE2-CE3 3.36Å; H517-W549 AromaticContact NE2-CZ3 3.7Å; S546-W549 PolarHBondContact O-N 2.81Å; S546-W549 WeakPolarHBondContact OG-CB 3.48Å; S546-W549 PolarHBondContact OG-N 2.71Å; W549-L551 VanDerWaalsContact C-N 3.27Å; W549-L551 PolarHBondContact O-N 3.14Å; W549-A552 WeakPolarHBondContact O-CA 3.32Å; W549-A552 WeakPolarHBondContact O-CB 3.5Å; W549-A552 PolarHBondContact O-N 3.46Å; W549-H553 HydrophobicContact CH2-CB 4.36Å; W549-H553 HydrophobicContact CZ2-CB 4.45Å; W549-H553 HydrophobicContact CZ3-CB 4.42Å; W549-H553 WeakPolarHBondContact O-CB 3.3Å; W549-H553 PolarHBondContact O-N 2.81Å |
| 550 | K | 83.7 | Confident | 76.1 | Confident | 11 Ų | 11 | 50 Ų | 50 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.3 | -45.6 | 177.4 | -62.9 | 173.2 | -172.1 | -176.6 | 0 | 111 | S546 F547 H553 F554 Y791 F792 E796 | S546-K550 WeakPolarHBondContact O-CG 3.43Å; S546-K550 PolarHBondContact O-N 2.94Å; F547-K550 PolarHBondContact O-N 3.5Å; K550-H553 PolarHBondContact O-N 3.21Å; K550-F554 WeakPolarHBondContact O-CB 3.34Å; K550-F554 PolarHBondContact O-N 3.14Å; K550-Y791 WeakPolarHBondContact CD-O 3.4Å; K550-Y791 WeakPolarHBondContact CE-O 3.1Å; K550-Y791 PolarHBondContact NZ-O 3.49Å; K550-F792 VanDerWaalsContact C-CZ 3.46Å; K550-F792 HydrophobicContact CB-CD1 4.02Å; K550-F792 HydrophobicContact CB-CE1 3.39Å; K550-F792 HydrophobicContact CB-CE2 4.35Å; K550-F792 HydrophobicContact CB-CZ 3.61Å; K550-F792 HydrophobicContact CD-CD1 3.99Å; K550-F792 HydrophobicContact CD-CE1 4.2Å; K550-F792 HydrophobicContact CG-CE1 4.46Å; K550-F792 WeakPolarHBondContact O-CZ 3.07Å; K550-E796 IonicContact NZ-OE1 3.98Å; K550-E796 PolarHBondContact NZ-OE1 2.9Å; K550-E796 IonicContact NZ-OE2 2.69Å; K550-E796 PolarHBondContact NZ-OE2 2.84Å |
| 551 | L | 83.8 | Confident | 77 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -40 | 176.5 | -178.9 | 64.5 | 0 | 0 | 0 | 112 | L442 Y443 L448 F547 W549 R555 M800 | L442-L551 HydrophobicContact CB-CD2 4.24Å; L442-L551 HydrophobicContact CD1-CD1 4.35Å; L442-L551 HydrophobicContact CD1-CD2 4.02Å; L442-L551 HydrophobicContact CD2-CD2 4.43Å; L442-L551 HydrophobicContact CG-CD2 4.48Å; Y443-L551 HydrophobicContact CD2-CD2 4.13Å; L448-L551 HydrophobicContact CD1-CD2 4.02Å; L448-L551 HydrophobicContact CD1-CG 4.05Å; L448-L551 HydrophobicContact CD2-CB 4.42Å; L448-L551 HydrophobicContact CD2-CD2 4.26Å; L448-L551 HydrophobicContact CD2-CG 4.28Å; F547-L551 HydrophobicContact CZ-CD2 4.48Å; F547-L551 VanDerWaalsContact O-CB 3.23Å; F547-L551 WeakPolarHBondContact O-CB 3.17Å; F547-L551 PolarHBondContact O-N 3.07Å; W549-L551 VanDerWaalsContact C-N 3.27Å; W549-L551 PolarHBondContact O-N 3.14Å; L551-R555 HydrophobicContact CD1-CG 4.12Å; L551-R555 HydrophobicContact CG-CG 4.3Å; L551-R555 VanDerWaalsContact O-CB 3.26Å; L551-R555 WeakPolarHBondContact O-CB 3.1Å; L551-R555 WeakPolarHBondContact O-CG 3.49Å; L551-R555 PolarHBondContact O-N 3.44Å; L551-M800 HydrophobicContact CD1-CE 4.18Å; L551-M800 HydrophobicContact CD1-CG 4.28Å |
| 552 | A | 75.1 | Confident | 77.3 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.6 | -43.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L448 E451 N452 R548 W549 R555 Y556 | L448-A552 HydrophobicContact CB-CB 3.97Å; L448-A552 HydrophobicContact CD2-CB 3.79Å; L448-A552 HydrophobicContact CG-CB 4.48Å; L448-A552 WeakPolarHBondContact O-CB 3.36Å; E451-A552 HydrophobicContact CB-CB 4Å; N452-A552 HydrophobicContact CB-CB 3.9Å; R548-A552 WeakPolarHBondContact O-CB 3.33Å; R548-A552 PolarHBondContact O-N 3.25Å; W549-A552 WeakPolarHBondContact O-CA 3.32Å; W549-A552 WeakPolarHBondContact O-CB 3.5Å; W549-A552 PolarHBondContact O-N 3.46Å; A552-R555 PolarHBondContact O-N 2.79Å; A552-Y556 PolarHBondContact O-N 2.7Å |
| 553 | H | 79.5 | Confident | 77.9 | Confident | 42 Ų | 42 | 43.3 Ų | 43.3 | 19% | 0.194 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.7 | -51 | 174.8 | -170.3 | 82.2 | 0 | 0 | 0 | 111.4 | W549 K550 R555 Y556 L557 | W549-H553 HydrophobicContact CH2-CB 4.36Å; W549-H553 HydrophobicContact CZ2-CB 4.45Å; W549-H553 HydrophobicContact CZ3-CB 4.42Å; W549-H553 WeakPolarHBondContact O-CB 3.3Å; W549-H553 PolarHBondContact O-N 2.81Å; K550-H553 PolarHBondContact O-N 3.21Å; H553-R555 VanDerWaalsContact C-N 3.32Å; H553-R555 PolarHBondContact O-N 2.81Å; H553-Y556 WeakPolarHBondContact O-CB 3.32Å; H553-Y556 PolarHBondContact O-N 3.13Å; H553-Y556 VanDerWaalsContact O-N 3.14Å; H553-L557 PolarHBondContact O-N 2.93Å |
| 554 | F | 84.7 | Confident | 78.6 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.7 | -40.3 | 176.2 | -179.8 | -96.8 | 0 | 0 | 0 | 113 | K550 Y556 L557 C558 L668 V784 W788 L789 F792 M800 | K550-F554 WeakPolarHBondContact O-CB 3.34Å; K550-F554 PolarHBondContact O-N 3.14Å; F554-Y556 VanDerWaalsContact C-N 3.33Å; F554-Y556 PolarHBondContact O-N 2.9Å; F554-L557 PolarHBondContact O-N 2.84Å; F554-C558 VanDerWaalsContact CE1-SG 3.52Å; F554-C558 PolarHBondContact O-N 2.82Å; F554-C558 PolarHBondContact O-SG 2.72Å; F554-L668 HydrophobicContact CE1-CB 4.25Å; F554-L668 HydrophobicContact CZ-CB 4.05Å; F554-V784 HydrophobicContact CE2-CG1 3.93Å; F554-V784 HydrophobicContact CZ-CG1 4.06Å; F554-W788 HydrophobicContact CD2-CB 4.21Å; F554-W788 HydrophobicContact CE2-CB 4.17Å; F554-W788 HydrophobicContact CE2-CE3 4.42Å; F554-L789 HydrophobicContact CD2-CD2 3.94Å; F554-L789 HydrophobicContact CE2-CD2 3.57Å; F554-L789 HydrophobicContact CZ-CD2 4.2Å; F554-F792 HydrophobicContact CB-CE2 3.93Å; F554-F792 HydrophobicContact CB-CZ 3.82Å; F554-F792 HydrophobicContact CD2-CE2 4.27Å; F554-F792 HydrophobicContact CG-CE2 4.24Å; F554-F792 HydrophobicContact CG-CZ 4.36Å; F554-M800 HydrophobicContact CB-CE 4.34Å; F554-M800 HydrophobicContact CD1-CE 3.46Å; F554-M800 VanDerWaalsContact CD1-CE 3.46Å; F554-M800 HydrophobicContact CD2-CE 4.31Å; F554-M800 HydrophobicContact CE1-CE 3.77Å; F554-M800 HydrophobicContact CG-CE 3.76Å; F554-M800 HydrophobicContact CZ-CE 4.33Å |
| 555 | R | 83.3 | Confident | 79.8 | Confident | 34 Ų | 34 | 44.2 Ų | 44.2 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.9 | -37.1 | 177.1 | -72.7 | -86.4 | 162.6 | -112.7 | -10.3 | 111.8 | L448 L551 A552 H553 C558 Q559 L668 F669 | L448-R555 HydrophobicContact CD1-CG 4.12Å; L551-R555 HydrophobicContact CD1-CG 4.12Å; L551-R555 HydrophobicContact CG-CG 4.3Å; L551-R555 VanDerWaalsContact O-CB 3.26Å; L551-R555 WeakPolarHBondContact O-CB 3.1Å; L551-R555 WeakPolarHBondContact O-CG 3.49Å; L551-R555 PolarHBondContact O-N 3.44Å; A552-R555 PolarHBondContact O-N 2.79Å; H553-R555 VanDerWaalsContact C-N 3.32Å; H553-R555 PolarHBondContact O-N 2.81Å; R555-C558 PolarHBondContact O-N 3.06Å; R555-Q559 WeakPolarHBondContact O-CB 3.34Å; R555-Q559 WeakPolarHBondContact O-CG 3.44Å; R555-Q559 PolarHBondContact O-N 2.92Å; R555-L668 PolarHBondContact NH1-O 3.46Å; R555-L668 PolarHBondContact NH2-O 2.7Å; R555-F669 PolarHBondContact NH1-O 2.77Å |
| 556 | Y | 78.9 | Confident | 81 | Confident | 128 Ų | 128 | 46.4 Ų | 46.4 | 50% | 0.502 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.4 | -39.5 | 173 | 174.7 | -94.6 | 0 | 0 | 0 | 112.8 | N452 A552 H553 F554 C558 Q559 S560 | N452-Y556 WeakPolarHBondContact ND2-CB 3.43Å; A552-Y556 PolarHBondContact O-N 2.7Å; H553-Y556 WeakPolarHBondContact O-CB 3.32Å; H553-Y556 PolarHBondContact O-N 3.13Å; H553-Y556 VanDerWaalsContact O-N 3.14Å; F554-Y556 VanDerWaalsContact C-N 3.33Å; F554-Y556 PolarHBondContact O-N 2.9Å; Y556-C558 VanDerWaalsContact C-N 3.3Å; Y556-C558 PolarHBondContact O-N 3.16Å; Y556-Q559 PolarHBondContact O-N 3.46Å; Y556-S560 WeakPolarHBondContact O-CB 3.38Å; Y556-S560 PolarHBondContact O-N 3.41Å; Y556-S560 PolarHBondContact O-OG 3.22Å |
| 557 | L | 79.5 | Confident | 82.1 | Confident | 34 Ų | 34 | 46.8 Ų | 46.8 | 18% | 0.178 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.2 | -43.9 | 172.1 | -68.6 | 175.7 | 0 | 0 | 0 | 110.9 | H553 F554 S560 N561 W788 | H553-L557 PolarHBondContact O-N 2.93Å; F554-L557 PolarHBondContact O-N 2.84Å; L557-S560 PolarHBondContact O-OG 2.99Å; L557-S560 VanDerWaalsContact O-OG 3.13Å; L557-N561 WeakPolarHBondContact O-CB 3.25Å; L557-N561 PolarHBondContact O-N 3.17Å; L557-N561 PolarHBondContact O-ND2 2.71Å; L557-W788 HydrophobicContact CB-CD2 4.16Å; L557-W788 HydrophobicContact CB-CE3 4.06Å; L557-W788 HydrophobicContact CB-CZ3 4.34Å; L557-W788 HydrophobicContact CD1-CB 4.05Å; L557-W788 HydrophobicContact CD1-CD2 4.19Å; L557-W788 HydrophobicContact CD1-CG 3.86Å |
| 558 | C | 83.1 | Confident | 82.7 | Confident | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.027 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 174.2 | -60.8 | 0 | 0 | 0 | 0 | 112.4 | F554 R555 Y556 N561 A562 F669 | F554-C558 VanDerWaalsContact CE1-SG 3.52Å; F554-C558 PolarHBondContact O-N 2.82Å; F554-C558 PolarHBondContact O-SG 2.72Å; R555-C558 PolarHBondContact O-N 3.06Å; Y556-C558 VanDerWaalsContact C-N 3.3Å; Y556-C558 PolarHBondContact O-N 3.16Å; C558-N561 CarbonylContact O-C 3.59Å; C558-N561 PolarHBondContact O-N 2.98Å; C558-A562 PolarHBondContact O-N 3.44Å; C558-F669 HydrophobicContact CB-CD2 3.96Å; C558-F669 HydrophobicContact CB-CE2 4.01Å; C558-F669 HydrophobicContact CB-CG 4.32Å; C558-F669 HydrophobicContact CB-CZ 4.38Å; C558-F669 WeakPolarHBondContact O-CZ 3.37Å |
| 559 | Q | 80.6 | Confident | 83.5 | Confident | 119 Ų | 119 | 48.6 Ų | 48.6 | 56% | 0.556 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65.7 | -42.4 | -179.1 | -74.7 | 167.1 | 9.7 | 0 | 0 | 113.1 | R555 Y556 N561 A562 | R555-Q559 WeakPolarHBondContact O-CB 3.34Å; R555-Q559 WeakPolarHBondContact O-CG 3.44Å; R555-Q559 PolarHBondContact O-N 2.92Å; Y556-Q559 PolarHBondContact O-N 3.46Å; Q559-N561 VanDerWaalsContact C-N 3.27Å; Q559-N561 PolarHBondContact O-N 2.87Å; Q559-A562 WeakPolarHBondContact O-CB 3.27Å; Q559-A562 PolarHBondContact O-N 2.83Å |
| 560 | S | 77.5 | Confident | 84.4 | Confident | 68 Ų | 68 | 50.4 Ų | 50.4 | 48% | 0.476 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.7 | -23 | 177.3 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | Y556 L557 | Y556-S560 WeakPolarHBondContact O-CB 3.38Å; Y556-S560 PolarHBondContact O-N 3.41Å; Y556-S560 PolarHBondContact O-OG 3.22Å; L557-S560 PolarHBondContact O-OG 2.99Å; L557-S560 VanDerWaalsContact O-OG 3.13Å |
| 561 | N | 81.9 | Confident | 84.9 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 32% | 0.321 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 6.5 | 174.3 | -73.8 | -99.4 | 0 | 0 | 0 | 113.5 | L557 C558 Q559 L563 F669 W788 | L557-N561 WeakPolarHBondContact O-CB 3.25Å; L557-N561 PolarHBondContact O-N 3.17Å; L557-N561 PolarHBondContact O-ND2 2.71Å; C558-N561 CarbonylContact O-C 3.59Å; C558-N561 PolarHBondContact O-N 2.98Å; Q559-N561 VanDerWaalsContact C-N 3.27Å; Q559-N561 PolarHBondContact O-N 2.87Å; N561-L563 PolarHBondContact O-N 2.95Å; N561-F669 HydrophobicContact CB-CE2 4.3Å; N561-F669 HydrophobicContact CB-CZ 4.48Å; N561-W788 HydrophobicContact CB-CH2 3.71Å; N561-W788 HydrophobicContact CB-CZ2 4.46Å |
| 562 | A | 82.1 | Confident | 85.4 | Confident | 52 Ų | 52 | 50.7 Ų | 50.7 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -74 | 126.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | C558 Q559 F669 | C558-A562 PolarHBondContact O-N 3.44Å; Q559-A562 WeakPolarHBondContact O-CB 3.27Å; Q559-A562 PolarHBondContact O-N 2.83Å; A562-F669 HydrophobicContact CB-CE1 4.34Å; A562-F669 HydrophobicContact CB-CZ 4.32Å |
| 563 | L | 80.1 | Confident | 86 | Confident | 57 Ų | 57 | 53.8 Ų | 53.8 | 30% | 0.298 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 142.3 | 179.9 | -69.9 | -170.7 | 0 | 0 | 0 | 111.3 | N561 Y590 R593 R594 | N561-L563 PolarHBondContact O-N 2.95Å; L563-Y590 HydrophobicContact CD1-CD2 3.76Å; L563-Y590 HydrophobicContact CD1-CG 4.46Å; L563-Y590 VanDerWaalsContact CD1-O 3.27Å; L563-Y590 WeakPolarHBondContact CD1-O 3.03Å; L563-R593 PolarHBondContact N-O 2.7Å; L563-R593 VanDerWaalsContact N-O 3.12Å; L563-R594 HydrophobicContact CB-CG 3.62Å; L563-R594 HydrophobicContact CD1-CG 4.49Å |
| 564 | P | 80.9 | Confident | 86.4 | Confident | 101 Ų | 101 | 59.4 Ų | 59.4 | 66% | 0.656 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 167.4 | 176.4 | 28.5 | -35.6 | 0 | 0 | 0 | 112.1 | R594 | P564-R594 PolarHBondContact O-NH1 3.35Å |
| 565 | S | 90.7 | Very high | 86.8 | Confident | 87 Ų | 87 | 62.3 Ų | 62.3 | 61% | 0.608 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 65.1 | -165.5 | -169.3 | -159.7 | 0 | 0 | 0 | 0 | 113 | R595 | S565-R595 PolarHBondContact O-N 3.33Å |
| 566 | H | 90.8 | Very high | 87.3 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 34% | 0.338 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 162.8 | -172 | 66 | -73.8 | 0 | 0 | 0 | 111.2 | K568 R595 Y597 | H566-K568 VanDerWaalsContact NE2-CE 3.29Å; H566-K568 WeakPolarHBondContact NE2-CE 3.39Å; H566-R595 CarbonylContact C-O 3.49Å; H566-R595 WeakPolarHBondContact CA-O 3.38Å; H566-R595 HydrophobicContact CB-CB 4.32Å; H566-R595 VanDerWaalsContact CB-O 3.3Å; H566-R595 WeakPolarHBondContact CB-O 3.44Å; H566-Y597 HydrophobicContact CB-CD2 4.14Å; H566-Y597 HydrophobicContact CB-CE2 4.19Å; H566-Y597 HydrophobicContact CB-CG 4.45Å; H566-Y597 AromaticContact CD2-CD2 3.27Å; H566-Y597 WeakPolarHBondContact CD2-CD2 3.3Å; H566-Y597 AromaticContact CD2-CE2 3.65Å; H566-Y597 AromaticContact CG-CD2 3.82Å; H566-Y597 AromaticContact CG-CE2 3.84Å; H566-Y597 AromaticContact NE2-CD2 3.96Å |
| 567 | V | 93.9 | Very high | 88.1 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138.3 | 170.4 | 64.8 | 0 | 0 | 0 | 0 | 109.4 | L587 R594 R595 L596 Y597 | V567-L587 HydrophobicContact CG2-CD1 3.59Å; V567-L587 HydrophobicContact CG2-CD2 3.76Å; V567-L587 HydrophobicContact CG2-CG 4.36Å; V567-R594 HydrophobicContact CG1-CB 4.47Å; V567-R595 PolarHBondContact N-O 2.98Å; V567-L596 HydrophobicContact CG1-CD2 3.58Å; V567-Y597 PolarHBondContact O-N 3.41Å |
| 568 | K | 93.2 | Very high | 88.8 | Confident | 114 Ų | 114 | 55.5 Ų | 55.5 | 50% | 0.496 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 123.1 | -176.7 | -63.8 | -175.5 | -179.5 | -177.3 | 0 | 110.4 | H566 N570 Q583 Y597 I599 | H566-K568 VanDerWaalsContact NE2-CE 3.29Å; H566-K568 WeakPolarHBondContact NE2-CE 3.39Å; K568-N570 PolarHBondContact O-ND2 3.36Å; K568-Q583 PolarHBondContact O-OE1 3.46Å; K568-Y597 WeakPolarHBondContact CA-O 3.36Å; K568-I599 HydrophobicContact CD-CD1 4.3Å |
| 569 | I | 94.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 110 | 178.3 | -66 | 162.2 | 0 | 0 | 0 | 107.5 | V571 Q583 I584 L596 Y597 V598 I599 W615 M666 | I569-V571 HydrophobicContact CG2-CG1 3.7Å; I569-Q583 HydrophobicContact CG2-CB 4.37Å; I569-I584 HydrophobicContact CD1-CD1 3.77Å; I569-I584 HydrophobicContact CG1-CD1 4.18Å; I569-L596 HydrophobicContact CD1-CD2 4.21Å; I569-Y597 PolarHBondContact N-O 2.88Å; I569-V598 HydrophobicContact CB-CG2 4.32Å; I569-V598 HydrophobicContact CD1-CG2 4.44Å; I569-V598 HydrophobicContact CG2-CG1 4.39Å; I569-I599 PolarHBondContact O-N 2.67Å; I569-W615 HydrophobicContact CD1-CH2 4.37Å; I569-W615 HydrophobicContact CD1-CZ2 4.49Å; I569-W615 HydrophobicContact CG2-CZ2 4.27Å; I569-M666 HydrophobicContact CD1-CE 4.37Å |
| 570 | N | 94 | Very high | 90.2 | Very high | 55 Ų | 55 | 50.2 Ų | 50.2 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 95.7 | -168.7 | -61.5 | -97.9 | 0 | 0 | 0 | 110.8 | K568 Q583 I599 R601 | K568-N570 PolarHBondContact O-ND2 3.36Å; N570-Q583 PolarHBondContact O-NE2 3.07Å; N570-I599 WeakPolarHBondContact CA-O 3.38Å; N570-R601 PolarHBondContact O-NE 3.22Å; N570-R601 VanDerWaalsContact O-NE 3.09Å; N570-R601 PolarHBondContact O-NH2 3.39Å |
| 571 | V | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 147.1 | -166.5 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | I569 L576 D579 Q583 V598 I599 F600 R601 | I569-V571 HydrophobicContact CG2-CG1 3.7Å; V571-L576 HydrophobicContact CB-CD1 4.14Å; V571-L576 HydrophobicContact CG2-CD1 3.88Å; V571-D579 WeakPolarHBondContact CA-OD2 3.44Å; V571-D579 HydrophobicContact CB-CB 3.95Å; V571-D579 HydrophobicContact CG1-CB 3.85Å; V571-Q583 HydrophobicContact CG1-CG 4.48Å; V571-V598 HydrophobicContact CG2-CG1 4.05Å; V571-I599 PolarHBondContact N-O 2.87Å; V571-F600 HydrophobicContact CG2-CD1 3.76Å; V571-F600 HydrophobicContact CG2-CE1 3.79Å; V571-F600 CarbonylContact O-C 3.58Å; V571-F600 VanDerWaalsContact O-CA 3.26Å; V571-F600 WeakPolarHBondContact O-CA 3.42Å; V571-R601 PolarHBondContact O-N 2.81Å |
| 572 | S | 93.6 | Very high | 91.9 | Very high | 17 Ų | 17 | 51.8 Ų | 51.8 | 12% | 0.119 | 28% | 0.275 | C | S | . | . | trans | -85.5 | 148.7 | 164.5 | 159.3 | 0 | 0 | 0 | 0 | 110.1 | Q574 T575 L576 D579 | S572-Q574 PolarHBondContact O-N 3.24Å; S572-Q574 PolarHBondContact OG-N 3.09Å; S572-Q574 PolarHBondContact OG-OE1 3.46Å; S572-T575 WeakPolarHBondContact CB-OG1 3.47Å; S572-T575 PolarHBondContact OG-N 3.35Å; S572-L576 WeakPolarHBondContact O-CA 3.49Å; S572-L576 WeakPolarHBondContact O-CB 3.34Å; S572-L576 PolarHBondContact O-N 2.88Å; S572-D579 PolarHBondContact N-OD2 2.85Å | ||
| 573 | R | 89.1 | Confident | 92.6 | Very high | 69 Ų | 69 | 51.8 Ų | 51.8 | 26% | 0.26 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -71.4 | -18.4 | 170.2 | -66.8 | -173.8 | -176.8 | -100.2 | -1.7 | 113.3 | F600 E603 E614 | R573-F600 HydrophobicContact CG-CD1 3.53Å; R573-F600 HydrophobicContact CG-CE1 3.87Å; R573-F600 HydrophobicContact CG-CG 4.19Å; R573-E603 WeakPolarHBondContact CD-OE1 3.49Å; R573-E603 IonicContact CZ-OE1 2.65Å; R573-E603 IonicContact CZ-OE2 3.62Å; R573-E603 VanDerWaalsContact CZ-OE2 3.27Å; R573-E603 IonicContact NE-OE1 3.91Å; R573-E603 PolarHBondContact NE-OE1 2.96Å; R573-E603 IonicContact NE-OE2 3.99Å; R573-E603 PolarHBondContact NE-OE2 2.89Å; R573-E603 IonicContact NH2-OE2 3.15Å; R573-E603 PolarHBondContact NH2-OE2 3.48Å; R573-E614 IonicContact CZ-OE1 3.4Å; R573-E614 IonicContact CZ-OE2 3.15Å; R573-E614 IonicContact NH1-OE1 3.3Å; R573-E614 PolarHBondContact NH1-OE1 2.85Å; R573-E614 IonicContact NH1-OE2 2.98Å; R573-E614 PolarHBondContact NH1-OE2 3.01Å; R573-E614 IonicContact NH2-OE1 2.71Å; R573-E614 PolarHBondContact NH2-OE1 2.8Å; R573-E614 IonicContact NH2-OE2 3.14Å; R573-E614 PolarHBondContact NH2-OE2 2.86Å |
| 574 | Q | 87.9 | Confident | 93.5 | Very high | 159 Ų | 159 | 49 Ų | 49 | 74% | 0.743 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -89.3 | -32.3 | -178.9 | -63.3 | 76.4 | 20 | 0 | 0 | 112.3 | S572 | S572-Q574 PolarHBondContact O-N 3.24Å; S572-Q574 PolarHBondContact OG-N 3.09Å; S572-Q574 PolarHBondContact OG-OE1 3.46Å |
| 575 | T | 91.7 | Very high | 94.3 | Very high | 63 Ų | 63 | 47 Ų | 47 | 39% | 0.387 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -114.7 | 30.9 | 176.6 | 56.8 | 0 | 0 | 0 | 0 | 112.4 | S572 F577 E578 D579 | S572-T575 WeakPolarHBondContact CB-OG1 3.47Å; S572-T575 PolarHBondContact OG-N 3.35Å; T575-F577 VanDerWaalsContact C-N 3.3Å; T575-F577 PolarHBondContact O-N 2.86Å; T575-F577 VanDerWaalsContact O-N 3.14Å; T575-E578 PolarHBondContact O-N 3.44Å; T575-D579 WeakPolarHBondContact O-CB 3.18Å; T575-D579 PolarHBondContact O-N 3.21Å; T575-D579 PolarHBondContact OG1-OD1 3.02Å; T575-D579 PolarHBondContact OG1-OD2 2.94Å |
| 576 | L | 94.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -52.7 | -41.8 | -167.3 | 177.1 | 61.3 | 0 | 0 | 0 | 113.9 | V571 S572 S580 F600 L618 E622 | V571-L576 HydrophobicContact CB-CD1 4.14Å; V571-L576 HydrophobicContact CG2-CD1 3.88Å; S572-L576 WeakPolarHBondContact O-CA 3.49Å; S572-L576 WeakPolarHBondContact O-CB 3.34Å; S572-L576 PolarHBondContact O-N 2.88Å; L576-S580 WeakPolarHBondContact O-CB 3.15Å; L576-S580 PolarHBondContact O-N 2.74Å; L576-S580 PolarHBondContact O-OG 3.42Å; L576-F600 HydrophobicContact CD1-CE1 4.2Å; L576-L618 HydrophobicContact CD2-CB 3.43Å; L576-L618 VanDerWaalsContact CD2-CB 3.43Å; L576-L618 HydrophobicContact CD2-CD1 4.4Å; L576-E622 HydrophobicContact CB-CG 4.31Å; L576-E622 HydrophobicContact CD2-CG 3.93Å; L576-E622 HydrophobicContact CG-CG 4.16Å |
| 577 | F | 94.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66 | -55.3 | 179.3 | -169.8 | -102.6 | 0 | 0 | 0 | 112.2 | T575 S580 F581 L619 E622 V623 Y628 L630 Y656 F659 | T575-F577 VanDerWaalsContact C-N 3.3Å; T575-F577 PolarHBondContact O-N 2.86Å; T575-F577 VanDerWaalsContact O-N 3.14Å; F577-S580 PolarHBondContact O-N 2.74Å; F577-F581 WeakPolarHBondContact O-CB 3.48Å; F577-F581 PolarHBondContact O-N 3.29Å; F577-L619 HydrophobicContact CD2-CD1 3.97Å; F577-E622 HydrophobicContact CB-CB 4Å; F577-E622 HydrophobicContact CB-CG 4.32Å; F577-E622 HydrophobicContact CD2-CB 3.72Å; F577-E622 HydrophobicContact CG-CB 4.28Å; F577-V623 HydrophobicContact CE2-CB 4.46Å; F577-V623 HydrophobicContact CE2-CG1 3.97Å; F577-Y628 HydrophobicContact CB-CE2 4.04Å; F577-Y628 HydrophobicContact CD1-CD1 4.38Å; F577-Y628 AromaticContact CD1-CD2 3.93Å; F577-Y628 HydrophobicContact CD1-CD2 3.93Å; F577-Y628 AromaticContact CD1-CE1 3.8Å; F577-Y628 HydrophobicContact CD1-CE1 3.8Å; F577-Y628 AromaticContact CD1-CE2 3.29Å; F577-Y628 HydrophobicContact CD1-CE2 3.29Å; F577-Y628 HydrophobicContact CD1-CG 4.44Å; F577-Y628 AromaticContact CD1-CZ 3.2Å; F577-Y628 VanDerWaalsContact CD1-OH 3.28Å; F577-Y628 WeakPolarHBondContact CD1-OH 3.35Å; F577-Y628 HydrophobicContact CD2-CE2 4.17Å; F577-Y628 HydrophobicContact CE1-CD1 4.05Å; F577-Y628 AromaticContact CE1-CD2 3.73Å; F577-Y628 HydrophobicContact CE1-CD2 3.73Å; F577-Y628 AromaticContact CE1-CE1 3.93Å; F577-Y628 HydrophobicContact CE1-CE1 3.93Å; F577-Y628 AromaticContact CE1-CE2 3.61Å; F577-Y628 HydrophobicContact CE1-CE2 3.61Å; F577-Y628 AromaticContact CE1-CG 3.97Å; F577-Y628 HydrophobicContact CE1-CG 3.97Å; F577-Y628 AromaticContact CE1-CZ 3.7Å; F577-Y628 HydrophobicContact CE2-CD2 4.48Å; F577-Y628 HydrophobicContact CE2-CE2 4.46Å; F577-Y628 HydrophobicContact CG-CD2 4.35Å; F577-Y628 AromaticContact CG-CE2 3.58Å; F577-Y628 HydrophobicContact CG-CE2 3.58Å; F577-Y628 AromaticContact CG-CZ 3.83Å; F577-Y628 HydrophobicContact CZ-CD2 4.03Å; F577-Y628 HydrophobicContact CZ-CE2 4.19Å; F577-Y628 HydrophobicContact CZ-CG 4.42Å; F577-L630 HydrophobicContact CZ-CD1 4.12Å; F577-Y656 HydrophobicContact CD1-CE1 4.2Å; F577-Y656 AromaticContact CE1-CD1 3.49Å; F577-Y656 HydrophobicContact CE1-CD1 3.49Å; F577-Y656 VanDerWaalsContact CE1-CD1 3.49Å; F577-Y656 AromaticContact CE1-CE1 3.43Å; F577-Y656 HydrophobicContact CE1-CE1 3.43Å; F577-Y656 VanDerWaalsContact CE1-CE1 3.43Å; F577-Y656 HydrophobicContact CE1-CG 4.44Å; F577-Y656 AromaticContact CZ-CD1 3.78Å; F577-Y656 HydrophobicContact CZ-CD1 3.78Å; F577-Y656 HydrophobicContact CZ-CE1 4.21Å; F577-F659 HydrophobicContact CD2-CE1 4.27Å; F577-F659 AromaticContact CE2-CE1 3.86Å; F577-F659 HydrophobicContact CE2-CE1 3.86Å; F577-F659 HydrophobicContact CZ-CD1 4.48Å; F577-F659 HydrophobicContact CZ-CE1 4.2Å |
| 578 | E | 94.4 | Very high | 94.9 | Very high | 49 Ų | 49 | 50.8 Ų | 50.8 | 23% | 0.229 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.2 | -44.5 | -178.6 | -55.9 | -52.6 | 149.3 | 0 | 0 | 112.2 | T575 S580 F581 Q582 Y628 Y656 | T575-E578 PolarHBondContact O-N 3.44Å; E578-S580 VanDerWaalsContact C-N 3.3Å; E578-S580 PolarHBondContact O-N 2.81Å; E578-F581 PolarHBondContact O-N 2.84Å; E578-Q582 WeakPolarHBondContact O-CB 3.41Å; E578-Q582 WeakPolarHBondContact O-CG 3.47Å; E578-Q582 PolarHBondContact O-N 2.88Å; E578-Y628 WeakPolarHBondContact OE1-CE1 3.25Å; E578-Y628 PolarHBondContact OE1-OH 3.15Å; E578-Y656 PolarHBondContact OE2-OH 3.06Å |
| 579 | D | 96.7 | Very high | 94.8 | Very high | 13 Ų | 13 | 46.8 Ų | 46.8 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.7 | -44.5 | 176.1 | -79.1 | 17.1 | 0 | 0 | 0 | 110.1 | V571 S572 T575 Q583 R601 | V571-D579 WeakPolarHBondContact CA-OD2 3.44Å; V571-D579 HydrophobicContact CB-CB 3.95Å; V571-D579 HydrophobicContact CG1-CB 3.85Å; S572-D579 PolarHBondContact N-OD2 2.85Å; T575-D579 WeakPolarHBondContact O-CB 3.18Å; T575-D579 PolarHBondContact O-N 3.21Å; T575-D579 PolarHBondContact OG1-OD1 3.02Å; T575-D579 PolarHBondContact OG1-OD2 2.94Å; D579-Q583 WeakPolarHBondContact O-CB 3.39Å; D579-Q583 WeakPolarHBondContact O-CG 3.47Å; D579-Q583 PolarHBondContact O-N 3.41Å; D579-R601 IonicContact OD1-NH1 3.83Å; D579-R601 IonicContact OD1-NH2 2.78Å; D579-R601 IonicContact OD2-CZ 3.27Å; D579-R601 IonicContact OD2-NE 2.75Å; D579-R601 IonicContact OD2-NH1 3.71Å; D579-R601 PolarHBondContact OD2-NH1 3.48Å; D579-R601 IonicContact OD2-NH2 3.18Å; D579-R601 PolarHBondContact OD2-NH2 3.4Å |
| 580 | S | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.9 | -42.1 | 178.6 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | L576 F577 E578 Q583 I584 W615 | L576-S580 WeakPolarHBondContact O-CB 3.15Å; L576-S580 PolarHBondContact O-N 2.74Å; L576-S580 PolarHBondContact O-OG 3.42Å; F577-S580 PolarHBondContact O-N 2.74Å; E578-S580 VanDerWaalsContact C-N 3.3Å; E578-S580 PolarHBondContact O-N 2.81Å; S580-Q583 PolarHBondContact O-N 3.36Å; S580-I584 WeakPolarHBondContact O-CB 3.26Å; S580-I584 VanDerWaalsContact O-CG1 3.26Å; S580-I584 WeakPolarHBondContact O-CG1 3.36Å; S580-I584 PolarHBondContact O-N 2.96Å; S580-W615 PolarHBondContact OG-NE1 2.83Å |
| 581 | F | 97.9 | Very high | 94.5 | Very high | 37 Ų | 37 | 50.7 Ų | 50.7 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56 | -52 | 175.3 | 170.8 | -107.3 | 0 | 0 | 0 | 110.7 | F577 E578 Q583 I584 M585 Y656 F659 | F577-F581 WeakPolarHBondContact O-CB 3.48Å; F577-F581 PolarHBondContact O-N 3.29Å; E578-F581 PolarHBondContact O-N 2.84Å; F581-Q583 PolarHBondContact O-N 3.32Å; F581-I584 PolarHBondContact O-N 3Å; F581-M585 HydrophobicContact CD2-CG 3.84Å; F581-M585 HydrophobicContact CE2-CG 3.74Å; F581-M585 HydrophobicContact CZ-CG 4.4Å; F581-M585 VanDerWaalsContact O-CB 3.27Å; F581-M585 WeakPolarHBondContact O-CB 3.42Å; F581-M585 VanDerWaalsContact O-CG 3.26Å; F581-M585 WeakPolarHBondContact O-CG 3.28Å; F581-M585 PolarHBondContact O-N 3.43Å; F581-Y656 HydrophobicContact CB-CE1 4.29Å; F581-Y656 AromaticContact CD1-CE1 3.86Å; F581-Y656 HydrophobicContact CD1-CE1 3.86Å; F581-Y656 AromaticContact CD2-CD1 3.57Å; F581-Y656 HydrophobicContact CD2-CD1 3.57Å; F581-Y656 AromaticContact CD2-CE1 3.73Å; F581-Y656 HydrophobicContact CD2-CE1 3.73Å; F581-Y656 HydrophobicContact CE1-CE1 4.08Å; F581-Y656 AromaticContact CE2-CD1 3.74Å; F581-Y656 HydrophobicContact CE2-CD1 3.74Å; F581-Y656 AromaticContact CE2-CE1 3.96Å; F581-Y656 HydrophobicContact CE2-CE1 3.96Å; F581-Y656 HydrophobicContact CE2-CG 4.31Å; F581-Y656 HydrophobicContact CG-CD1 4.01Å; F581-Y656 AromaticContact CG-CE1 3.68Å; F581-Y656 HydrophobicContact CG-CE1 3.68Å; F581-Y656 HydrophobicContact CZ-CD1 4.31Å; F581-Y656 HydrophobicContact CZ-CE1 4.14Å; F581-F659 HydrophobicContact CB-CD1 4.22Å; F581-F659 HydrophobicContact CB-CE1 4.14Å; F581-F659 HydrophobicContact CB-CE2 4.48Å; F581-F659 HydrophobicContact CB-CG 4.41Å; F581-F659 HydrophobicContact CB-CZ 4.27Å; F581-F659 HydrophobicContact CD2-CB 3.65Å; F581-F659 AromaticContact CD2-CD1 3.86Å; F581-F659 HydrophobicContact CD2-CD1 3.86Å; F581-F659 HydrophobicContact CD2-CD2 4.35Å; F581-F659 AromaticContact CD2-CG 3.69Å; F581-F659 HydrophobicContact CD2-CG 3.69Å; F581-F659 HydrophobicContact CE2-CB 4.04Å |
| 582 | Q | 96.9 | Very high | 94.5 | Very high | 124 Ų | 124 | 50.7 Ų | 50.7 | 58% | 0.579 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61.9 | -44.9 | 178.1 | -69.1 | 179 | 16.1 | 0 | 0 | 112.2 | E578 A586 | E578-Q582 WeakPolarHBondContact O-CB 3.41Å; E578-Q582 WeakPolarHBondContact O-CG 3.47Å; E578-Q582 PolarHBondContact O-N 2.88Å; Q582-A586 WeakPolarHBondContact O-CB 3.5Å; Q582-A586 PolarHBondContact O-N 3.03Å; Q582-A586 VanDerWaalsContact O-N 3.09Å |
| 583 | Q | 97 | Very high | 94.4 | Very high | 51 Ų | 51 | 52 Ų | 52 | 24% | 0.238 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -45.8 | -179.4 | -62.2 | -92.9 | -44.5 | 0 | 0 | 111.6 | K568 I569 N570 V571 D579 S580 F581 L587 | K568-Q583 PolarHBondContact O-OE1 3.46Å; I569-Q583 HydrophobicContact CG2-CB 4.37Å; N570-Q583 PolarHBondContact O-NE2 3.07Å; V571-Q583 HydrophobicContact CG1-CG 4.48Å; D579-Q583 WeakPolarHBondContact O-CB 3.39Å; D579-Q583 WeakPolarHBondContact O-CG 3.47Å; D579-Q583 PolarHBondContact O-N 3.41Å; S580-Q583 PolarHBondContact O-N 3.36Å; F581-Q583 PolarHBondContact O-N 3.32Å; Q583-L587 VanDerWaalsContact O-CD1 3.29Å; Q583-L587 WeakPolarHBondContact O-CD1 3.42Å; Q583-L587 VanDerWaalsContact O-CG 3.27Å; Q583-L587 WeakPolarHBondContact O-CG 3.47Å |
| 584 | I | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -78.5 | -31 | -174.9 | -61.2 | -55 | 0 | 0 | 0 | 112.8 | I569 S580 F581 L592 W615 F659 R662 M666 | I569-I584 HydrophobicContact CD1-CD1 3.77Å; I569-I584 HydrophobicContact CG1-CD1 4.18Å; S580-I584 WeakPolarHBondContact O-CB 3.26Å; S580-I584 VanDerWaalsContact O-CG1 3.26Å; S580-I584 WeakPolarHBondContact O-CG1 3.36Å; S580-I584 PolarHBondContact O-N 2.96Å; F581-I584 PolarHBondContact O-N 3Å; I584-L592 HydrophobicContact CD1-CD2 3.94Å; I584-L592 HydrophobicContact CG2-CD1 3.97Å; I584-L592 HydrophobicContact CG2-CD2 4.27Å; I584-W615 HydrophobicContact CD1-CH2 4.09Å; I584-W615 HydrophobicContact CD1-CZ2 4.32Å; I584-W615 HydrophobicContact CG1-CH2 4.19Å; I584-W615 HydrophobicContact CG1-CZ2 4.19Å; I584-F659 HydrophobicContact CB-CD2 3.88Å; I584-F659 HydrophobicContact CB-CE2 3.84Å; I584-F659 HydrophobicContact CG1-CE2 4Å; I584-F659 HydrophobicContact CG2-CD2 3.95Å; I584-F659 HydrophobicContact CG2-CE2 4.23Å; I584-R662 HydrophobicContact CG2-CB 4.11Å; I584-R662 PolarHBondContact O-NH1 2.83Å; I584-R662 VanDerWaalsContact O-NH1 3.1Å; I584-M666 HydrophobicContact CD1-CE 3.73Å; I584-M666 HydrophobicContact CD1-SD 3.94Å; I584-M666 HydrophobicContact CG2-SD 4.1Å |
| 585 | M | 97.7 | Very high | 94.7 | Very high | 57 Ų | 57 | 50.1 Ų | 50.1 | 28% | 0.281 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -81.9 | -27.2 | 177.8 | -63.7 | -57.7 | -77.8 | 0 | 0 | 113.2 | F581 L587 C658 F659 | F581-M585 HydrophobicContact CD2-CG 3.84Å; F581-M585 HydrophobicContact CE2-CG 3.74Å; F581-M585 HydrophobicContact CZ-CG 4.4Å; F581-M585 VanDerWaalsContact O-CB 3.27Å; F581-M585 WeakPolarHBondContact O-CB 3.42Å; F581-M585 VanDerWaalsContact O-CG 3.26Å; F581-M585 WeakPolarHBondContact O-CG 3.28Å; F581-M585 PolarHBondContact O-N 3.43Å; M585-L587 PolarHBondContact O-N 3.28Å; M585-C658 HydrophobicContact CE-CB 4.2Å; M585-F659 HydrophobicContact CG-CB 3.94Å; M585-F659 HydrophobicContact CG-CD2 4.47Å; M585-F659 HydrophobicContact SD-CB 3.72Å |
| 586 | A | 97.4 | Very high | 94.7 | Very high | 91 Ų | 91 | 47.7 Ų | 47.7 | 75% | 0.752 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -70.8 | -18 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q582 | Q582-A586 WeakPolarHBondContact O-CB 3.5Å; Q582-A586 PolarHBondContact O-N 3.03Å; Q582-A586 VanDerWaalsContact O-N 3.09Å |
| 587 | L | 95.9 | Very high | 94.6 | Very high | 42 Ų | 42 | 51.4 Ų | 51.4 | 22% | 0.22 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -86.5 | 148 | 177.8 | -71.3 | 165.6 | 0 | 0 | 0 | 111.9 | V567 Q583 M585 L592 R662 | V567-L587 HydrophobicContact CG2-CD1 3.59Å; V567-L587 HydrophobicContact CG2-CD2 3.76Å; V567-L587 HydrophobicContact CG2-CG 4.36Å; Q583-L587 VanDerWaalsContact O-CD1 3.29Å; Q583-L587 WeakPolarHBondContact O-CD1 3.42Å; Q583-L587 VanDerWaalsContact O-CG 3.27Å; Q583-L587 WeakPolarHBondContact O-CG 3.47Å; M585-L587 PolarHBondContact O-N 3.28Å; L587-L592 HydrophobicContact CB-CD2 3.84Å; L587-L592 HydrophobicContact CB-CG 4.45Å; L587-L592 HydrophobicContact CD1-CD2 3.65Å; L587-L592 HydrophobicContact CG-CD2 4.4Å; L587-R662 PolarHBondContact O-NH1 2.75Å |
| 588 | K | 94.1 | Very high | 94.4 | Very high | 123 Ų | 123 | 51.3 Ų | 51.3 | 54% | 0.535 | 24% | 0.242 | S | C | . | . | trans | -75.1 | 144.1 | 170.1 | -64.5 | 176.8 | 175.9 | -178.4 | 0 | 109.5 | Y590 D591 | K588-Y590 VanDerWaalsContact C-N 3.3Å; K588-Y590 HydrophobicContact CB-CD1 4.3Å; K588-Y590 HydrophobicContact CB-CE1 3.94Å; K588-Y590 HydrophobicContact CD-CE1 3.8Å; K588-Y590 WeakPolarHBondContact CD-OH 3.26Å; K588-Y590 PolarHBondContact NZ-OH 3.1Å; K588-Y590 PolarHBondContact O-N 3.03Å; K588-Y590 VanDerWaalsContact O-N 3.14Å; K588-D591 WeakPolarHBondContact O-CB 3.47Å; K588-D591 PolarHBondContact O-N 3.15Å | ||
| 589 | P | 92.3 | Very high | 94.3 | Very high | 29 Ų | 29 | 51.8 Ų | 51.8 | 19% | 0.188 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -55.5 | -37.8 | -173.3 | -30.7 | 36.1 | 0 | 0 | 0 | 115.9 | D591 L592 E782 V783 | P589-D591 VanDerWaalsContact C-N 3.3Å; P589-D591 PolarHBondContact O-N 3.33Å; P589-L592 WeakPolarHBondContact O-CB 3.5Å; P589-L592 PolarHBondContact O-N 2.88Å; P589-E782 HydrophobicContact CB-CB 3.78Å; P589-E782 HydrophobicContact CG-CB 3.83Å; P589-E782 HydrophobicContact CG-CG 4.04Å; P589-E782 WeakPolarHBondContact CG-OE2 3.35Å; P589-V783 HydrophobicContact CB-CG2 4.35Å |
| 590 | Y | 87.8 | Confident | 94 | Very high | 109 Ų | 109 | 51.3 Ų | 51.3 | 43% | 0.427 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -68.3 | -29.5 | 179 | 62.6 | -106.9 | 0 | 0 | 0 | 112.4 | L563 K588 L592 R593 | L563-Y590 HydrophobicContact CD1-CD2 3.76Å; L563-Y590 HydrophobicContact CD1-CG 4.46Å; L563-Y590 VanDerWaalsContact CD1-O 3.27Å; L563-Y590 WeakPolarHBondContact CD1-O 3.03Å; K588-Y590 VanDerWaalsContact C-N 3.3Å; K588-Y590 HydrophobicContact CB-CD1 4.3Å; K588-Y590 HydrophobicContact CB-CE1 3.94Å; K588-Y590 HydrophobicContact CD-CE1 3.8Å; K588-Y590 WeakPolarHBondContact CD-OH 3.26Å; K588-Y590 PolarHBondContact NZ-OH 3.1Å; K588-Y590 PolarHBondContact O-N 3.03Å; K588-Y590 VanDerWaalsContact O-N 3.14Å; Y590-L592 PolarHBondContact O-N 3.09Å; Y590-R593 WeakPolarHBondContact O-CB 3.41Å; Y590-R593 PolarHBondContact O-N 3.02Å |
| 591 | D | 93.3 | Very high | 93.6 | Very high | 28 Ų | 28 | 57.3 Ų | 57.3 | 15% | 0.15 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -69.5 | -22.1 | 177.3 | -70.4 | -52.1 | 0 | 0 | 0 | 111.7 | K588 P589 R593 R594 | K588-D591 WeakPolarHBondContact O-CB 3.47Å; K588-D591 PolarHBondContact O-N 3.15Å; P589-D591 VanDerWaalsContact C-N 3.3Å; P589-D591 PolarHBondContact O-N 3.33Å; D591-R593 PolarHBondContact O-N 3.26Å; D591-R594 WeakPolarHBondContact O-CB 3.49Å; D591-R594 WeakPolarHBondContact O-CG 3.23Å; D591-R594 PolarHBondContact O-N 3.31Å; D591-R594 VanDerWaalsContact O-N 3.12Å; D591-R594 IonicContact OD1-CZ 2.73Å; D591-R594 IonicContact OD1-NE 2.98Å; D591-R594 PolarHBondContact OD1-NE 3.03Å; D591-R594 IonicContact OD1-NH2 3.09Å; D591-R594 PolarHBondContact OD1-NH2 3.1Å |
| 592 | L | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -69.1 | -10.6 | 170.8 | -54.2 | 176.9 | 0 | 0 | 0 | 113.1 | I584 L587 P589 Y590 R662 M666 H670 V783 | I584-L592 HydrophobicContact CD1-CD2 3.94Å; I584-L592 HydrophobicContact CG2-CD1 3.97Å; I584-L592 HydrophobicContact CG2-CD2 4.27Å; L587-L592 HydrophobicContact CB-CD2 3.84Å; L587-L592 HydrophobicContact CB-CG 4.45Å; L587-L592 HydrophobicContact CD1-CD2 3.65Å; L587-L592 HydrophobicContact CG-CD2 4.4Å; P589-L592 WeakPolarHBondContact O-CB 3.5Å; P589-L592 PolarHBondContact O-N 2.88Å; Y590-L592 PolarHBondContact O-N 3.09Å; L592-R662 HydrophobicContact CD1-CB 4.25Å; L592-R662 HydrophobicContact CD1-CG 4.32Å; L592-M666 HydrophobicContact CB-CG 4.04Å; L592-M666 HydrophobicContact CB-SD 4.08Å; L592-M666 HydrophobicContact CD1-SD 3.97Å; L592-M666 HydrophobicContact CD2-CE 4.36Å; L592-M666 HydrophobicContact CD2-SD 3.96Å; L592-M666 HydrophobicContact CG-SD 4.22Å; L592-H670 PolarHBondContact O-NE2 2.91Å; L592-V783 HydrophobicContact CB-CG1 4.45Å; L592-V783 HydrophobicContact CB-CG2 4.35Å; L592-V783 HydrophobicContact CD1-CG2 3.76Å |
| 593 | R | 92.6 | Very high | 92.2 | Very high | 44 Ų | 44 | 58 Ų | 58 | 17% | 0.166 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -89.1 | 0.2 | 171.1 | -56.6 | -176.6 | -170.5 | 152.9 | 10.3 | 113.5 | L563 Y590 D591 F669 E782 V783 | L563-R593 PolarHBondContact N-O 2.7Å; L563-R593 VanDerWaalsContact N-O 3.12Å; Y590-R593 WeakPolarHBondContact O-CB 3.41Å; Y590-R593 PolarHBondContact O-N 3.02Å; D591-R593 PolarHBondContact O-N 3.26Å; R593-F669 HydrophobicContact CB-CD1 4.46Å; R593-F669 HydrophobicContact CB-CE1 3.73Å; R593-F669 HydrophobicContact CB-CE2 4.24Å; R593-F669 HydrophobicContact CB-CZ 3.6Å; R593-F669 HydrophobicContact CG-CD2 4.33Å; R593-F669 HydrophobicContact CG-CE1 4.13Å; R593-F669 HydrophobicContact CG-CE2 3.88Å; R593-F669 HydrophobicContact CG-CZ 3.77Å; R593-E782 PolarHBondContact NH2-O 3.12Å; R593-E782 VanDerWaalsContact NH2-O 3.09Å; R593-V783 PolarHBondContact NE-O 3.24Å; R593-V783 PolarHBondContact NH2-O 3.34Å; R593-V783 VanDerWaalsContact NH2-O 3.1Å |
| 594 | R | 91.9 | Very high | 90.7 | Very high | 59 Ų | 59 | 65.6 Ų | 65.6 | 22% | 0.223 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 162.4 | 169.4 | -62.9 | -178.9 | -164 | -76.9 | -3.3 | 110.8 | L563 P564 V567 D591 L596 H670 | L563-R594 HydrophobicContact CB-CG 3.62Å; L563-R594 HydrophobicContact CD1-CG 4.49Å; P564-R594 PolarHBondContact O-NH1 3.35Å; V567-R594 HydrophobicContact CG1-CB 4.47Å; D591-R594 WeakPolarHBondContact O-CB 3.49Å; D591-R594 WeakPolarHBondContact O-CG 3.23Å; D591-R594 PolarHBondContact O-N 3.31Å; D591-R594 VanDerWaalsContact O-N 3.12Å; D591-R594 IonicContact OD1-CZ 2.73Å; D591-R594 IonicContact OD1-NE 2.98Å; D591-R594 PolarHBondContact OD1-NE 3.03Å; D591-R594 IonicContact OD1-NH2 3.09Å; D591-R594 PolarHBondContact OD1-NH2 3.1Å; R594-L596 PolarHBondContact O-N 2.9Å; R594-H670 PolarHBondContact O-CE1 2.73Å |
| 595 | R | 90.8 | Very high | 89 | Confident | 131 Ų | 131 | 67.6 Ų | 67.6 | 49% | 0.494 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 121.9 | 174.5 | -178.3 | 172.6 | 176.8 | 176 | -6.5 | 110.6 | S565 H566 V567 Y597 | S565-R595 PolarHBondContact O-N 3.33Å; H566-R595 CarbonylContact C-O 3.49Å; H566-R595 WeakPolarHBondContact CA-O 3.38Å; H566-R595 HydrophobicContact CB-CB 4.32Å; H566-R595 VanDerWaalsContact CB-O 3.3Å; H566-R595 WeakPolarHBondContact CB-O 3.44Å; V567-R595 PolarHBondContact N-O 2.98Å; R595-Y597 HydrophobicContact CG-CE1 4.3Å |
| 596 | L | 92.1 | Very high | 87.2 | Confident | 12 Ų | 12 | 71.4 Ų | 71.4 | 6% | 0.063 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 131.8 | 176.6 | -48.4 | -177.6 | 0 | 0 | 0 | 110.1 | V567 I569 R594 F616 M666 | V567-L596 HydrophobicContact CG1-CD2 3.58Å; I569-L596 HydrophobicContact CD1-CD2 4.21Å; R594-L596 PolarHBondContact O-N 2.9Å; L596-F616 HydrophobicContact CD1-CE2 3.84Å; L596-F616 HydrophobicContact CD1-CZ 4.01Å; L596-M666 HydrophobicContact CD1-CE 3.59Å; L596-M666 HydrophobicContact CD2-CE 3.83Å; L596-M666 HydrophobicContact CG-CE 4.39Å |
| 597 | Y | 91.4 | Very high | 85.6 | Confident | 78 Ų | 78 | 67.9 Ų | 67.9 | 31% | 0.306 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 109.7 | 162.4 | -77 | -13.3 | 0 | 0 | 0 | 108.2 | H566 V567 K568 I569 R595 D607 | H566-Y597 HydrophobicContact CB-CD2 4.14Å; H566-Y597 HydrophobicContact CB-CE2 4.19Å; H566-Y597 HydrophobicContact CB-CG 4.45Å; H566-Y597 AromaticContact CD2-CD2 3.27Å; H566-Y597 WeakPolarHBondContact CD2-CD2 3.3Å; H566-Y597 AromaticContact CD2-CE2 3.65Å; H566-Y597 AromaticContact CG-CD2 3.82Å; H566-Y597 AromaticContact CG-CE2 3.84Å; H566-Y597 AromaticContact NE2-CD2 3.96Å; V567-Y597 PolarHBondContact O-N 3.41Å; K568-Y597 WeakPolarHBondContact CA-O 3.36Å; I569-Y597 PolarHBondContact N-O 2.88Å; R595-Y597 HydrophobicContact CG-CE1 4.3Å; Y597-D607 HydrophobicContact CD1-CB 4.43Å |
| 598 | V | 91.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 134.1 | 175.9 | -171.6 | 0 | 0 | 0 | 0 | 110 | I569 V571 D607 L611 A612 W615 | I569-V598 HydrophobicContact CB-CG2 4.32Å; I569-V598 HydrophobicContact CD1-CG2 4.44Å; I569-V598 HydrophobicContact CG2-CG1 4.39Å; V571-V598 HydrophobicContact CG2-CG1 4.05Å; V598-D607 PolarHBondContact N-OD2 2.97Å; V598-L611 HydrophobicContact CB-CB 4.44Å; V598-L611 WeakPolarHBondContact O-CD1 3.46Å; V598-A612 HydrophobicContact CG2-CB 4.26Å; V598-W615 HydrophobicContact CB-CB 4.29Å; V598-W615 HydrophobicContact CB-CG 4.5Å; V598-W615 HydrophobicContact CG1-CB 3.88Å; V598-W615 HydrophobicContact CG1-CG 3.86Å; V598-W615 HydrophobicContact CG2-CB 3.96Å; V598-W615 HydrophobicContact CG2-CD2 4.14Å; V598-W615 HydrophobicContact CG2-CE3 4.39Å; V598-W615 HydrophobicContact CG2-CG 3.97Å |
| 599 | I | 90.7 | Very high | 82.6 | Confident | 60 Ų | 60 | 70.4 Ų | 70.4 | 31% | 0.308 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 115.5 | -178.1 | -59.6 | 171.5 | 0 | 0 | 0 | 107.5 | K568 I569 N570 V571 | K568-I599 HydrophobicContact CD-CD1 4.3Å; I569-I599 PolarHBondContact O-N 2.67Å; N570-I599 WeakPolarHBondContact CA-O 3.38Å; V571-I599 PolarHBondContact N-O 2.87Å |
| 600 | F | 90.9 | Very high | 81.9 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 1% | 0.013 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 124.9 | 170.6 | -70.4 | -72.5 | 0 | 0 | 0 | 110 | V571 R573 L576 G602 E603 L611 E614 W615 L618 | V571-F600 HydrophobicContact CG2-CD1 3.76Å; V571-F600 HydrophobicContact CG2-CE1 3.79Å; V571-F600 CarbonylContact O-C 3.58Å; V571-F600 VanDerWaalsContact O-CA 3.26Å; V571-F600 WeakPolarHBondContact O-CA 3.42Å; R573-F600 HydrophobicContact CG-CD1 3.53Å; R573-F600 HydrophobicContact CG-CE1 3.87Å; R573-F600 HydrophobicContact CG-CG 4.19Å; L576-F600 HydrophobicContact CD1-CE1 4.2Å; F600-G602 PolarHBondContact O-N 2.83Å; F600-E603 HydrophobicContact CB-CB 4.14Å; F600-E603 VanDerWaalsContact CB-CD 3.48Å; F600-E603 HydrophobicContact CB-CG 4.29Å; F600-E603 WeakPolarHBondContact CB-OE2 3.21Å; F600-E603 PolarHBondContact O-N 2.89Å; F600-E603 VanDerWaalsContact O-N 3.15Å; F600-L611 HydrophobicContact CD2-CD2 4.3Å; F600-L611 HydrophobicContact CE2-CB 4.48Å; F600-L611 HydrophobicContact CE2-CD2 4.44Å; F600-E614 HydrophobicContact CE2-CG 4.41Å; F600-E614 HydrophobicContact CZ-CG 4.45Å; F600-W615 HydrophobicContact CZ-CB 4.42Å; F600-L618 HydrophobicContact CZ-CD1 4.39Å |
| 601 | R | 90.6 | Very high | 81.8 | Confident | 126 Ų | 126 | 67.7 Ų | 67.7 | 48% | 0.475 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 117 | -174.7 | -65.7 | 178.8 | -167.3 | 155.7 | 9.4 | 110.7 | N570 V571 D579 | N570-R601 PolarHBondContact O-NE 3.22Å; N570-R601 VanDerWaalsContact O-NE 3.09Å; N570-R601 PolarHBondContact O-NH2 3.39Å; V571-R601 PolarHBondContact O-N 2.81Å; D579-R601 IonicContact OD1-NH1 3.83Å; D579-R601 IonicContact OD1-NH2 2.78Å; D579-R601 IonicContact OD2-CZ 3.27Å; D579-R601 IonicContact OD2-NE 2.75Å; D579-R601 IonicContact OD2-NH1 3.71Å; D579-R601 PolarHBondContact OD2-NH1 3.48Å; D579-R601 IonicContact OD2-NH2 3.18Å; D579-R601 PolarHBondContact OD2-NH2 3.4Å |
| 602 | G | 82.7 | Confident | 81.5 | Confident | 90 Ų | 90 | 66.5 Ų | 66.5 | 93% | 0.928 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96 | 3.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | F600 | F600-G602 PolarHBondContact O-N 2.83Š|
| 603 | E | 82.1 | Confident | 81 | Confident | 84 Ų | 84 | 69 Ų | 69 | 39% | 0.393 | 36% | 0.356 | S | S | . | . | trans | -113.7 | 132.6 | 178.6 | -70.5 | 163.4 | -132.4 | 0 | 0 | 111.1 | R573 F600 G605 | R573-E603 WeakPolarHBondContact CD-OE1 3.49Å; R573-E603 IonicContact CZ-OE1 2.65Å; R573-E603 IonicContact CZ-OE2 3.62Å; R573-E603 VanDerWaalsContact CZ-OE2 3.27Å; R573-E603 IonicContact NE-OE1 3.91Å; R573-E603 PolarHBondContact NE-OE1 2.96Å; R573-E603 IonicContact NE-OE2 3.99Å; R573-E603 PolarHBondContact NE-OE2 2.89Å; R573-E603 IonicContact NH2-OE2 3.15Å; R573-E603 PolarHBondContact NH2-OE2 3.48Å; F600-E603 HydrophobicContact CB-CB 4.14Å; F600-E603 VanDerWaalsContact CB-CD 3.48Å; F600-E603 HydrophobicContact CB-CG 4.29Å; F600-E603 WeakPolarHBondContact CB-OE2 3.21Å; F600-E603 PolarHBondContact O-N 2.89Å; F600-E603 VanDerWaalsContact O-N 3.15Å; E603-G605 PolarHBondContact O-N 3.04Å | ||
| 604 | E | 66.7 | Low | 80.9 | Confident | 211 Ų | 211 | 69 Ų | 69 | 99% | 0.986 | 36% | 0.358 | S | S | * | . | trans | -81.9 | 108.9 | 171.5 | -67.8 | -168.8 | 169 | 0 | 0 | 110 | ||||
| 605 | G | 61.3 | Low | 80.9 | Confident | 42 Ų | 42 | 66.2 Ų | 66.2 | 43% | 0.433 | 35% | 0.348 | S | S | . | . | trans | -151.8 | 130.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E603 | E603-G605 PolarHBondContact O-N 3.04Š| ||
| 606 | L | 60.4 | Low | 81 | Confident | 137 Ų | 137 | 60 Ų | 60 | 72% | 0.717 | 32% | 0.324 | S | S | * | . | trans | -94.2 | 111 | 172.2 | -70.6 | 169.8 | 0 | 0 | 0 | 109.2 | Y608 | L606-Y608 VanDerWaalsContact C-N 3.34Å; L606-Y608 HydrophobicContact CB-CD2 4.01Å; L606-Y608 HydrophobicContact CB-CE2 3.58Å; L606-Y608 HydrophobicContact CD1-CE2 4.15Å; L606-Y608 HydrophobicContact CG-CE2 4.5Å; L606-Y608 WeakPolarHBondContact O-CD2 3.34Å; L606-Y608 PolarHBondContact O-N 3.17Å | ||
| 607 | D | 63.3 | Low | 80.9 | Confident | 17 Ų | 17 | 59.6 Ų | 59.6 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | trans | -77 | 81.4 | -176.1 | -165 | 12.8 | 0 | 0 | 0 | 113 | Y597 V598 G609 G610 L611 A612 | Y597-D607 HydrophobicContact CD1-CB 4.43Å; V598-D607 PolarHBondContact N-OD2 2.97Å; D607-G609 PolarHBondContact O-N 3.17Å; D607-G609 VanDerWaalsContact O-N 3.09Å; D607-G609 VanDerWaalsContact OD1-C 3.3Å; D607-G609 WeakPolarHBondContact OD1-CA 3.22Å; D607-G609 PolarHBondContact OD1-N 2.84Å; D607-G610 PolarHBondContact OD1-N 2.93Å; D607-G610 VanDerWaalsContact OD1-N 3.1Å; D607-L611 HydrophobicContact CB-CB 4.21Å; D607-L611 HydrophobicContact CB-CD1 4.25Å; D607-L611 HydrophobicContact CB-CG 4.41Å; D607-L611 PolarHBondContact OD1-N 3.03Å; D607-A612 PolarHBondContact OD1-N 3.49Å; D607-A612 PolarHBondContact OD2-N 2.85Å | ||
| 608 | Y | 59.6 | Low | 80.9 | Confident | 196 Ų | 196 | 57.5 Ų | 57.5 | 77% | 0.769 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -71.5 | 15.5 | 164.4 | -65.4 | -79.4 | 0 | 0 | 0 | 112.9 | L606 | L606-Y608 VanDerWaalsContact C-N 3.34Å; L606-Y608 HydrophobicContact CB-CD2 4.01Å; L606-Y608 HydrophobicContact CB-CE2 3.58Å; L606-Y608 HydrophobicContact CD1-CE2 4.15Å; L606-Y608 HydrophobicContact CG-CE2 4.5Å; L606-Y608 WeakPolarHBondContact O-CD2 3.34Å; L606-Y608 PolarHBondContact O-N 3.17Å |
| 609 | G | 67.3 | Low | 81 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 23% | 0.227 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 102.7 | 1.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.3 | D607 R613 K672 | D607-G609 PolarHBondContact O-N 3.17Å; D607-G609 VanDerWaalsContact O-N 3.09Å; D607-G609 VanDerWaalsContact OD1-C 3.3Å; D607-G609 WeakPolarHBondContact OD1-CA 3.22Å; D607-G609 PolarHBondContact OD1-N 2.84Å; G609-R613 PolarHBondContact O-N 3.34Å; G609-K672 PolarHBondContact O-NZ 3.43Å |
| 610 | G | 77.3 | Confident | 81.1 | Confident | 47 Ų | 47 | 54.7 Ų | 54.7 | 49% | 0.485 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -82.8 | -44.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D607 A612 R613 E614 | D607-G610 PolarHBondContact OD1-N 2.93Å; D607-G610 VanDerWaalsContact OD1-N 3.1Å; G610-A612 VanDerWaalsContact C-N 3.29Å; G610-A612 PolarHBondContact O-N 2.87Å; G610-R613 WeakPolarHBondContact O-CB 3.49Å; G610-R613 PolarHBondContact O-N 3.23Å; G610-E614 PolarHBondContact O-N 2.91Å |
| 611 | L | 85.6 | Confident | 80.9 | Confident | 34 Ų | 34 | 56 Ų | 56 | 18% | 0.178 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.1 | -36.2 | 176.5 | -58.5 | -178.6 | 0 | 0 | 0 | 110.2 | V598 F600 D607 R613 E614 W615 | V598-L611 HydrophobicContact CB-CB 4.44Å; V598-L611 WeakPolarHBondContact O-CD1 3.46Å; F600-L611 HydrophobicContact CD2-CD2 4.3Å; F600-L611 HydrophobicContact CE2-CB 4.48Å; F600-L611 HydrophobicContact CE2-CD2 4.44Å; D607-L611 HydrophobicContact CB-CB 4.21Å; D607-L611 HydrophobicContact CB-CD1 4.25Å; D607-L611 HydrophobicContact CB-CG 4.41Å; D607-L611 PolarHBondContact OD1-N 3.03Å; L611-R613 VanDerWaalsContact C-N 3.34Å; L611-R613 PolarHBondContact O-N 3.15Å; L611-E614 PolarHBondContact O-N 2.88Å; L611-W615 WeakPolarHBondContact O-CB 3.41Å; L611-W615 PolarHBondContact O-N 2.94Å |
| 612 | A | 87.9 | Confident | 80.9 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57 | -42.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V598 D607 G610 W615 F616 | V598-A612 HydrophobicContact CG2-CB 4.26Å; D607-A612 PolarHBondContact OD1-N 3.49Å; D607-A612 PolarHBondContact OD2-N 2.85Å; G610-A612 VanDerWaalsContact C-N 3.29Å; G610-A612 PolarHBondContact O-N 2.87Å; A612-W615 PolarHBondContact O-N 2.9Å; A612-F616 VanDerWaalsContact O-CD2 3.22Å; A612-F616 WeakPolarHBondContact O-CD2 3.44Å; A612-F616 PolarHBondContact O-N 2.69Å; A612-F616 VanDerWaalsContact O-N 3.1Å |
| 613 | R | 85.4 | Confident | 81.3 | Confident | 54 Ų | 54 | 46.3 Ų | 46.3 | 20% | 0.204 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.3 | -41.1 | 177.8 | -174.2 | 176.2 | -170.4 | 166.8 | 8.8 | 111.6 | F437 N438 R440 G609 G610 L611 F617 | F437-R613 HydrophobicContact CE1-CG 3.97Å; F437-R613 PolarHBondContact O-NH2 3.47Å; N438-R613 PolarHBondContact O-NH1 3.15Å; N438-R613 PolarHBondContact O-NH2 2.95Å; N438-R613 VanDerWaalsContact OD1-CD 3.32Å; N438-R613 WeakPolarHBondContact OD1-CD 3.4Å; N438-R613 PolarHBondContact OD1-NE 3.14Å; R440-R613 PolarHBondContact O-NH2 2.77Å; G609-R613 PolarHBondContact O-N 3.34Å; G610-R613 WeakPolarHBondContact O-CB 3.49Å; G610-R613 PolarHBondContact O-N 3.23Å; L611-R613 VanDerWaalsContact C-N 3.34Å; L611-R613 PolarHBondContact O-N 3.15Å; R613-F617 WeakPolarHBondContact O-CB 3.19Å; R613-F617 PolarHBondContact O-N 3.47Å; R613-F617 VanDerWaalsContact O-N 3.09Å |
| 614 | E | 88.6 | Confident | 81.6 | Confident | 44 Ų | 44 | 43.5 Ų | 43.5 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.8 | -41.4 | 174.9 | -176.9 | 174.9 | -146.5 | 0 | 0 | 112.3 | M434 R573 F600 G610 L611 F617 L618 | M434-E614 HydrophobicContact CE-CB 3.8Å; M434-E614 HydrophobicContact CE-CG 4.13Å; R573-E614 IonicContact CZ-OE1 3.4Å; R573-E614 IonicContact CZ-OE2 3.15Å; R573-E614 IonicContact NH1-OE1 3.3Å; R573-E614 PolarHBondContact NH1-OE1 2.85Å; R573-E614 IonicContact NH1-OE2 2.98Å; R573-E614 PolarHBondContact NH1-OE2 3.01Å; R573-E614 IonicContact NH2-OE1 2.71Å; R573-E614 PolarHBondContact NH2-OE1 2.8Å; R573-E614 IonicContact NH2-OE2 3.14Å; R573-E614 PolarHBondContact NH2-OE2 2.86Å; F600-E614 HydrophobicContact CE2-CG 4.41Å; F600-E614 HydrophobicContact CZ-CG 4.45Å; G610-E614 PolarHBondContact O-N 2.91Å; L611-E614 PolarHBondContact O-N 2.88Å; E614-F617 WeakPolarHBondContact O-CB 3.23Å; E614-F617 PolarHBondContact O-N 2.83Å; E614-L618 HydrophobicContact CG-CD1 3.74Å; E614-L618 HydrophobicContact CG-CG 4.12Å; E614-L618 WeakPolarHBondContact O-CG 3.27Å; E614-L618 PolarHBondContact O-N 2.79Å |
| 615 | W | 93.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.9 | -47.6 | 176.9 | 178.8 | 77.5 | 0 | 0 | 0 | 112.3 | I569 S580 I584 V598 F600 L611 A612 F617 L618 L619 F663 M666 | I569-W615 HydrophobicContact CD1-CH2 4.37Å; I569-W615 HydrophobicContact CD1-CZ2 4.49Å; I569-W615 HydrophobicContact CG2-CZ2 4.27Å; S580-W615 PolarHBondContact OG-NE1 2.83Å; I584-W615 HydrophobicContact CD1-CH2 4.09Å; I584-W615 HydrophobicContact CD1-CZ2 4.32Å; I584-W615 HydrophobicContact CG1-CH2 4.19Å; I584-W615 HydrophobicContact CG1-CZ2 4.19Å; V598-W615 HydrophobicContact CB-CB 4.29Å; V598-W615 HydrophobicContact CB-CG 4.5Å; V598-W615 HydrophobicContact CG1-CB 3.88Å; V598-W615 HydrophobicContact CG1-CG 3.86Å; V598-W615 HydrophobicContact CG2-CB 3.96Å; V598-W615 HydrophobicContact CG2-CD2 4.14Å; V598-W615 HydrophobicContact CG2-CE3 4.39Å; V598-W615 HydrophobicContact CG2-CG 3.97Å; F600-W615 HydrophobicContact CZ-CB 4.42Å; L611-W615 WeakPolarHBondContact O-CB 3.41Å; L611-W615 PolarHBondContact O-N 2.94Å; A612-W615 PolarHBondContact O-N 2.9Å; W615-F617 VanDerWaalsContact C-N 3.35Å; W615-F617 PolarHBondContact O-N 2.9Å; W615-L618 PolarHBondContact O-N 2.77Å; W615-L619 HydrophobicContact CD2-CD2 4.33Å; W615-L619 HydrophobicContact CH2-CD2 3.87Å; W615-L619 HydrophobicContact CZ2-CD2 3.36Å; W615-L619 WeakPolarHBondContact O-CB 3.12Å; W615-L619 PolarHBondContact O-N 2.87Å; W615-F663 HydrophobicContact CH2-CD2 4.02Å; W615-F663 HydrophobicContact CH2-CE2 4.39Å; W615-F663 HydrophobicContact CZ3-CD2 4.12Å; W615-F663 HydrophobicContact CZ3-CE2 4.17Å; W615-M666 HydrophobicContact CH2-CE 3.97Å; W615-M666 HydrophobicContact CZ3-CE 4.09Å |
| 616 | F | 93.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.4 | -45 | 173.5 | -82.4 | -76 | 0 | 0 | 0 | 111.6 | L596 A612 S620 F663 M666 A667 K672 F673 I674 | L596-F616 HydrophobicContact CD1-CE2 3.84Å; L596-F616 HydrophobicContact CD1-CZ 4.01Å; A612-F616 VanDerWaalsContact O-CD2 3.22Å; A612-F616 WeakPolarHBondContact O-CD2 3.44Å; A612-F616 PolarHBondContact O-N 2.69Å; A612-F616 VanDerWaalsContact O-N 3.1Å; F616-S620 WeakPolarHBondContact O-CB 3.25Å; F616-S620 PolarHBondContact O-N 3.38Å; F616-S620 PolarHBondContact O-OG 3.25Å; F616-F663 AromaticContact CD1-CD2 3.96Å; F616-F663 HydrophobicContact CD1-CD2 3.96Å; F616-F663 AromaticContact CD1-CE2 3.29Å; F616-F663 HydrophobicContact CD1-CE2 3.29Å; F616-F663 AromaticContact CD1-CZ 3.85Å; F616-F663 HydrophobicContact CD1-CZ 3.85Å; F616-F663 AromaticContact CE1-CD2 3.88Å; F616-F663 HydrophobicContact CE1-CD2 3.88Å; F616-F663 AromaticContact CE1-CE2 3.72Å; F616-F663 HydrophobicContact CE1-CE2 3.72Å; F616-F663 HydrophobicContact CG-CE2 4.22Å; F616-M666 HydrophobicContact CE1-CB 4.17Å; F616-M666 HydrophobicContact CZ-CB 3.92Å; F616-A667 HydrophobicContact CD1-CB 3.7Å; F616-A667 VanDerWaalsContact CE1-CA 3.42Å; F616-A667 HydrophobicContact CE1-CB 3.51Å; F616-A667 HydrophobicContact CZ-CB 4.32Å; F616-K672 HydrophobicContact CB-CB 4.32Å; F616-K672 HydrophobicContact CD1-CB 4.44Å; F616-K672 HydrophobicContact CD2-CB 3.35Å; F616-K672 HydrophobicContact CD2-CD 4.49Å; F616-K672 HydrophobicContact CD2-CG 3.56Å; F616-K672 HydrophobicContact CE2-CB 3.68Å; F616-K672 HydrophobicContact CE2-CG 3.59Å; F616-K672 HydrophobicContact CG-CB 3.8Å; F616-K672 HydrophobicContact CG-CG 4.48Å; F616-K672 HydrophobicContact CZ-CB 4.35Å; F616-F673 WeakPolarHBondContact CB-O 3.47Å; F616-I674 HydrophobicContact CD1-CG2 4.3Å |
| 617 | F | 89.9 | Confident | 85.3 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 1% | 0.013 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.3 | -52.9 | 177.1 | 175.2 | -104.2 | 0 | 0 | 0 | 113 | L430 A433 M434 F437 R613 E614 W615 S620 H621 D675 | L430-F617 HydrophobicContact CB-CE1 4.08Å; L430-F617 HydrophobicContact CB-CZ 4Å; L430-F617 HydrophobicContact CD2-CZ 4.18Å; A433-F617 HydrophobicContact CB-CZ 4.14Å; M434-F617 HydrophobicContact CB-CD1 4.38Å; M434-F617 HydrophobicContact CB-CE1 3.84Å; M434-F617 HydrophobicContact CB-CZ 4.08Å; M434-F617 HydrophobicContact CE-CB 4.49Å; M434-F617 HydrophobicContact CG-CD1 4.33Å; M434-F617 HydrophobicContact CG-CE1 4.29Å; M434-F617 HydrophobicContact SD-CB 4Å; M434-F617 HydrophobicContact SD-CD1 3.48Å; M434-F617 WeakPolarHBondContact SD-CD1 3.33Å; M434-F617 HydrophobicContact SD-CD2 4.12Å; M434-F617 HydrophobicContact SD-CE1 3.92Å; M434-F617 HydrophobicContact SD-CE2 4.48Å; M434-F617 HydrophobicContact SD-CG 3.59Å; M434-F617 VanDerWaalsContact SD-CG 3.59Å; M434-F617 HydrophobicContact SD-CZ 4.4Å; F437-F617 HydrophobicContact CB-CD2 3.99Å; F437-F617 HydrophobicContact CB-CE2 3.85Å; F437-F617 HydrophobicContact CD1-CB 4.04Å; F437-F617 AromaticContact CD1-CD2 3.54Å; F437-F617 HydrophobicContact CD1-CD2 3.54Å; F437-F617 HydrophobicContact CD1-CE2 4.26Å; F437-F617 AromaticContact CD1-CG 4Å; F437-F617 HydrophobicContact CD1-CG 4Å; F437-F617 AromaticContact CD2-CD2 3.64Å; F437-F617 HydrophobicContact CD2-CD2 3.64Å; F437-F617 HydrophobicContact CD2-CE2 4.07Å; F437-F617 HydrophobicContact CE1-CB 3.65Å; F437-F617 AromaticContact CE1-CD2 3.83Å; F437-F617 HydrophobicContact CE1-CD2 3.83Å; F437-F617 HydrophobicContact CE1-CG 4.09Å; F437-F617 AromaticContact CE2-CD2 3.94Å; F437-F617 HydrophobicContact CE2-CD2 3.94Å; F437-F617 AromaticContact CG-CD2 3.42Å; F437-F617 HydrophobicContact CG-CD2 3.42Å; F437-F617 VanDerWaalsContact CG-CD2 3.42Å; F437-F617 AromaticContact CG-CE2 3.8Å; F437-F617 HydrophobicContact CG-CE2 3.8Å; F437-F617 HydrophobicContact CG-CG 4.33Å; F437-F617 HydrophobicContact CZ-CB 4.02Å; F437-F617 HydrophobicContact CZ-CD2 4.01Å; F437-F617 HydrophobicContact CZ-CG 4.5Å; R613-F617 WeakPolarHBondContact O-CB 3.19Å; R613-F617 PolarHBondContact O-N 3.47Å; R613-F617 VanDerWaalsContact O-N 3.09Å; E614-F617 WeakPolarHBondContact O-CB 3.23Å; E614-F617 PolarHBondContact O-N 2.83Å; W615-F617 VanDerWaalsContact C-N 3.35Å; W615-F617 PolarHBondContact O-N 2.9Å; F617-S620 PolarHBondContact O-N 2.86Å; F617-S620 PolarHBondContact O-OG 3.19Å; F617-H621 AromaticContact CE2-CE1 3.65Å; F617-H621 AromaticContact CZ-CE1 3.88Å; F617-H621 PolarHBondContact O-ND1 2.89Å; F617-D675 HydrophobicContact CD2-CB 4.19Å; F617-D675 HydrophobicContact CE2-CB 4.19Å; F617-D675 WeakPolarHBondContact CE2-OD2 3.26Å |
| 618 | L | 90.9 | Very high | 86.7 | Confident | 35 Ų | 35 | 28.6 Ų | 28.6 | 18% | 0.183 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.8 | -47.2 | -176.7 | -65.7 | 176.6 | 0 | 0 | 0 | 111.7 | L576 F600 E614 W615 S620 H621 E622 | L576-L618 HydrophobicContact CD2-CB 3.43Å; L576-L618 VanDerWaalsContact CD2-CB 3.43Å; L576-L618 HydrophobicContact CD2-CD1 4.4Å; F600-L618 HydrophobicContact CZ-CD1 4.39Å; E614-L618 HydrophobicContact CG-CD1 3.74Å; E614-L618 HydrophobicContact CG-CG 4.12Å; E614-L618 WeakPolarHBondContact O-CG 3.27Å; E614-L618 PolarHBondContact O-N 2.79Å; W615-L618 PolarHBondContact O-N 2.77Å; L618-S620 PolarHBondContact O-N 3.34Å; L618-H621 WeakPolarHBondContact O-CB 3.37Å; L618-H621 PolarHBondContact O-N 2.95Å; L618-E622 PolarHBondContact O-N 3.16Å; L618-E622 VanDerWaalsContact O-N 3.16Å |
| 619 | L | 94.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.4 | -32.3 | 178.6 | -174.8 | 59 | 0 | 0 | 0 | 111.6 | F577 W615 H621 E622 V623 F659 F663 | F577-L619 HydrophobicContact CD2-CD1 3.97Å; W615-L619 HydrophobicContact CD2-CD2 4.33Å; W615-L619 HydrophobicContact CH2-CD2 3.87Å; W615-L619 HydrophobicContact CZ2-CD2 3.36Å; W615-L619 WeakPolarHBondContact O-CB 3.12Å; W615-L619 PolarHBondContact O-N 2.87Å; L619-H621 PolarHBondContact O-N 2.95Å; L619-H621 VanDerWaalsContact O-N 3.17Å; L619-E622 HydrophobicContact CD1-CB 4.13Å; L619-E622 HydrophobicContact CD1-CG 4.34Å; L619-E622 PolarHBondContact O-N 2.9Å; L619-E622 VanDerWaalsContact O-N 3.14Å; L619-V623 WeakPolarHBondContact O-CG1 3.5Å; L619-V623 PolarHBondContact O-N 3.14Å; L619-V623 VanDerWaalsContact O-N 3.16Å; L619-F659 HydrophobicContact CD1-CZ 4.2Å; L619-F659 HydrophobicContact CD2-CZ 4.03Å; L619-F663 HydrophobicContact CB-CE2 3.96Å; L619-F663 HydrophobicContact CB-CZ 4.07Å; L619-F663 HydrophobicContact CD2-CD2 3.56Å; L619-F663 HydrophobicContact CD2-CE2 3.52Å; L619-F663 HydrophobicContact CD2-CG 4.34Å; L619-F663 HydrophobicContact CD2-CZ 4.28Å; L619-F663 HydrophobicContact CG-CD2 4.18Å; L619-F663 HydrophobicContact CG-CE2 3.8Å; L619-F663 HydrophobicContact CG-CZ 4.05Å |
| 620 | S | 91.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.6 | -12.8 | 173.8 | 79.5 | 0 | 0 | 0 | 0 | 114.6 | F616 F617 L618 V623 D675 T676 | F616-S620 WeakPolarHBondContact O-CB 3.25Å; F616-S620 PolarHBondContact O-N 3.38Å; F616-S620 PolarHBondContact O-OG 3.25Å; F617-S620 PolarHBondContact O-N 2.86Å; F617-S620 PolarHBondContact O-OG 3.19Å; L618-S620 PolarHBondContact O-N 3.34Å; S620-V623 VanDerWaalsContact O-CG2 3.32Å; S620-V623 WeakPolarHBondContact O-CG2 3.18Å; S620-D675 PolarHBondContact OG-N 3.14Å; S620-T676 VanDerWaalsContact CB-OG1 3.27Å; S620-T676 WeakPolarHBondContact CB-OG1 3.46Å; S620-T676 VanDerWaalsContact O-CG2 3.3Å; S620-T676 WeakPolarHBondContact O-CG2 3.33Å; S620-T676 PolarHBondContact O-OG1 3.31Å |
| 621 | H | 87.9 | Confident | 90.1 | Very high | 30 Ų | 30 | 17 Ų | 17 | 14% | 0.139 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -96.6 | -36.2 | 168.4 | -69.2 | 93.3 | 0 | 0 | 0 | 112.5 | W423 L430 F617 L618 L619 V623 L624 D675 | W423-H621 WeakPolarHBondContact CZ2-O 3.46Å; W423-H621 PolarHBondContact NE1-O 3.01Å; L430-H621 HydrophobicContact CD1-CB 3.91Å; L430-H621 VanDerWaalsContact CD2-NE2 3.3Å; L430-H621 WeakPolarHBondContact CD2-NE2 3.32Å; F617-H621 AromaticContact CE2-CE1 3.65Å; F617-H621 AromaticContact CZ-CE1 3.88Å; F617-H621 PolarHBondContact O-ND1 2.89Å; L618-H621 WeakPolarHBondContact O-CB 3.37Å; L618-H621 PolarHBondContact O-N 2.95Å; L619-H621 PolarHBondContact O-N 2.95Å; L619-H621 VanDerWaalsContact O-N 3.17Å; H621-V623 VanDerWaalsContact C-N 3.28Å; H621-V623 PolarHBondContact O-N 3.45Å; H621-L624 WeakPolarHBondContact O-CB 3.4Å; H621-L624 PolarHBondContact O-N 2.96Å; H621-L624 VanDerWaalsContact O-N 3.08Å; H621-D675 VanDerWaalsContact CE1-CB 3.41Å; H621-D675 WeakPolarHBondContact CE1-CB 3.31Å; H621-D675 IonicContact CE1-OD2 3.3Å; H621-D675 IonicContact NE2-OD2 3.71Å |
| 622 | E | 90.6 | Very high | 90 | Very high | 12 Ų | 12 | 18.4 Ų | 18.4 | 6% | 0.056 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.4 | -38.8 | 176.3 | -61.7 | -66.6 | -170.8 | 0 | 0 | 113.2 | R427 L576 F577 L618 L619 L624 N625 | R427-E622 IonicContact CZ-OE1 3.88Å; R427-E622 IonicContact CZ-OE2 3.7Å; R427-E622 IonicContact NH1-OE1 2.75Å; R427-E622 PolarHBondContact NH1-OE1 3.24Å; R427-E622 VanDerWaalsContact NH1-OE1 3.13Å; R427-E622 IonicContact NH1-OE2 3.79Å; R427-E622 PolarHBondContact NH1-OE2 2.56Å; R427-E622 IonicContact NH2-OE1 2.87Å; R427-E622 PolarHBondContact NH2-OE1 3.11Å; R427-E622 IonicContact NH2-OE2 2.71Å; L576-E622 HydrophobicContact CB-CG 4.31Å; L576-E622 HydrophobicContact CD2-CG 3.93Å; L576-E622 HydrophobicContact CG-CG 4.16Å; F577-E622 HydrophobicContact CB-CB 4Å; F577-E622 HydrophobicContact CB-CG 4.32Å; F577-E622 HydrophobicContact CD2-CB 3.72Å; F577-E622 HydrophobicContact CG-CB 4.28Å; L618-E622 PolarHBondContact O-N 3.16Å; L618-E622 VanDerWaalsContact O-N 3.16Å; L619-E622 HydrophobicContact CD1-CB 4.13Å; L619-E622 HydrophobicContact CD1-CG 4.34Å; L619-E622 PolarHBondContact O-N 2.9Å; L619-E622 VanDerWaalsContact O-N 3.14Å; E622-L624 PolarHBondContact O-N 3.23Å; E622-N625 WeakPolarHBondContact O-CB 3.26Å; E622-N625 PolarHBondContact O-N 2.86Å |
| 623 | V | 90.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -19 | 177.3 | -64.7 | 0 | 0 | 0 | 0 | 113.2 | F577 L619 S620 H621 F631 I660 T676 | F577-V623 HydrophobicContact CE2-CB 4.46Å; F577-V623 HydrophobicContact CE2-CG1 3.97Å; L619-V623 WeakPolarHBondContact O-CG1 3.5Å; L619-V623 PolarHBondContact O-N 3.14Å; L619-V623 VanDerWaalsContact O-N 3.16Å; S620-V623 VanDerWaalsContact O-CG2 3.32Å; S620-V623 WeakPolarHBondContact O-CG2 3.18Å; H621-V623 VanDerWaalsContact C-N 3.28Å; H621-V623 PolarHBondContact O-N 3.45Å; V623-F631 HydrophobicContact CB-CE2 4.5Å; V623-F631 VanDerWaalsContact O-CD2 3.24Å; V623-F631 WeakPolarHBondContact O-CD2 3.36Å; V623-I660 HydrophobicContact CG1-CD1 4.41Å; V623-I660 HydrophobicContact CG1-CG1 3.94Å; V623-T676 HydrophobicContact CG2-CG2 4.08Å |
| 624 | L | 87.4 | Confident | 88.6 | Confident | 26 Ų | 26 | 19.6 Ų | 19.6 | 14% | 0.136 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 0.5 | 178.2 | -58.5 | -169.6 | 0 | 0 | 0 | 114.7 | H621 E622 P626 F631 L641 T676 | H621-L624 WeakPolarHBondContact O-CB 3.4Å; H621-L624 PolarHBondContact O-N 2.96Å; H621-L624 VanDerWaalsContact O-N 3.08Å; E622-L624 PolarHBondContact O-N 3.23Å; L624-P626 VanDerWaalsContact O-CD 3.29Å; L624-P626 WeakPolarHBondContact O-CD 3.36Å; L624-P626 VanDerWaalsContact O-N 3.08Å; L624-F631 HydrophobicContact CD2-CB 4.44Å; L624-F631 HydrophobicContact CD2-CD2 4.1Å; L624-F631 HydrophobicContact CD2-CG 4.36Å; L624-L641 HydrophobicContact CD1-CD1 3.64Å; L624-L641 HydrophobicContact CD1-CD2 4.32Å; L624-L641 HydrophobicContact CD2-CD1 3.75Å; L624-L641 HydrophobicContact CD2-CD2 3.74Å; L624-L641 HydrophobicContact CD2-CG 4.36Å; L624-L641 HydrophobicContact CG-CD1 4.34Å; L624-T676 HydrophobicContact CD1-CG2 3.56Å; L624-T676 HydrophobicContact CD2-CG2 3.54Å; L624-T676 HydrophobicContact CG-CG2 3.53Å |
| 625 | N | 89.1 | Confident | 87.4 | Confident | 14 Ų | 14 | 19.5 Ų | 19.5 | 8% | 0.075 | 11% | 0.107 | C | C | . | . | trans | -59.3 | 115.6 | 178.7 | 177.5 | -4 | 0 | 0 | 0 | 109.5 | F420 W423 E622 M627 Y628 | F420-N625 WeakPolarHBondContact CD2-OD1 3.24Å; F420-N625 WeakPolarHBondContact CE2-OD1 3.26Å; W423-N625 HydrophobicContact CH2-CB 3.65Å; W423-N625 HydrophobicContact CZ2-CB 3.63Å; W423-N625 HydrophobicContact CZ3-CB 4.12Å; E622-N625 WeakPolarHBondContact O-CB 3.26Å; E622-N625 PolarHBondContact O-N 2.86Å; N625-M627 PolarHBondContact O-N 2.77Å; N625-M627 WeakPolarHBondContact OD1-CB 3.4Å; N625-M627 PolarHBondContact OD1-N 2.81Å; N625-M627 VanDerWaalsContact OD1-N 3.1Å; N625-Y628 HydrophobicContact CB-CD2 3.74Å; N625-Y628 HydrophobicContact CB-CE2 3.92Å; N625-Y628 PolarHBondContact O-N 3.27Å; N625-Y628 VanDerWaalsContact O-N 3.1Å | ||
| 626 | P | 88.3 | Confident | 85.7 | Confident | 39 Ų | 39 | 28.9 Ų | 28.9 | 25% | 0.253 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -63.6 | -19.1 | -172.9 | 25.1 | -34.8 | 0 | 0 | 0 | 113 | F420 W423 L624 Y628 C629 | F420-P626 HydrophobicContact CB-CG 4.04Å; F420-P626 HydrophobicContact CD2-CG 4.18Å; W423-P626 HydrophobicContact CB-CG 4.5Å; L624-P626 VanDerWaalsContact O-CD 3.29Å; L624-P626 WeakPolarHBondContact O-CD 3.36Å; L624-P626 VanDerWaalsContact O-N 3.08Å; P626-Y628 PolarHBondContact O-N 3.34Å; P626-C629 WeakPolarHBondContact O-CA 3.19Å; P626-C629 PolarHBondContact O-N 3.46Å |
| 627 | M | 89.8 | Confident | 83.8 | Confident | 7 Ų | 7 | 30 Ų | 30 | 3% | 0.034 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -68.4 | -19.2 | 178 | -66.5 | -67.3 | 167.5 | 0 | 0 | 113.6 | W387 T406 T408 F420 N625 C629 | W387-M627 HydrophobicContact CH2-CE 3.97Å; W387-M627 HydrophobicContact CH2-SD 3.66Å; W387-M627 HydrophobicContact CZ2-CE 3.69Å; W387-M627 HydrophobicContact CZ2-SD 4.04Å; T406-M627 HydrophobicContact CG2-CB 3.93Å; T406-M627 HydrophobicContact CG2-CG 3.79Å; T408-M627 WeakPolarHBondContact CB-O 3.11Å; T408-M627 HydrophobicContact CG2-SD 3.64Å; T408-M627 PolarHBondContact OG1-O 2.82Å; F420-M627 HydrophobicContact CB-CE 3.51Å; F420-M627 HydrophobicContact CD1-CE 4.05Å; F420-M627 HydrophobicContact CD2-CE 4.27Å; F420-M627 HydrophobicContact CD2-CG 3.62Å; F420-M627 HydrophobicContact CE2-CG 3.9Å; F420-M627 HydrophobicContact CG-CE 3.7Å; F420-M627 HydrophobicContact CG-CG 4.04Å; N625-M627 PolarHBondContact O-N 2.77Å; N625-M627 WeakPolarHBondContact OD1-CB 3.4Å; N625-M627 PolarHBondContact OD1-N 2.81Å; N625-M627 VanDerWaalsContact OD1-N 3.1Å; M627-C629 VanDerWaalsContact C-N 3.31Å |
| 628 | Y | 91.9 | Very high | 82.3 | Confident | 34 Ų | 34 | 32.3 Ų | 32.3 | 13% | 0.133 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -80.6 | -11.5 | 169.7 | -63.7 | -53.7 | 0 | 0 | 0 | 114 | F577 E578 N625 P626 L630 N650 | F577-Y628 HydrophobicContact CB-CE2 4.04Å; F577-Y628 HydrophobicContact CD1-CD1 4.38Å; F577-Y628 AromaticContact CD1-CD2 3.93Å; F577-Y628 HydrophobicContact CD1-CD2 3.93Å; F577-Y628 AromaticContact CD1-CE1 3.8Å; F577-Y628 HydrophobicContact CD1-CE1 3.8Å; F577-Y628 AromaticContact CD1-CE2 3.29Å; F577-Y628 HydrophobicContact CD1-CE2 3.29Å; F577-Y628 HydrophobicContact CD1-CG 4.44Å; F577-Y628 AromaticContact CD1-CZ 3.2Å; F577-Y628 VanDerWaalsContact CD1-OH 3.28Å; F577-Y628 WeakPolarHBondContact CD1-OH 3.35Å; F577-Y628 HydrophobicContact CD2-CE2 4.17Å; F577-Y628 HydrophobicContact CE1-CD1 4.05Å; F577-Y628 AromaticContact CE1-CD2 3.73Å; F577-Y628 HydrophobicContact CE1-CD2 3.73Å; F577-Y628 AromaticContact CE1-CE1 3.93Å; F577-Y628 HydrophobicContact CE1-CE1 3.93Å; F577-Y628 AromaticContact CE1-CE2 3.61Å; F577-Y628 HydrophobicContact CE1-CE2 3.61Å; F577-Y628 AromaticContact CE1-CG 3.97Å; F577-Y628 HydrophobicContact CE1-CG 3.97Å; F577-Y628 AromaticContact CE1-CZ 3.7Å; F577-Y628 HydrophobicContact CE2-CD2 4.48Å; F577-Y628 HydrophobicContact CE2-CE2 4.46Å; F577-Y628 HydrophobicContact CG-CD2 4.35Å; F577-Y628 AromaticContact CG-CE2 3.58Å; F577-Y628 HydrophobicContact CG-CE2 3.58Å; F577-Y628 AromaticContact CG-CZ 3.83Å; F577-Y628 HydrophobicContact CZ-CD2 4.03Å; F577-Y628 HydrophobicContact CZ-CE2 4.19Å; F577-Y628 HydrophobicContact CZ-CG 4.42Å; E578-Y628 WeakPolarHBondContact OE1-CE1 3.25Å; E578-Y628 PolarHBondContact OE1-OH 3.15Å; N625-Y628 HydrophobicContact CB-CD2 3.74Å; N625-Y628 HydrophobicContact CB-CE2 3.92Å; N625-Y628 PolarHBondContact O-N 3.27Å; N625-Y628 VanDerWaalsContact O-N 3.1Å; P626-Y628 PolarHBondContact O-N 3.34Å; Y628-L630 PolarHBondContact O-N 3.27Å; Y628-L630 VanDerWaalsContact O-N 3.16Å; Y628-N650 PolarHBondContact O-ND2 3.48Å |
| 629 | C | 92.1 | Very high | 80.7 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | trans | 60.3 | 15.9 | 178.9 | -49.8 | 0 | 0 | 0 | 0 | 115.2 | Q410 P626 M627 N644 S647 I649 | Q410-C629 WeakPolarHBondContact CB-SG 3.44Å; Q410-C629 PolarHBondContact OE1-SG 2.97Å; P626-C629 WeakPolarHBondContact O-CA 3.19Å; P626-C629 PolarHBondContact O-N 3.46Å; M627-C629 VanDerWaalsContact C-N 3.31Å; C629-N644 WeakPolarHBondContact O-CB 3.39Å; C629-N644 PolarHBondContact O-ND2 3.17Å; C629-S647 VanDerWaalsContact O-CA 3.26Å; C629-S647 WeakPolarHBondContact O-CA 3.25Å; C629-S647 WeakPolarHBondContact O-CB 3.36Å; C629-I649 HydrophobicContact CB-CG2 3.79Å | ||
| 630 | L | 92.9 | Very high | 79.4 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -79.1 | -42.9 | -172.7 | -56 | 176.2 | 0 | 0 | 0 | 113.2 | F577 Y628 N644 H653 Y656 F657 I660 | F577-L630 HydrophobicContact CZ-CD1 4.12Å; Y628-L630 PolarHBondContact O-N 3.27Å; Y628-L630 VanDerWaalsContact O-N 3.16Å; L630-N644 WeakPolarHBondContact O-CB 3.5Å; L630-N644 PolarHBondContact O-N 2.8Å; L630-H653 HydrophobicContact CD2-CB 3.9Å; L630-Y656 HydrophobicContact CD1-CG 4.28Å; L630-F657 HydrophobicContact CB-CE1 4.19Å; L630-F657 HydrophobicContact CB-CZ 3.89Å; L630-F657 HydrophobicContact CD2-CD2 4.48Å; L630-F657 HydrophobicContact CD2-CE2 3.91Å; L630-F657 HydrophobicContact CD2-CZ 4.05Å; L630-F657 WeakPolarHBondContact O-CZ 3.29Å; L630-I660 HydrophobicContact CD1-CD1 3.69Å |
| 631 | F | 90.4 | Very high | 78.8 | Confident | 19 Ų | 19 | 35.4 Ų | 35.4 | 8% | 0.083 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 158.2 | 179.6 | -59.7 | -81.4 | 0 | 0 | 0 | 111.3 | V623 L624 L641 Q642 I643 F657 I660 F678 | V623-F631 HydrophobicContact CB-CE2 4.5Å; V623-F631 VanDerWaalsContact O-CD2 3.24Å; V623-F631 WeakPolarHBondContact O-CD2 3.36Å; L624-F631 HydrophobicContact CD2-CB 4.44Å; L624-F631 HydrophobicContact CD2-CD2 4.1Å; L624-F631 HydrophobicContact CD2-CG 4.36Å; F631-L641 HydrophobicContact CB-CD2 4.25Å; F631-Q642 WeakPolarHBondContact CA-O 3.46Å; F631-I643 HydrophobicContact CD1-CG1 4.36Å; F631-I643 HydrophobicContact CE1-CG1 4.06Å; F631-F657 HydrophobicContact CE1-CE1 4.3Å; F631-F657 HydrophobicContact CZ-CE1 4.18Å; F631-I660 HydrophobicContact CE2-CD1 3.89Å; F631-I660 HydrophobicContact CZ-CD1 4.26Å; F631-I660 HydrophobicContact CZ-CG2 4.43Å; F631-F678 HydrophobicContact CE1-CD1 4.42Å; F631-F678 AromaticContact CE1-CE1 3.79Å; F631-F678 HydrophobicContact CE1-CE1 3.79Å; F631-F678 AromaticContact CZ-CE1 3.85Å; F631-F678 HydrophobicContact CZ-CE1 3.85Å; F631-F678 HydrophobicContact CZ-CZ 4.45Å |
| 632 | E | 84.2 | Confident | 78.6 | Confident | 64 Ų | 64 | 35.5 Ų | 35.5 | 30% | 0.299 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 162.5 | 170.1 | 64.5 | -177.3 | -163.3 | 0 | 0 | 109.7 | Q642 N644 P645 | E632-Q642 HydrophobicContact CG-CG 3.67Å; E632-Q642 PolarHBondContact N-O 3.01Å; E632-Q642 PolarHBondContact O-N 3.13Å; E632-Q642 PolarHBondContact OE1-NE2 3Å; E632-N644 HydrophobicContact CB-CB 4.19Å; E632-N644 HydrophobicContact CG-CB 4.12Å; E632-N644 PolarHBondContact OE2-OD1 3.37Å; E632-P645 WeakPolarHBondContact OE1-CD 3.24Å |
| 633 | Y | 78.6 | Confident | 78.6 | Confident | 64 Ų | 64 | 35.4 Ų | 35.4 | 25% | 0.251 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 131.6 | 171.4 | -63.5 | -67.4 | 0 | 0 | 0 | 109.7 | G635 N638 C640 L641 | Y633-G635 PolarHBondContact O-N 3.42Å; Y633-G635 VanDerWaalsContact O-N 3.08Å; Y633-N638 VanDerWaalsContact CD1-C 3.47Å; Y633-N638 VanDerWaalsContact CD1-CA 3.48Å; Y633-N638 HydrophobicContact CD1-CB 4.41Å; Y633-N638 HydrophobicContact CD2-CB 4.21Å; Y633-N638 VanDerWaalsContact CE1-CA 3.43Å; Y633-N638 HydrophobicContact CE1-CB 3.96Å; Y633-N638 WeakPolarHBondContact CE1-O 3.39Å; Y633-N638 HydrophobicContact CE2-CB 3.75Å; Y633-C640 CarbonylContact C-O 3.58Å; Y633-C640 WeakPolarHBondContact CA-O 3.47Å; Y633-L641 HydrophobicContact CD1-CD2 3.63Å; Y633-L641 HydrophobicContact CD1-CG 3.93Å; Y633-L641 HydrophobicContact CE1-CD1 4.38Å; Y633-L641 HydrophobicContact CE1-CD2 3.38Å; Y633-L641 HydrophobicContact CE1-CG 3.73Å |
| 634 | A | 65.6 | Low | 78.6 | Confident | 18 Ų | 18 | 36.1 Ų | 36.1 | 15% | 0.149 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -66.9 | -10.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | C640 Q642 I699 | A634-C640 HydrophobicContact CB-CB 4.28Å; A634-C640 PolarHBondContact N-O 3.32Å; A634-Q642 HydrophobicContact CB-CG 4.22Å; A634-I699 HydrophobicContact CB-CB 4.4Å; A634-I699 HydrophobicContact CB-CG2 3.95Å; A634-I699 WeakPolarHBondContact CB-O 3.13Å |
| 635 | G | 63.6 | Low | 78.7 | Confident | 42 Ų | 42 | 36 Ų | 36 | 43% | 0.433 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -152.6 | -168.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y633 N637 | Y633-G635 PolarHBondContact O-N 3.42Å; Y633-G635 VanDerWaalsContact O-N 3.08Å; G635-N637 PolarHBondContact O-N 3.34Å |
| 636 | K | 56.7 | Low | 78.7 | Confident | 196 Ų | 196 | 36.1 Ų | 36.1 | 85% | 0.852 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -69.3 | 5.7 | -173.6 | -60.2 | -174.3 | 179.9 | -179.3 | 0 | 115.5 | ||
| 637 | N | 54.5 | Low | 78.9 | Confident | 25 Ų | 25 | 34.3 Ų | 34.3 | 13% | 0.134 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -130.4 | 137.8 | -171.1 | -75.9 | 3.7 | 0 | 0 | 0 | 111.6 | G635 Y639 G866 S867 G869 | G635-N637 PolarHBondContact O-N 3.34Å; N637-Y639 PolarHBondContact O-N 3.28Å; N637-G866 PolarHBondContact ND2-O 2.91Å; N637-S867 PolarHBondContact ND2-O 2.76Å; N637-G869 VanDerWaalsContact ND2-CA 3.28Å; N637-G869 WeakPolarHBondContact ND2-CA 3.09Å; N637-G869 PolarHBondContact ND2-N 3.43Å; N637-G869 PolarHBondContact ND2-O 3.21Å |
| 638 | N | 58.8 | Low | 79 | Confident | 50 Ų | 50 | 37.2 Ų | 37.2 | 27% | 0.267 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 46.1 | -168.4 | -57.2 | 12.1 | 0 | 0 | 0 | 114.1 | Q426 Y633 | Q426-N638 PolarHBondContact NE2-ND2 3.02Å; Y633-N638 VanDerWaalsContact CD1-C 3.47Å; Y633-N638 VanDerWaalsContact CD1-CA 3.48Å; Y633-N638 HydrophobicContact CD1-CB 4.41Å; Y633-N638 HydrophobicContact CD2-CB 4.21Å; Y633-N638 VanDerWaalsContact CE1-CA 3.43Å; Y633-N638 HydrophobicContact CE1-CB 3.96Å; Y633-N638 WeakPolarHBondContact CE1-O 3.39Å; Y633-N638 HydrophobicContact CE2-CB 3.75Å |
| 639 | Y | 57.3 | Low | 78.9 | Confident | 62 Ų | 62 | 37.8 Ų | 37.8 | 24% | 0.243 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.1 | -39.9 | -170 | -148.7 | -98.4 | 0 | 0 | 0 | 115.8 | N637 T853 R855 | N637-Y639 PolarHBondContact O-N 3.28Å; Y639-T853 HydrophobicContact CE1-CG2 3.69Å; Y639-R855 PolarHBondContact OH-O 3.43Å |
| 640 | C | 66.1 | Low | 78.9 | Confident | 31 Ų | 31 | 37.8 Ų | 37.8 | 21% | 0.209 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -96.9 | 110.5 | 176.3 | -169.8 | 0 | 0 | 0 | 0 | 109.3 | Y633 A634 S698 | Y633-C640 CarbonylContact C-O 3.58Å; Y633-C640 WeakPolarHBondContact CA-O 3.47Å; A634-C640 HydrophobicContact CB-CB 4.28Å; A634-C640 PolarHBondContact N-O 3.32Å; C640-S698 PolarHBondContact SG-O 3.19Å |
| 641 | L | 78.5 | Confident | 78.9 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 135.3 | -176 | -76.1 | 154.8 | 0 | 0 | 0 | 111.5 | L624 F631 Y633 T676 S679 | L624-L641 HydrophobicContact CD1-CD1 3.64Å; L624-L641 HydrophobicContact CD1-CD2 4.32Å; L624-L641 HydrophobicContact CD2-CD1 3.75Å; L624-L641 HydrophobicContact CD2-CD2 3.74Å; L624-L641 HydrophobicContact CD2-CG 4.36Å; L624-L641 HydrophobicContact CG-CD1 4.34Å; F631-L641 HydrophobicContact CB-CD2 4.25Å; Y633-L641 HydrophobicContact CD1-CD2 3.63Å; Y633-L641 HydrophobicContact CD1-CG 3.93Å; Y633-L641 HydrophobicContact CE1-CD1 4.38Å; Y633-L641 HydrophobicContact CE1-CD2 3.38Å; Y633-L641 HydrophobicContact CE1-CG 3.73Å; L641-T676 HydrophobicContact CD1-CG2 4.23Å; L641-S679 PolarHBondContact O-OG 3.47Å |
| 642 | Q | 84 | Confident | 79.1 | Confident | 31 Ų | 31 | 42.1 Ų | 42.1 | 15% | 0.145 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 157.3 | 170.9 | 68.4 | -176 | 10.5 | 0 | 0 | 110.4 | F631 E632 A634 N644 | F631-Q642 WeakPolarHBondContact CA-O 3.46Å; E632-Q642 HydrophobicContact CG-CG 3.67Å; E632-Q642 PolarHBondContact N-O 3.01Å; E632-Q642 PolarHBondContact O-N 3.13Å; E632-Q642 PolarHBondContact OE1-NE2 3Å; A634-Q642 HydrophobicContact CB-CG 4.22Å; Q642-N644 PolarHBondContact O-N 3.07Å |
| 643 | I | 91.1 | Very high | 79.6 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 6% | 0.056 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 133.7 | 168.7 | -67.9 | 177.1 | 0 | 0 | 0 | 108 | F631 P645 F657 F682 V769 Q772 | F631-I643 HydrophobicContact CD1-CG1 4.36Å; F631-I643 HydrophobicContact CE1-CG1 4.06Å; I643-P645 WeakPolarHBondContact O-CD 3.38Å; I643-F657 HydrophobicContact CD1-CE1 4.3Å; I643-F657 HydrophobicContact CG1-CE1 4.06Å; I643-F657 HydrophobicContact CG2-CE1 4.09Å; I643-F657 HydrophobicContact CG2-CZ 3.79Å; I643-F682 HydrophobicContact CD1-CE2 4.05Å; I643-F682 HydrophobicContact CG1-CE2 4.28Å; I643-V769 HydrophobicContact CB-CB 4.16Å; I643-V769 HydrophobicContact CB-CG1 3.94Å; I643-V769 HydrophobicContact CG2-CB 3.91Å; I643-V769 HydrophobicContact CG2-CG1 3.68Å; I643-Q772 HydrophobicContact CD1-CB 4.13Å; I643-Q772 HydrophobicContact CG2-CB 3.69Å; I643-Q772 HydrophobicContact CG2-CG 4Å |
| 644 | N | 90 | Very high | 80.6 | Confident | 16 Ų | 16 | 39.6 Ų | 39.6 | 9% | 0.086 | 22% | 0.22 | C | C | . | . | trans | -75.2 | 120.2 | 175.5 | 179.8 | -13.4 | 0 | 0 | 0 | 110 | C629 L630 E632 Q642 A646 S647 | C629-N644 WeakPolarHBondContact O-CB 3.39Å; C629-N644 PolarHBondContact O-ND2 3.17Å; L630-N644 WeakPolarHBondContact O-CB 3.5Å; L630-N644 PolarHBondContact O-N 2.8Å; E632-N644 HydrophobicContact CB-CB 4.19Å; E632-N644 HydrophobicContact CG-CB 4.12Å; E632-N644 PolarHBondContact OE2-OD1 3.37Å; Q642-N644 PolarHBondContact O-N 3.07Å; N644-A646 PolarHBondContact O-N 3.17Å; N644-A646 WeakPolarHBondContact OD1-CA 3.27Å; N644-A646 WeakPolarHBondContact OD1-CB 3.18Å; N644-A646 PolarHBondContact OD1-N 3.02Å; N644-S647 WeakPolarHBondContact O-CB 3.39Å; N644-S647 PolarHBondContact O-N 2.92Å; N644-S647 PolarHBondContact O-OG 3.25Å | ||
| 645 | P | 89.2 | Confident | 82.1 | Confident | 22 Ų | 22 | 41.2 Ų | 41.2 | 14% | 0.143 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -62.9 | -29.1 | 176.9 | -20.4 | 32.3 | 0 | 0 | 0 | 113.4 | E632 I643 S647 M728 G768 V769 | E632-P645 WeakPolarHBondContact OE1-CD 3.24Å; I643-P645 WeakPolarHBondContact O-CD 3.38Å; P645-S647 VanDerWaalsContact C-N 3.25Å; P645-S647 PolarHBondContact O-N 2.79Å; P645-M728 HydrophobicContact CB-CE 4.02Å; P645-M728 HydrophobicContact CG-CE 4.31Å; P645-G768 WeakPolarHBondContact CA-O 3.37Å; P645-V769 HydrophobicContact CB-CG1 4.24Å; P645-V769 HydrophobicContact CG-CG1 3.93Å |
| 646 | A | 88.8 | Confident | 83.7 | Confident | 18 Ų | 18 | 40.4 Ų | 40.4 | 15% | 0.149 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -83.5 | 7.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N644 T648 I649 L731 | N644-A646 PolarHBondContact O-N 3.17Å; N644-A646 WeakPolarHBondContact OD1-CA 3.27Å; N644-A646 WeakPolarHBondContact OD1-CB 3.18Å; N644-A646 PolarHBondContact OD1-N 3.02Å; A646-T648 PolarHBondContact O-N 3.18Å; A646-I649 WeakPolarHBondContact O-CB 3.17Å; A646-I649 WeakPolarHBondContact O-CG2 3.38Å; A646-I649 PolarHBondContact O-N 3.15Å; A646-L731 HydrophobicContact CB-CD2 3.94Å; A646-L731 HydrophobicContact CB-CG 4.06Å |
| 647 | S | 93.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -56 | -21.5 | 174 | 52.6 | 0 | 0 | 0 | 0 | 113.9 | C629 N644 P645 I649 N650 H653 Q772 | C629-S647 VanDerWaalsContact O-CA 3.26Å; C629-S647 WeakPolarHBondContact O-CA 3.25Å; C629-S647 WeakPolarHBondContact O-CB 3.36Å; N644-S647 WeakPolarHBondContact O-CB 3.39Å; N644-S647 PolarHBondContact O-N 2.92Å; N644-S647 PolarHBondContact O-OG 3.25Å; P645-S647 VanDerWaalsContact C-N 3.25Å; P645-S647 PolarHBondContact O-N 2.79Å; S647-I649 PolarHBondContact O-N 3.22Å; S647-I649 VanDerWaalsContact O-N 3.08Å; S647-N650 WeakPolarHBondContact O-CB 3.34Å; S647-N650 PolarHBondContact O-N 2.85Å; S647-H653 WeakPolarHBondContact O-CB 3.41Å; S647-H653 PolarHBondContact OG-ND1 2.82Å; S647-Q772 WeakPolarHBondContact OG-CG 3.28Å; S647-Q772 PolarHBondContact OG-NE2 2.94Å |
| 648 | T | 91.6 | Very high | 87.8 | Confident | 68 Ų | 68 | 30.9 Ų | 30.9 | 42% | 0.417 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -55.4 | -16.8 | 169.5 | 49.4 | 0 | 0 | 0 | 0 | 114.4 | A646 N650 H653 | A646-T648 PolarHBondContact O-N 3.18Å; T648-N650 PolarHBondContact O-N 3.42Å; T648-H653 VanDerWaalsContact CG2-CE1 3.5Å; T648-H653 WeakPolarHBondContact CG2-CE1 3.39Å |
| 649 | I | 89.5 | Confident | 89.7 | Confident | 47 Ų | 47 | 28.5 Ų | 28.5 | 24% | 0.241 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -64.4 | -28 | 170.3 | -159.4 | 158.9 | 0 | 0 | 0 | 112.4 | W409 Q410 C629 A646 S647 P651 L731 | W409-I649 VanDerWaalsContact CB-O 3.23Å; W409-I649 WeakPolarHBondContact CB-O 3.37Å; Q410-I649 HydrophobicContact CB-CD1 4Å; Q410-I649 HydrophobicContact CB-CG2 4.21Å; Q410-I649 HydrophobicContact CG-CD1 4.09Å; C629-I649 HydrophobicContact CB-CG2 3.79Å; A646-I649 WeakPolarHBondContact O-CB 3.17Å; A646-I649 WeakPolarHBondContact O-CG2 3.38Å; A646-I649 PolarHBondContact O-N 3.15Å; S647-I649 PolarHBondContact O-N 3.22Å; S647-I649 VanDerWaalsContact O-N 3.08Å; I649-P651 WeakPolarHBondContact O-CD 3.4Å; I649-L731 HydrophobicContact CB-CD1 4.48Å; I649-L731 HydrophobicContact CD1-CD1 4.41Å; I649-L731 HydrophobicContact CD1-CD2 4Å |
| 650 | N | 92.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -87.2 | 107.3 | 169 | 175.2 | -5.8 | 0 | 0 | 0 | 107.9 | W409 Y628 S647 T648 D652 H653 | W409-N650 HydrophobicContact CB-CB 4.46Å; W409-N650 HydrophobicContact CG-CB 4.34Å; W409-N650 PolarHBondContact NE1-OD1 2.68Å; Y628-N650 PolarHBondContact O-ND2 3.48Å; S647-N650 WeakPolarHBondContact O-CB 3.34Å; S647-N650 PolarHBondContact O-N 2.85Å; T648-N650 PolarHBondContact O-N 3.42Å; N650-D652 PolarHBondContact O-N 3.08Å; N650-D652 PolarHBondContact OD1-N 3.46Å; N650-H653 HydrophobicContact CB-CB 4.13Å; N650-H653 VanDerWaalsContact O-CB 3.23Å; N650-H653 WeakPolarHBondContact O-CB 3.39Å; N650-H653 PolarHBondContact O-CD2 3.36Å; N650-H653 PolarHBondContact O-N 2.9Å |
| 651 | P | 92.1 | Very high | 93.1 | Very high | 59 Ų | 59 | 24.1 Ų | 24.1 | 38% | 0.383 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.6 | -172.9 | 27.2 | -36.6 | 0 | 0 | 0 | 113.8 | W409 I649 | W409-P651 VanDerWaalsContact CD2-CD 3.45Å; W409-P651 HydrophobicContact CD2-CG 3.97Å; W409-P651 HydrophobicContact CE3-CG 4.14Å; W409-P651 HydrophobicContact CH2-CG 4.16Å; W409-P651 HydrophobicContact CZ2-CG 3.93Å; W409-P651 HydrophobicContact CZ3-CG 4.25Å; I649-P651 WeakPolarHBondContact O-CD 3.4Å |
| 652 | D | 94.2 | Very high | 94 | Very high | 52 Ų | 52 | 24.7 Ų | 24.7 | 28% | 0.278 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 12.4 | -179.3 | -60.2 | -71.2 | 0 | 0 | 0 | 111.4 | R396 N650 L654 S655 Y656 | R396-D652 IonicContact CZ-OD2 2.75Å; R396-D652 IonicContact NH1-OD1 3.8Å; R396-D652 IonicContact NH1-OD2 3.16Å; R396-D652 PolarHBondContact NH1-OD2 3.09Å; R396-D652 IonicContact NH2-OD2 2.71Å; N650-D652 PolarHBondContact O-N 3.08Å; N650-D652 PolarHBondContact OD1-N 3.46Å; D652-L654 PolarHBondContact O-N 2.79Å; D652-S655 VanDerWaalsContact O-CB 3.3Å; D652-S655 WeakPolarHBondContact O-CB 3.41Å; D652-S655 PolarHBondContact O-N 2.88Å; D652-S655 VanDerWaalsContact O-N 3.09Å; D652-Y656 HydrophobicContact CB-CE2 4.18Å; D652-Y656 WeakPolarHBondContact O-CD2 3.34Å; D652-Y656 PolarHBondContact O-N 2.62Å |
| 653 | H | 96.1 | Very high | 94.7 | Very high | 13 Ų | 13 | 23.2 Ų | 23.2 | 6% | 0.06 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.2 | -41 | -174.4 | 73.3 | 131.3 | 0 | 0 | 0 | 114.8 | L630 S647 T648 N650 S655 Y656 F657 | L630-H653 HydrophobicContact CD2-CB 3.9Å; S647-H653 WeakPolarHBondContact O-CB 3.41Å; S647-H653 PolarHBondContact OG-ND1 2.82Å; T648-H653 VanDerWaalsContact CG2-CE1 3.5Å; T648-H653 WeakPolarHBondContact CG2-CE1 3.39Å; N650-H653 HydrophobicContact CB-CB 4.13Å; N650-H653 VanDerWaalsContact O-CB 3.23Å; N650-H653 WeakPolarHBondContact O-CB 3.39Å; N650-H653 PolarHBondContact O-CD2 3.36Å; N650-H653 PolarHBondContact O-N 2.9Å; H653-S655 VanDerWaalsContact C-N 3.28Å; H653-S655 PolarHBondContact O-N 3.17Å; H653-Y656 CarbonylContact O-C 3.54Å; H653-Y656 WeakPolarHBondContact O-CB 3.18Å; H653-Y656 PolarHBondContact O-N 3.35Å; H653-Y656 VanDerWaalsContact O-N 3.1Å; H653-F657 HydrophobicContact CB-CD2 4.39Å; H653-F657 HydrophobicContact CB-CE2 4.13Å; H653-F657 AromaticContact ND1-CE2 3.86Å; H653-F657 WeakPolarHBondContact O-CD2 3.46Å; H653-F657 PolarHBondContact O-N 3.21Å |
| 654 | L | 97.9 | Very high | 94.9 | Very high | 62 Ų | 62 | 22.7 Ų | 22.7 | 33% | 0.325 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62.9 | -35.2 | 178.5 | -59.1 | -174.8 | 0 | 0 | 0 | 112.1 | D652 F657 C658 E771 Q772 A775 | D652-L654 PolarHBondContact O-N 2.79Å; L654-F657 PolarHBondContact O-N 3.26Å; L654-C658 PolarHBondContact O-N 2.79Å; L654-E771 HydrophobicContact CD1-CB 4.44Å; L654-E771 HydrophobicContact CD2-CB 3.94Å; L654-Q772 HydrophobicContact CD2-CG 4.2Å; L654-A775 HydrophobicContact CB-CB 4.16Å; L654-A775 HydrophobicContact CD2-CB 4.26Å |
| 655 | S | 97.9 | Very high | 95.2 | Very high | 52 Ų | 52 | 21.9 Ų | 21.9 | 36% | 0.364 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 173.4 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | D652 H653 C658 F659 | D652-S655 VanDerWaalsContact O-CB 3.3Å; D652-S655 WeakPolarHBondContact O-CB 3.41Å; D652-S655 PolarHBondContact O-N 2.88Å; D652-S655 VanDerWaalsContact O-N 3.09Å; H653-S655 VanDerWaalsContact C-N 3.28Å; H653-S655 PolarHBondContact O-N 3.17Å; S655-C658 PolarHBondContact O-N 3.37Å; S655-F659 WeakPolarHBondContact O-CB 3.34Å; S655-F659 PolarHBondContact O-N 2.83Å |
| 656 | Y | 97.9 | Very high | 95.6 | Very high | 24 Ų | 24 | 20.9 Ų | 20.9 | 9% | 0.094 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.9 | -39.2 | 173.7 | -70.3 | -67.8 | 0 | 0 | 0 | 112.5 | F577 E578 F581 L630 D652 H653 F659 I660 | F577-Y656 HydrophobicContact CD1-CE1 4.2Å; F577-Y656 AromaticContact CE1-CD1 3.49Å; F577-Y656 HydrophobicContact CE1-CD1 3.49Å; F577-Y656 VanDerWaalsContact CE1-CD1 3.49Å; F577-Y656 AromaticContact CE1-CE1 3.43Å; F577-Y656 HydrophobicContact CE1-CE1 3.43Å; F577-Y656 VanDerWaalsContact CE1-CE1 3.43Å; F577-Y656 HydrophobicContact CE1-CG 4.44Å; F577-Y656 AromaticContact CZ-CD1 3.78Å; F577-Y656 HydrophobicContact CZ-CD1 3.78Å; F577-Y656 HydrophobicContact CZ-CE1 4.21Å; E578-Y656 PolarHBondContact OE2-OH 3.06Å; F581-Y656 HydrophobicContact CB-CE1 4.29Å; F581-Y656 AromaticContact CD1-CE1 3.86Å; F581-Y656 HydrophobicContact CD1-CE1 3.86Å; F581-Y656 AromaticContact CD2-CD1 3.57Å; F581-Y656 HydrophobicContact CD2-CD1 3.57Å; F581-Y656 AromaticContact CD2-CE1 3.73Å; F581-Y656 HydrophobicContact CD2-CE1 3.73Å; F581-Y656 HydrophobicContact CE1-CE1 4.08Å; F581-Y656 AromaticContact CE2-CD1 3.74Å; F581-Y656 HydrophobicContact CE2-CD1 3.74Å; F581-Y656 AromaticContact CE2-CE1 3.96Å; F581-Y656 HydrophobicContact CE2-CE1 3.96Å; F581-Y656 HydrophobicContact CE2-CG 4.31Å; F581-Y656 HydrophobicContact CG-CD1 4.01Å; F581-Y656 AromaticContact CG-CE1 3.68Å; F581-Y656 HydrophobicContact CG-CE1 3.68Å; F581-Y656 HydrophobicContact CZ-CD1 4.31Å; F581-Y656 HydrophobicContact CZ-CE1 4.14Å; L630-Y656 HydrophobicContact CD1-CG 4.28Å; D652-Y656 HydrophobicContact CB-CE2 4.18Å; D652-Y656 WeakPolarHBondContact O-CD2 3.34Å; D652-Y656 PolarHBondContact O-N 2.62Å; H653-Y656 CarbonylContact O-C 3.54Å; H653-Y656 WeakPolarHBondContact O-CB 3.18Å; H653-Y656 PolarHBondContact O-N 3.35Å; H653-Y656 VanDerWaalsContact O-N 3.1Å; Y656-F659 WeakPolarHBondContact O-CB 3.4Å; Y656-F659 PolarHBondContact O-N 3.32Å; Y656-I660 WeakPolarHBondContact O-CD1 3.37Å; Y656-I660 WeakPolarHBondContact O-CG1 3.49Å; Y656-I660 PolarHBondContact O-N 3.02Å |
| 657 | F | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 20 Ų | 20 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.1 | -40.8 | 174.5 | -75.3 | -65.8 | 0 | 0 | 0 | 112.4 | L630 F631 I643 H653 L654 I660 G661 Q772 A775 F776 | L630-F657 HydrophobicContact CB-CE1 4.19Å; L630-F657 HydrophobicContact CB-CZ 3.89Å; L630-F657 HydrophobicContact CD2-CD2 4.48Å; L630-F657 HydrophobicContact CD2-CE2 3.91Å; L630-F657 HydrophobicContact CD2-CZ 4.05Å; L630-F657 WeakPolarHBondContact O-CZ 3.29Å; F631-F657 HydrophobicContact CE1-CE1 4.3Å; F631-F657 HydrophobicContact CZ-CE1 4.18Å; I643-F657 HydrophobicContact CD1-CE1 4.3Å; I643-F657 HydrophobicContact CG1-CE1 4.06Å; I643-F657 HydrophobicContact CG2-CE1 4.09Å; I643-F657 HydrophobicContact CG2-CZ 3.79Å; H653-F657 HydrophobicContact CB-CD2 4.39Å; H653-F657 HydrophobicContact CB-CE2 4.13Å; H653-F657 AromaticContact ND1-CE2 3.86Å; H653-F657 WeakPolarHBondContact O-CD2 3.46Å; H653-F657 PolarHBondContact O-N 3.21Å; L654-F657 PolarHBondContact O-N 3.26Å; F657-I660 PolarHBondContact O-N 2.98Å; F657-G661 PolarHBondContact O-N 3.27Å; F657-Q772 HydrophobicContact CD1-CB 4.38Å; F657-Q772 HydrophobicContact CD2-CB 3.61Å; F657-Q772 HydrophobicContact CD2-CG 3.71Å; F657-Q772 HydrophobicContact CE1-CB 4.34Å; F657-Q772 HydrophobicContact CE2-CB 3.58Å; F657-Q772 HydrophobicContact CE2-CG 3.36Å; F657-Q772 HydrophobicContact CG-CB 4.05Å; F657-Q772 HydrophobicContact CZ-CB 3.96Å; F657-Q772 HydrophobicContact CZ-CG 4Å; F657-A775 HydrophobicContact CB-CB 4.04Å; F657-F776 HydrophobicContact CB-CB 4.34Å; F657-F776 WeakPolarHBondContact O-CA 3.39Å |
| 658 | C | 98.4 | Very high | 95.8 | Very high | 21 Ų | 21 | 20 Ų | 20 | 14% | 0.142 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 173 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | M585 L654 S655 I660 G661 R662 A775 G779 | M585-C658 HydrophobicContact CE-CB 4.2Å; L654-C658 PolarHBondContact O-N 2.79Å; S655-C658 PolarHBondContact O-N 3.37Å; C658-I660 PolarHBondContact O-N 3.38Å; C658-G661 PolarHBondContact O-N 3.31Å; C658-R662 PolarHBondContact O-N 2.73Å; C658-A775 VanDerWaalsContact CA-O 3.28Å; C658-A775 WeakPolarHBondContact CA-O 3.49Å; C658-G779 VanDerWaalsContact SG-CA 3.58Å |
| 659 | F | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.9 | -45.7 | 171.6 | 161.1 | -116.1 | 0 | 0 | 0 | 112.7 | F577 F581 I584 M585 L619 S655 Y656 G661 R662 F663 | F577-F659 HydrophobicContact CD2-CE1 4.27Å; F577-F659 AromaticContact CE2-CE1 3.86Å; F577-F659 HydrophobicContact CE2-CE1 3.86Å; F577-F659 HydrophobicContact CZ-CD1 4.48Å; F577-F659 HydrophobicContact CZ-CE1 4.2Å; F581-F659 HydrophobicContact CB-CD1 4.22Å; F581-F659 HydrophobicContact CB-CE1 4.14Å; F581-F659 HydrophobicContact CB-CE2 4.48Å; F581-F659 HydrophobicContact CB-CG 4.41Å; F581-F659 HydrophobicContact CB-CZ 4.27Å; F581-F659 HydrophobicContact CD2-CB 3.65Å; F581-F659 AromaticContact CD2-CD1 3.86Å; F581-F659 HydrophobicContact CD2-CD1 3.86Å; F581-F659 HydrophobicContact CD2-CD2 4.35Å; F581-F659 AromaticContact CD2-CG 3.69Å; F581-F659 HydrophobicContact CD2-CG 3.69Å; F581-F659 HydrophobicContact CE2-CB 4.04Å; I584-F659 HydrophobicContact CB-CD2 3.88Å; I584-F659 HydrophobicContact CB-CE2 3.84Å; I584-F659 HydrophobicContact CG1-CE2 4Å; I584-F659 HydrophobicContact CG2-CD2 3.95Å; I584-F659 HydrophobicContact CG2-CE2 4.23Å; M585-F659 HydrophobicContact CG-CB 3.94Å; M585-F659 HydrophobicContact CG-CD2 4.47Å; M585-F659 HydrophobicContact SD-CB 3.72Å; L619-F659 HydrophobicContact CD1-CZ 4.2Å; L619-F659 HydrophobicContact CD2-CZ 4.03Å; S655-F659 WeakPolarHBondContact O-CB 3.34Å; S655-F659 PolarHBondContact O-N 2.83Å; Y656-F659 WeakPolarHBondContact O-CB 3.4Å; Y656-F659 PolarHBondContact O-N 3.32Å; F659-G661 VanDerWaalsContact C-N 3.35Å; F659-R662 PolarHBondContact O-N 2.93Å; F659-F663 WeakPolarHBondContact O-CB 3.24Å; F659-F663 PolarHBondContact O-N 3.43Å |
| 660 | I | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.6 | -40.4 | 177.9 | -64.2 | 158.6 | 0 | 0 | 0 | 110 | V623 L630 F631 Y656 F657 C658 R662 F663 I664 F776 | V623-I660 HydrophobicContact CG1-CD1 4.41Å; V623-I660 HydrophobicContact CG1-CG1 3.94Å; L630-I660 HydrophobicContact CD1-CD1 3.69Å; F631-I660 HydrophobicContact CE2-CD1 3.89Å; F631-I660 HydrophobicContact CZ-CD1 4.26Å; F631-I660 HydrophobicContact CZ-CG2 4.43Å; Y656-I660 WeakPolarHBondContact O-CD1 3.37Å; Y656-I660 WeakPolarHBondContact O-CG1 3.49Å; Y656-I660 PolarHBondContact O-N 3.02Å; F657-I660 PolarHBondContact O-N 2.98Å; C658-I660 PolarHBondContact O-N 3.38Å; I660-R662 PolarHBondContact O-N 3.13Å; I660-F663 WeakPolarHBondContact O-CB 3.16Å; I660-F663 PolarHBondContact O-N 2.9Å; I660-I664 HydrophobicContact CG2-CG1 4.12Å; I660-I664 VanDerWaalsContact O-CG1 3.27Å; I660-I664 WeakPolarHBondContact O-CG1 3.39Å; I660-I664 PolarHBondContact O-N 2.61Å; I660-F776 HydrophobicContact CB-CD2 4.42Å; I660-F776 HydrophobicContact CG2-CD2 4.09Å; I660-F776 HydrophobicContact CG2-CE2 3.98Å |
| 661 | G | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -53.7 | -52.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F657 C658 F659 F663 I664 A665 F776 F780 | F657-G661 PolarHBondContact O-N 3.27Å; C658-G661 PolarHBondContact O-N 3.31Å; F659-G661 VanDerWaalsContact C-N 3.35Å; G661-F663 VanDerWaalsContact C-N 3.35Å; G661-F663 PolarHBondContact O-N 2.92Å; G661-I664 PolarHBondContact O-N 3.29Å; G661-A665 WeakPolarHBondContact O-CB 3.4Å; G661-A665 PolarHBondContact O-N 3.44Å; G661-F776 WeakPolarHBondContact CA-O 3.41Å; G661-F780 WeakPolarHBondContact O-CA 3.48Å |
| 662 | R | 98.3 | Very high | 95.5 | Very high | 20 Ų | 20 | 18.2 Ų | 18.2 | 8% | 0.075 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.8 | -45.5 | 174.5 | -71.6 | -179.2 | 173.6 | -170.5 | 6.8 | 111.8 | I584 L587 L592 C658 F659 I660 A665 M666 G779 E782 V783 | I584-R662 HydrophobicContact CG2-CB 4.11Å; I584-R662 PolarHBondContact O-NH1 2.83Å; I584-R662 VanDerWaalsContact O-NH1 3.1Å; L587-R662 PolarHBondContact O-NH1 2.75Å; L592-R662 HydrophobicContact CD1-CB 4.25Å; L592-R662 HydrophobicContact CD1-CG 4.32Å; C658-R662 PolarHBondContact O-N 2.73Å; F659-R662 PolarHBondContact O-N 2.93Å; I660-R662 PolarHBondContact O-N 3.13Å; R662-A665 PolarHBondContact O-N 2.95Å; R662-M666 WeakPolarHBondContact O-CB 3.29Å; R662-M666 WeakPolarHBondContact O-CG 3.43Å; R662-M666 PolarHBondContact O-N 2.79Å; R662-G779 WeakPolarHBondContact CA-O 3.39Å; R662-G779 WeakPolarHBondContact CG-O 3.32Å; R662-G779 PolarHBondContact N-O 2.71Å; R662-E782 IonicContact CZ-OE2 3.95Å; R662-E782 IonicContact NE-OE2 3.3Å; R662-E782 PolarHBondContact NE-OE2 3.25Å; R662-E782 IonicContact NH2-OE1 2.74Å; R662-E782 IonicContact NH2-OE2 3.77Å; R662-E782 PolarHBondContact NH2-OE2 3.02Å; R662-V783 HydrophobicContact CB-CG2 4.18Å; R662-V783 HydrophobicContact CG-CG2 3.98Å |
| 663 | F | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.3 | -47.7 | 179.7 | 167.1 | -107.4 | 0 | 0 | 0 | 112.8 | W615 F616 L619 F659 I660 G661 M666 A667 I674 | W615-F663 HydrophobicContact CH2-CD2 4.02Å; W615-F663 HydrophobicContact CH2-CE2 4.39Å; W615-F663 HydrophobicContact CZ3-CD2 4.12Å; W615-F663 HydrophobicContact CZ3-CE2 4.17Å; F616-F663 AromaticContact CD1-CD2 3.96Å; F616-F663 HydrophobicContact CD1-CD2 3.96Å; F616-F663 AromaticContact CD1-CE2 3.29Å; F616-F663 HydrophobicContact CD1-CE2 3.29Å; F616-F663 AromaticContact CD1-CZ 3.85Å; F616-F663 HydrophobicContact CD1-CZ 3.85Å; F616-F663 AromaticContact CE1-CD2 3.88Å; F616-F663 HydrophobicContact CE1-CD2 3.88Å; F616-F663 AromaticContact CE1-CE2 3.72Å; F616-F663 HydrophobicContact CE1-CE2 3.72Å; F616-F663 HydrophobicContact CG-CE2 4.22Å; L619-F663 HydrophobicContact CB-CE2 3.96Å; L619-F663 HydrophobicContact CB-CZ 4.07Å; L619-F663 HydrophobicContact CD2-CD2 3.56Å; L619-F663 HydrophobicContact CD2-CE2 3.52Å; L619-F663 HydrophobicContact CD2-CG 4.34Å; L619-F663 HydrophobicContact CD2-CZ 4.28Å; L619-F663 HydrophobicContact CG-CD2 4.18Å; L619-F663 HydrophobicContact CG-CE2 3.8Å; L619-F663 HydrophobicContact CG-CZ 4.05Å; F659-F663 WeakPolarHBondContact O-CB 3.24Å; F659-F663 PolarHBondContact O-N 3.43Å; I660-F663 WeakPolarHBondContact O-CB 3.16Å; I660-F663 PolarHBondContact O-N 2.9Å; G661-F663 VanDerWaalsContact C-N 3.35Å; G661-F663 PolarHBondContact O-N 2.92Å; F663-M666 WeakPolarHBondContact O-CB 3.25Å; F663-M666 PolarHBondContact O-N 3.47Å; F663-A667 PolarHBondContact O-N 3.35Å; F663-I674 HydrophobicContact CE1-CG2 4.02Å; F663-I674 HydrophobicContact CZ-CG2 3.89Å |
| 664 | I | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.8 | -38.2 | 178.7 | -58.5 | -62.8 | 0 | 0 | 0 | 110.7 | I660 G661 A667 L668 I674 F678 F776 F780 L801 | I660-I664 HydrophobicContact CG2-CG1 4.12Å; I660-I664 VanDerWaalsContact O-CG1 3.27Å; I660-I664 WeakPolarHBondContact O-CG1 3.39Å; I660-I664 PolarHBondContact O-N 2.61Å; G661-I664 PolarHBondContact O-N 3.29Å; I664-A667 WeakPolarHBondContact O-CB 3.21Å; I664-A667 PolarHBondContact O-N 3.03Å; I664-L668 PolarHBondContact O-N 2.79Å; I664-I674 HydrophobicContact CD1-CD1 3.46Å; I664-I674 VanDerWaalsContact CD1-CD1 3.46Å; I664-F678 HydrophobicContact CD1-CE2 3.81Å; I664-F678 HydrophobicContact CD1-CZ 4.09Å; I664-F678 HydrophobicContact CG1-CE2 4.07Å; I664-F678 HydrophobicContact CG1-CZ 4.32Å; I664-F776 HydrophobicContact CB-CE2 4.38Å; I664-F776 HydrophobicContact CB-CZ 4.36Å; I664-F776 HydrophobicContact CG1-CE2 3.99Å; I664-F776 HydrophobicContact CG1-CZ 4.32Å; I664-F776 HydrophobicContact CG2-CZ 4.46Å; I664-F780 HydrophobicContact CB-CD2 4.4Å; I664-F780 HydrophobicContact CG2-CD2 4.35Å; I664-F780 HydrophobicContact CG2-CE2 4.08Å; I664-L801 HydrophobicContact CG2-CD1 3.88Å; I664-L801 HydrophobicContact CG2-CD2 3.73Å; I664-L801 HydrophobicContact CG2-CG 4.49Å |
| 665 | A | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.2 | -40.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G661 R662 A667 L668 F669 F780 V783 V784 | G661-A665 WeakPolarHBondContact O-CB 3.4Å; G661-A665 PolarHBondContact O-N 3.44Å; R662-A665 PolarHBondContact O-N 2.95Å; A665-A667 VanDerWaalsContact C-N 3.32Å; A665-A667 PolarHBondContact O-N 2.69Å; A665-L668 PolarHBondContact O-N 2.89Å; A665-F669 WeakPolarHBondContact O-CB 3.45Å; A665-F669 PolarHBondContact O-N 2.9Å; A665-F780 HydrophobicContact CB-CB 4.43Å; A665-F780 HydrophobicContact CB-CD1 4.3Å; A665-F780 HydrophobicContact CB-CD2 3.67Å; A665-F780 HydrophobicContact CB-CE1 4.44Å; A665-F780 HydrophobicContact CB-CE2 3.84Å; A665-F780 HydrophobicContact CB-CG 3.89Å; A665-F780 HydrophobicContact CB-CZ 4.22Å; A665-F780 WeakPolarHBondContact CB-O 3.32Å; A665-V783 HydrophobicContact CB-CB 3.73Å; A665-V783 HydrophobicContact CB-CG1 4.03Å; A665-V784 HydrophobicContact CB-CB 4.02Å; A665-V784 HydrophobicContact CB-CG2 3.98Å; A665-V784 VanDerWaalsContact O-CG2 3.28Å; A665-V784 WeakPolarHBondContact O-CG2 3.41Å |
| 666 | M | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.7 | -38.9 | 173.4 | -74 | 169.5 | 63 | 0 | 0 | 112 | I569 I584 L592 L596 W615 F616 R662 F663 F669 H670 V783 | I569-M666 HydrophobicContact CD1-CE 4.37Å; I584-M666 HydrophobicContact CD1-CE 3.73Å; I584-M666 HydrophobicContact CD1-SD 3.94Å; I584-M666 HydrophobicContact CG2-SD 4.1Å; L592-M666 HydrophobicContact CB-CG 4.04Å; L592-M666 HydrophobicContact CB-SD 4.08Å; L592-M666 HydrophobicContact CD1-SD 3.97Å; L592-M666 HydrophobicContact CD2-CE 4.36Å; L592-M666 HydrophobicContact CD2-SD 3.96Å; L592-M666 HydrophobicContact CG-SD 4.22Å; L596-M666 HydrophobicContact CD1-CE 3.59Å; L596-M666 HydrophobicContact CD2-CE 3.83Å; L596-M666 HydrophobicContact CG-CE 4.39Å; W615-M666 HydrophobicContact CH2-CE 3.97Å; W615-M666 HydrophobicContact CZ3-CE 4.09Å; F616-M666 HydrophobicContact CE1-CB 4.17Å; F616-M666 HydrophobicContact CZ-CB 3.92Å; R662-M666 WeakPolarHBondContact O-CB 3.29Å; R662-M666 WeakPolarHBondContact O-CG 3.43Å; R662-M666 PolarHBondContact O-N 2.79Å; F663-M666 WeakPolarHBondContact O-CB 3.25Å; F663-M666 PolarHBondContact O-N 3.47Å; M666-F669 PolarHBondContact O-N 2.56Å; M666-H670 WeakPolarHBondContact O-CB 3.48Å; M666-H670 PolarHBondContact O-CD2 3.08Å; M666-H670 VanDerWaalsContact O-CD2 3.27Å; M666-H670 PolarHBondContact O-N 2.99Å; M666-V783 HydrophobicContact CG-CG1 4.08Å |
| 667 | A | 94.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 10.4 Ų | 10.4 | 1% | 0.008 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -60.9 | -48.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | F616 F663 I664 A665 G671 K672 I674 L801 | F616-A667 HydrophobicContact CD1-CB 3.7Å; F616-A667 VanDerWaalsContact CE1-CA 3.42Å; F616-A667 HydrophobicContact CE1-CB 3.51Å; F616-A667 HydrophobicContact CZ-CB 4.32Å; F663-A667 PolarHBondContact O-N 3.35Å; I664-A667 WeakPolarHBondContact O-CB 3.21Å; I664-A667 PolarHBondContact O-N 3.03Å; A665-A667 VanDerWaalsContact C-N 3.32Å; A665-A667 PolarHBondContact O-N 2.69Å; A667-G671 PolarHBondContact O-N 3.04Å; A667-G671 VanDerWaalsContact O-N 3.1Å; A667-K672 CarbonylContact C-O 3.53Å; A667-K672 WeakPolarHBondContact CB-O 3.45Å; A667-K672 PolarHBondContact O-N 2.93Å; A667-K672 VanDerWaalsContact O-O 3.11Å; A667-I674 HydrophobicContact CB-CG2 3.95Å; A667-L801 HydrophobicContact CB-CD2 4.28Å |
| 668 | L | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60 | -50.1 | 173.9 | -76.6 | 167.4 | 0 | 0 | 0 | 112.2 | F554 R555 I664 A665 G671 F780 L797 M800 L801 | F554-L668 HydrophobicContact CE1-CB 4.25Å; F554-L668 HydrophobicContact CZ-CB 4.05Å; R555-L668 PolarHBondContact NH1-O 3.46Å; R555-L668 PolarHBondContact NH2-O 2.7Å; I664-L668 PolarHBondContact O-N 2.79Å; A665-L668 PolarHBondContact O-N 2.89Å; L668-G671 PolarHBondContact O-N 3.05Å; L668-F780 HydrophobicContact CD1-CE2 3.75Å; L668-F780 HydrophobicContact CD1-CZ 3.58Å; L668-L797 HydrophobicContact CD1-CD1 3.91Å; L668-L797 HydrophobicContact CD2-CD1 4.3Å; L668-M800 HydrophobicContact CD2-CB 3.64Å; L668-M800 HydrophobicContact CD2-CE 4.14Å; L668-L801 HydrophobicContact CD1-CD2 4.16Å; L668-L801 HydrophobicContact CD1-CG 4.37Å; L668-L801 HydrophobicContact CD2-CD2 4.01Å; L668-L801 HydrophobicContact CD2-CG 3.97Å; L668-L801 HydrophobicContact CG-CD2 3.65Å; L668-L801 HydrophobicContact CG-CG 4.07Å |
| 669 | F | 92.3 | Very high | 90.8 | Very high | 11 Ų | 11 | 10.4 Ų | 10.4 | 5% | 0.048 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.5 | -51.3 | -177.1 | -169.3 | -87.9 | 0 | 0 | 0 | 112.1 | R555 C558 N561 A562 R593 A665 M666 G671 V784 W788 | R555-F669 PolarHBondContact NH1-O 2.77Å; C558-F669 HydrophobicContact CB-CD2 3.96Å; C558-F669 HydrophobicContact CB-CE2 4.01Å; C558-F669 HydrophobicContact CB-CG 4.32Å; C558-F669 HydrophobicContact CB-CZ 4.38Å; C558-F669 WeakPolarHBondContact O-CZ 3.37Å; N561-F669 HydrophobicContact CB-CE2 4.3Å; N561-F669 HydrophobicContact CB-CZ 4.48Å; A562-F669 HydrophobicContact CB-CE1 4.34Å; A562-F669 HydrophobicContact CB-CZ 4.32Å; R593-F669 HydrophobicContact CB-CD1 4.46Å; R593-F669 HydrophobicContact CB-CE1 3.73Å; R593-F669 HydrophobicContact CB-CE2 4.24Å; R593-F669 HydrophobicContact CB-CZ 3.6Å; R593-F669 HydrophobicContact CG-CD2 4.33Å; R593-F669 HydrophobicContact CG-CE1 4.13Å; R593-F669 HydrophobicContact CG-CE2 3.88Å; R593-F669 HydrophobicContact CG-CZ 3.77Å; A665-F669 WeakPolarHBondContact O-CB 3.45Å; A665-F669 PolarHBondContact O-N 2.9Å; M666-F669 PolarHBondContact O-N 2.56Å; F669-G671 VanDerWaalsContact C-N 3.28Å; F669-G671 PolarHBondContact O-N 3.4Å; F669-V784 HydrophobicContact CB-CG2 3.85Å; F669-V784 HydrophobicContact CD2-CG2 4.08Å; F669-V784 HydrophobicContact CG-CG2 4.46Å; F669-W788 HydrophobicContact CD2-CZ3 4.39Å; F669-W788 HydrophobicContact CE2-CZ3 4.24Å |
| 670 | H | 89.7 | Confident | 90.2 | Very high | 49 Ų | 49 | 11.8 Ų | 11.8 | 23% | 0.227 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -81.6 | -0.6 | -176.9 | -68.6 | -69.1 | 0 | 0 | 0 | 114.4 | L592 R594 M666 K672 | L592-H670 PolarHBondContact O-NE2 2.91Å; R594-H670 PolarHBondContact O-CE1 2.73Å; M666-H670 WeakPolarHBondContact O-CB 3.48Å; M666-H670 PolarHBondContact O-CD2 3.08Å; M666-H670 VanDerWaalsContact O-CD2 3.27Å; M666-H670 PolarHBondContact O-N 2.99Å; H670-K672 HydrophobicContact CB-CG 4.12Å |
| 671 | G | 87.9 | Confident | 89.8 | Confident | 31 Ų | 31 | 11.9 Ų | 11.9 | 32% | 0.32 | 7% | 0.065 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 43.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A667 L668 F669 | A667-G671 PolarHBondContact O-N 3.04Å; A667-G671 VanDerWaalsContact O-N 3.1Å; L668-G671 PolarHBondContact O-N 3.05Å; F669-G671 VanDerWaalsContact C-N 3.28Å; F669-G671 PolarHBondContact O-N 3.4Å |
| 672 | K | 89.4 | Confident | 89.4 | Confident | 46 Ų | 46 | 13 Ų | 13 | 20% | 0.2 | 7% | 0.07 | C | C | . | . | trans | -112 | 137.2 | 177.2 | -59.2 | -65.1 | -179.6 | 177.2 | 0 | 108.9 | G609 F616 A667 H670 | G609-K672 PolarHBondContact O-NZ 3.43Å; F616-K672 HydrophobicContact CB-CB 4.32Å; F616-K672 HydrophobicContact CD1-CB 4.44Å; F616-K672 HydrophobicContact CD2-CB 3.35Å; F616-K672 HydrophobicContact CD2-CD 4.49Å; F616-K672 HydrophobicContact CD2-CG 3.56Å; F616-K672 HydrophobicContact CE2-CB 3.68Å; F616-K672 HydrophobicContact CE2-CG 3.59Å; F616-K672 HydrophobicContact CG-CB 3.8Å; F616-K672 HydrophobicContact CG-CG 4.48Å; F616-K672 HydrophobicContact CZ-CB 4.35Å; A667-K672 CarbonylContact C-O 3.53Å; A667-K672 WeakPolarHBondContact CB-O 3.45Å; A667-K672 PolarHBondContact O-N 2.93Å; A667-K672 VanDerWaalsContact O-O 3.11Å; H670-K672 HydrophobicContact CB-CG 4.12Å | ||
| 673 | F | 91 | Very high | 89.1 | Confident | 19 Ų | 19 | 12 Ų | 12 | 8% | 0.083 | 7% | 0.066 | C | C | . | . | trans | -80.9 | 159.8 | 176 | -53.4 | -49.7 | 0 | 0 | 0 | 111.4 | F437 R440 L442 F616 L801 G803 | F437-F673 HydrophobicContact CE2-CB 3.81Å; F437-F673 HydrophobicContact CZ-CB 3.68Å; F437-F673 WeakPolarHBondContact CZ-O 3.38Å; R440-F673 HydrophobicContact CB-CD2 4.16Å; R440-F673 HydrophobicContact CB-CE2 4.34Å; R440-F673 WeakPolarHBondContact O-CE2 3.35Å; L442-F673 HydrophobicContact CB-CZ 4.26Å; L442-F673 HydrophobicContact CD1-CE1 3.64Å; L442-F673 HydrophobicContact CD1-CZ 4.1Å; L442-F673 HydrophobicContact CG-CE1 3.72Å; L442-F673 HydrophobicContact CG-CZ 3.76Å; F616-F673 WeakPolarHBondContact CB-O 3.47Å; F673-L801 CarbonylContact C-O 3.48Å; F673-L801 WeakPolarHBondContact CA-O 3.43Å; F673-L801 WeakPolarHBondContact CB-O 3.48Å; F673-G803 VanDerWaalsContact CE1-CA 3.46Å | ||
| 674 | I | 90.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -120.9 | 161.9 | 166.2 | 57.6 | 172.5 | 0 | 0 | 0 | 108.6 | F616 F663 I664 A667 T676 L801 | F616-I674 HydrophobicContact CD1-CG2 4.3Å; F663-I674 HydrophobicContact CE1-CG2 4.02Å; F663-I674 HydrophobicContact CZ-CG2 3.89Å; I664-I674 HydrophobicContact CD1-CD1 3.46Å; I664-I674 VanDerWaalsContact CD1-CD1 3.46Å; A667-I674 HydrophobicContact CB-CG2 3.95Å; I674-T676 VanDerWaalsContact CD1-O 3.27Å; I674-T676 WeakPolarHBondContact CD1-O 3.33Å; I674-L801 HydrophobicContact CD1-CB 4.13Å; I674-L801 HydrophobicContact CD1-CD1 4.49Å; I674-L801 HydrophobicContact CD1-CD2 3.9Å; I674-L801 HydrophobicContact CD1-CG 4.41Å; I674-L801 HydrophobicContact CG1-CB 4.04Å; I674-L801 HydrophobicContact CG1-CD2 4.23Å; I674-L801 PolarHBondContact N-O 3.16Å | ||
| 675 | D | 83.7 | Confident | 88.6 | Confident | 18 Ų | 18 | 18.2 Ų | 18.2 | 10% | 0.096 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -104.1 | -9.4 | 173.8 | -140.3 | 2.3 | 0 | 0 | 0 | 113.5 | F437 R440 F617 S620 H621 G677 R855 | F437-D675 HydrophobicContact CD2-CB 4.28Å; F437-D675 HydrophobicContact CE2-CB 4.29Å; R440-D675 IonicContact CZ-OD1 3.64Å; R440-D675 IonicContact NH1-OD1 3.64Å; R440-D675 PolarHBondContact NH1-OD1 3.16Å; R440-D675 IonicContact NH2-OD1 2.71Å; R440-D675 PolarHBondContact NH2-OD1 3.14Å; R440-D675 IonicContact NH2-OD2 2.7Å; F617-D675 HydrophobicContact CD2-CB 4.19Å; F617-D675 HydrophobicContact CE2-CB 4.19Å; F617-D675 WeakPolarHBondContact CE2-OD2 3.26Å; S620-D675 PolarHBondContact OG-N 3.14Å; H621-D675 VanDerWaalsContact CE1-CB 3.41Å; H621-D675 WeakPolarHBondContact CE1-CB 3.31Å; H621-D675 IonicContact CE1-OD2 3.3Å; H621-D675 IonicContact NE2-OD2 3.71Å; D675-G677 PolarHBondContact O-N 2.94Å; D675-G677 VanDerWaalsContact O-N 3.13Å; D675-R855 PolarHBondContact O-NH1 3.08Å |
| 676 | T | 76 | Confident | 88.3 | Confident | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.012 | 9% | 0.091 | C | C | . | . | trans | -68.7 | 102.5 | 162.9 | 3.8 | 0 | 0 | 0 | 0 | 110.4 | S620 V623 L624 L641 I674 | S620-T676 VanDerWaalsContact CB-OG1 3.27Å; S620-T676 WeakPolarHBondContact CB-OG1 3.46Å; S620-T676 VanDerWaalsContact O-CG2 3.3Å; S620-T676 WeakPolarHBondContact O-CG2 3.33Å; S620-T676 PolarHBondContact O-OG1 3.31Å; V623-T676 HydrophobicContact CG2-CG2 4.08Å; L624-T676 HydrophobicContact CD1-CG2 3.56Å; L624-T676 HydrophobicContact CD2-CG2 3.54Å; L624-T676 HydrophobicContact CG-CG2 3.53Å; L641-T676 HydrophobicContact CD1-CG2 4.23Å; I674-T676 VanDerWaalsContact CD1-O 3.27Å; I674-T676 WeakPolarHBondContact CD1-O 3.33Å | ||
| 677 | G | 70.5 | Confident | 88 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | P | Polyproline II helix | trans | -85.3 | 119 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | D675 R855 | D675-G677 PolarHBondContact O-N 2.94Å; D675-G677 VanDerWaalsContact O-N 3.13Å; G677-R855 VanDerWaalsContact N-CZ 3.33Å; G677-R855 VanDerWaalsContact N-NH1 3.19Å; G677-R855 PolarHBondContact O-NH2 3.42Å |
| 678 | F | 83.9 | Confident | 87.8 | Confident | 9 Ų | 9 | 24.2 Ų | 24.2 | 4% | 0.039 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 168 | 165 | -58.4 | -71.6 | 0 | 0 | 0 | 109.8 | F631 I664 F682 Y683 | F631-F678 HydrophobicContact CE1-CD1 4.42Å; F631-F678 AromaticContact CE1-CE1 3.79Å; F631-F678 HydrophobicContact CE1-CE1 3.79Å; F631-F678 AromaticContact CZ-CE1 3.85Å; F631-F678 HydrophobicContact CZ-CE1 3.85Å; F631-F678 HydrophobicContact CZ-CZ 4.45Å; I664-F678 HydrophobicContact CD1-CE2 3.81Å; I664-F678 HydrophobicContact CD1-CZ 4.09Å; I664-F678 HydrophobicContact CG1-CE2 4.07Å; I664-F678 HydrophobicContact CG1-CZ 4.32Å; F678-F682 HydrophobicContact CB-CB 3.96Å; F678-F682 HydrophobicContact CB-CD1 3.49Å; F678-F682 VanDerWaalsContact CB-CD1 3.49Å; F678-F682 HydrophobicContact CB-CE1 4.21Å; F678-F682 HydrophobicContact CB-CG 3.92Å; F678-F682 HydrophobicContact CD1-CD1 4.13Å; F678-F682 HydrophobicContact CD1-CE1 4.1Å; F678-F682 AromaticContact CD2-CD1 3.73Å; F678-F682 HydrophobicContact CD2-CD1 3.73Å; F678-F682 AromaticContact CD2-CE1 3.62Å; F678-F682 HydrophobicContact CD2-CE1 3.62Å; F678-F682 HydrophobicContact CE1-CE1 4.39Å; F678-F682 HydrophobicContact CE2-CD1 4.5Å; F678-F682 AromaticContact CE2-CE1 3.94Å; F678-F682 HydrophobicContact CE2-CE1 3.94Å; F678-F682 AromaticContact CG-CD1 3.52Å; F678-F682 HydrophobicContact CG-CD1 3.52Å; F678-F682 AromaticContact CG-CE1 3.71Å; F678-F682 HydrophobicContact CG-CE1 3.71Å; F678-F682 HydrophobicContact CG-CG 4.21Å; F678-F682 HydrophobicContact CZ-CE1 4.31Å; F678-Y683 HydrophobicContact CB-CE1 4.22Å; F678-Y683 HydrophobicContact CB-CE2 4.04Å; F678-Y683 AromaticContact CD2-CE1 3.81Å; F678-Y683 HydrophobicContact CD2-CE1 3.81Å; F678-Y683 AromaticContact CD2-CZ 3.89Å; F678-Y683 PolarHBondContact N-OH 3.23Å; F678-Y683 VanDerWaalsContact O-CE2 3.32Å; F678-Y683 WeakPolarHBondContact O-CE2 3.47Å |
| 679 | S | 84.9 | Confident | 87.6 | Confident | 13 Ų | 13 | 26.2 Ų | 26.2 | 9% | 0.091 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 146.3 | 173.2 | 58.7 | 0 | 0 | 0 | 0 | 111.2 | L641 P681 F682 Y683 | L641-S679 PolarHBondContact O-OG 3.47Å; S679-P681 VanDerWaalsContact C-N 3.26Å; S679-F682 WeakPolarHBondContact O-CA 3.27Å; S679-F682 VanDerWaalsContact O-CB 3.25Å; S679-F682 WeakPolarHBondContact O-CB 3.32Å; S679-F682 PolarHBondContact O-N 2.94Å; S679-Y683 PolarHBondContact O-N 2.9Å |
| 680 | L | 86.8 | Confident | 87.5 | Confident | 28 Ų | 28 | 34.2 Ų | 34.2 | 15% | 0.147 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -51.2 | -38.1 | 177 | -66.2 | 174.9 | 0 | 0 | 0 | 113.6 | F682 Y683 K684 K795 E798 G852 | L680-F682 VanDerWaalsContact C-N 3.27Å; L680-F682 PolarHBondContact O-N 3.38Å; L680-Y683 HydrophobicContact CD2-CD2 4.41Å; L680-Y683 PolarHBondContact O-N 3.1Å; L680-Y683 VanDerWaalsContact O-N 3.13Å; L680-K684 WeakPolarHBondContact O-CG 3.24Å; L680-K684 PolarHBondContact O-N 3.46Å; L680-K795 HydrophobicContact CD1-CG 4.5Å; L680-K795 HydrophobicContact CD2-CG 4.27Å; L680-E798 HydrophobicContact CD2-CB 4.45Å; L680-G852 WeakPolarHBondContact CG-O 3.32Å |
| 681 | P | 89.1 | Confident | 87.5 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.019 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.5 | -26.4 | 175.6 | -25.3 | 39.4 | 0 | 0 | 0 | 114.1 | S679 K684 R685 L691 D695 I699 F765 | S679-P681 VanDerWaalsContact C-N 3.26Å; P681-K684 PolarHBondContact O-N 2.87Å; P681-R685 PolarHBondContact O-N 2.78Å; P681-L691 HydrophobicContact CB-CD2 4.15Å; P681-L691 WeakPolarHBondContact O-CD2 3.3Å; P681-D695 HydrophobicContact CB-CB 4.23Å; P681-D695 HydrophobicContact CG-CB 3.79Å; P681-I699 HydrophobicContact CB-CD1 3.83Å; P681-I699 HydrophobicContact CG-CD1 3.68Å; P681-F765 HydrophobicContact CB-CD1 4.5Å; P681-F765 HydrophobicContact CB-CE1 3.57Å; P681-F765 HydrophobicContact CB-CZ 4.09Å; P681-F765 HydrophobicContact CG-CE1 4.23Å; P681-F765 HydrophobicContact CG-CZ 4.43Å |
| 682 | F | 89.4 | Confident | 87.6 | Confident | 22 Ų | 22 | 34.9 Ų | 34.9 | 10% | 0.096 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67 | -45.3 | 170.4 | -175.9 | -94.1 | 0 | 0 | 0 | 111.2 | I643 F678 S679 L680 K684 R685 M686 F776 | I643-F682 HydrophobicContact CD1-CE2 4.05Å; I643-F682 HydrophobicContact CG1-CE2 4.28Å; F678-F682 HydrophobicContact CB-CB 3.96Å; F678-F682 HydrophobicContact CB-CD1 3.49Å; F678-F682 VanDerWaalsContact CB-CD1 3.49Å; F678-F682 HydrophobicContact CB-CE1 4.21Å; F678-F682 HydrophobicContact CB-CG 3.92Å; F678-F682 HydrophobicContact CD1-CD1 4.13Å; F678-F682 HydrophobicContact CD1-CE1 4.1Å; F678-F682 AromaticContact CD2-CD1 3.73Å; F678-F682 HydrophobicContact CD2-CD1 3.73Å; F678-F682 AromaticContact CD2-CE1 3.62Å; F678-F682 HydrophobicContact CD2-CE1 3.62Å; F678-F682 HydrophobicContact CE1-CE1 4.39Å; F678-F682 HydrophobicContact CE2-CD1 4.5Å; F678-F682 AromaticContact CE2-CE1 3.94Å; F678-F682 HydrophobicContact CE2-CE1 3.94Å; F678-F682 AromaticContact CG-CD1 3.52Å; F678-F682 HydrophobicContact CG-CD1 3.52Å; F678-F682 AromaticContact CG-CE1 3.71Å; F678-F682 HydrophobicContact CG-CE1 3.71Å; F678-F682 HydrophobicContact CG-CG 4.21Å; F678-F682 HydrophobicContact CZ-CE1 4.31Å; S679-F682 WeakPolarHBondContact O-CA 3.27Å; S679-F682 VanDerWaalsContact O-CB 3.25Å; S679-F682 WeakPolarHBondContact O-CB 3.32Å; S679-F682 PolarHBondContact O-N 2.94Å; L680-F682 VanDerWaalsContact C-N 3.27Å; L680-F682 PolarHBondContact O-N 3.38Å; F682-K684 VanDerWaalsContact C-N 3.33Å; F682-K684 PolarHBondContact O-N 3.38Å; F682-R685 WeakPolarHBondContact O-CB 3.49Å; F682-R685 PolarHBondContact O-N 2.95Å; F682-R685 VanDerWaalsContact O-N 3.09Å; F682-M686 HydrophobicContact CD1-CG 4.33Å; F682-M686 HydrophobicContact CD1-SD 3.95Å; F682-M686 HydrophobicContact CE1-CG 4.13Å; F682-M686 HydrophobicContact CE1-SD 3.63Å; F682-M686 WeakPolarHBondContact O-CG 3.09Å; F682-M686 PolarHBondContact O-N 3.46Å; F682-F776 AromaticContact CE1-CE1 3.82Å; F682-F776 HydrophobicContact CE1-CE1 3.82Å; F682-F776 HydrophobicContact CE1-CE2 4.35Å; F682-F776 AromaticContact CE1-CZ 3.7Å; F682-F776 HydrophobicContact CE1-CZ 3.7Å; F682-F776 AromaticContact CZ-CD1 3.85Å; F682-F776 HydrophobicContact CZ-CD1 3.85Å; F682-F776 HydrophobicContact CZ-CD2 4.27Å; F682-F776 AromaticContact CZ-CE1 3.57Å; F682-F776 HydrophobicContact CZ-CE1 3.57Å; F682-F776 AromaticContact CZ-CE2 3.99Å; F682-F776 HydrophobicContact CZ-CE2 3.99Å; F682-F776 HydrophobicContact CZ-CG 4.2Å; F682-F776 AromaticContact CZ-CZ 3.64Å; F682-F776 HydrophobicContact CZ-CZ 3.64Å |
| 683 | Y | 90.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.5 | -37 | 174.3 | -63.4 | -55.4 | 0 | 0 | 0 | 112.4 | F678 S679 L680 R685 M686 L687 L797 E798 L801 | F678-Y683 HydrophobicContact CB-CE1 4.22Å; F678-Y683 HydrophobicContact CB-CE2 4.04Å; F678-Y683 AromaticContact CD2-CE1 3.81Å; F678-Y683 HydrophobicContact CD2-CE1 3.81Å; F678-Y683 AromaticContact CD2-CZ 3.89Å; F678-Y683 PolarHBondContact N-OH 3.23Å; F678-Y683 VanDerWaalsContact O-CE2 3.32Å; F678-Y683 WeakPolarHBondContact O-CE2 3.47Å; S679-Y683 PolarHBondContact O-N 2.9Å; L680-Y683 HydrophobicContact CD2-CD2 4.41Å; L680-Y683 PolarHBondContact O-N 3.1Å; L680-Y683 VanDerWaalsContact O-N 3.13Å; Y683-R685 VanDerWaalsContact C-N 3.33Å; Y683-R685 PolarHBondContact O-N 3.1Å; Y683-M686 HydrophobicContact CD1-SD 3.9Å; Y683-M686 HydrophobicContact CE1-SD 4.4Å; Y683-M686 WeakPolarHBondContact O-CB 3.34Å; Y683-M686 PolarHBondContact O-N 2.91Å; Y683-L687 WeakPolarHBondContact O-CG 3.48Å; Y683-L687 PolarHBondContact O-N 2.97Å; Y683-L797 HydrophobicContact CD1-CD2 3.86Å; Y683-L797 HydrophobicContact CD1-CG 3.92Å; Y683-L797 HydrophobicContact CG-CD2 4.4Å; Y683-L797 HydrophobicContact CG-CG 4.48Å; Y683-E798 HydrophobicContact CD2-CB 4.02Å; Y683-E798 HydrophobicContact CD2-CG 4.46Å; Y683-E798 HydrophobicContact CE2-CB 3.75Å; Y683-E798 HydrophobicContact CE2-CG 3.77Å; Y683-L801 HydrophobicContact CD1-CD1 4.35Å; Y683-L801 HydrophobicContact CE1-CD1 3.48Å; Y683-L801 VanDerWaalsContact CE1-CD1 3.48Å |
| 684 | K | 91.9 | Very high | 87.4 | Confident | 12 Ų | 12 | 37.5 Ų | 37.5 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.6 | -42.6 | 170.1 | -67.7 | 177.1 | 81.7 | 156.2 | 0 | 111.9 | L680 P681 F682 M686 L687 S688 K689 L691 D695 E794 | L680-K684 WeakPolarHBondContact O-CG 3.24Å; L680-K684 PolarHBondContact O-N 3.46Å; P681-K684 PolarHBondContact O-N 2.87Å; F682-K684 VanDerWaalsContact C-N 3.33Å; F682-K684 PolarHBondContact O-N 3.38Å; K684-M686 VanDerWaalsContact C-N 3.34Å; K684-M686 PolarHBondContact O-N 3.27Å; K684-L687 CarbonylContact O-C 3.59Å; K684-L687 PolarHBondContact O-N 2.87Å; K684-S688 PolarHBondContact O-N 3.34Å; K684-S688 VanDerWaalsContact O-N 3.17Å; K684-K689 HydrophobicContact CB-CB 4.1Å; K684-K689 PolarHBondContact O-N 2.71Å; K684-L691 HydrophobicContact CB-CD2 3.53Å; K684-L691 HydrophobicContact CD-CD2 4.24Å; K684-L691 HydrophobicContact CG-CD2 4.49Å; K684-D695 VanDerWaalsContact CD-OD1 3.24Å; K684-D695 WeakPolarHBondContact CD-OD1 3.4Å; K684-D695 IonicContact NZ-OD1 2.81Å; K684-D695 PolarHBondContact NZ-OD1 3.48Å; K684-D695 IonicContact NZ-OD2 3.66Å; K684-D695 PolarHBondContact NZ-OD2 3.48Å; K684-E794 HydrophobicContact CD-CG 4.04Å; K684-E794 WeakPolarHBondContact CD-OE1 3.21Å; K684-E794 WeakPolarHBondContact CE-OE1 3.05Å; K684-E794 HydrophobicContact CG-CB 3.53Å; K684-E794 VanDerWaalsContact CG-CD 3.41Å; K684-E794 HydrophobicContact CG-CG 3.56Å; K684-E794 WeakPolarHBondContact CG-OE1 3.32Å; K684-E794 IonicContact NZ-OE1 3.75Å; K684-E794 PolarHBondContact NZ-OE1 3.37Å |
| 685 | R | 90.6 | Very high | 87.3 | Confident | 119 Ų | 119 | 38.4 Ų | 38.4 | 45% | 0.449 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.4 | -36.3 | 176.9 | -173.6 | 63.3 | -177.9 | 103.7 | -9.2 | 112.6 | P681 F682 Y683 S688 T773 | P681-R685 PolarHBondContact O-N 2.78Å; F682-R685 WeakPolarHBondContact O-CB 3.49Å; F682-R685 PolarHBondContact O-N 2.95Å; F682-R685 VanDerWaalsContact O-N 3.09Å; Y683-R685 VanDerWaalsContact C-N 3.33Å; Y683-R685 PolarHBondContact O-N 3.1Å; R685-S688 PolarHBondContact O-N 2.94Å; R685-T773 HydrophobicContact CG-CG2 3.89Å |
| 686 | M | 90.8 | Very high | 87.5 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.02 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.5 | -46.9 | 171.8 | -66.3 | 178.4 | 65.2 | 0 | 0 | 112.1 | F682 Y683 K684 S688 F776 L777 F780 L797 | F682-M686 HydrophobicContact CD1-CG 4.33Å; F682-M686 HydrophobicContact CD1-SD 3.95Å; F682-M686 HydrophobicContact CE1-CG 4.13Å; F682-M686 HydrophobicContact CE1-SD 3.63Å; F682-M686 WeakPolarHBondContact O-CG 3.09Å; F682-M686 PolarHBondContact O-N 3.46Å; Y683-M686 HydrophobicContact CD1-SD 3.9Å; Y683-M686 HydrophobicContact CE1-SD 4.4Å; Y683-M686 WeakPolarHBondContact O-CB 3.34Å; Y683-M686 PolarHBondContact O-N 2.91Å; K684-M686 VanDerWaalsContact C-N 3.34Å; K684-M686 PolarHBondContact O-N 3.27Å; M686-S688 PolarHBondContact O-N 2.87Å; M686-S688 VanDerWaalsContact O-N 3.1Å; M686-F776 HydrophobicContact CE-CE1 3.89Å; M686-F776 HydrophobicContact CE-CZ 4.02Å; M686-F776 HydrophobicContact CG-CE1 3.89Å; M686-F776 HydrophobicContact SD-CE1 3.8Å; M686-F776 HydrophobicContact SD-CZ 4Å; M686-L777 HydrophobicContact CB-CD2 4.26Å; M686-L777 HydrophobicContact CG-CD2 4.04Å; M686-F780 HydrophobicContact CE-CD2 3.67Å; M686-F780 HydrophobicContact CE-CE2 3.41Å; M686-F780 VanDerWaalsContact CE-CE2 3.41Å; M686-F780 HydrophobicContact CE-CG 4.37Å; M686-F780 HydrophobicContact CE-CZ 3.93Å; M686-L797 HydrophobicContact CB-CD2 4.29Å; M686-L797 HydrophobicContact CE-CD2 4.31Å; M686-L797 HydrophobicContact SD-CD2 4.29Å |
| 687 | L | 91.1 | Very high | 88 | Confident | 30 Ų | 30 | 38 Ų | 38 | 16% | 0.157 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 7.9 | 177.7 | -63.9 | 168.1 | 0 | 0 | 0 | 113.4 | Y683 K684 K689 L789 D793 E794 L797 | Y683-L687 WeakPolarHBondContact O-CG 3.48Å; Y683-L687 PolarHBondContact O-N 2.97Å; K684-L687 CarbonylContact O-C 3.59Å; K684-L687 PolarHBondContact O-N 2.87Å; L687-K689 HydrophobicContact CB-CD 4.4Å; L687-K689 HydrophobicContact CB-CG 3.99Å; L687-K689 PolarHBondContact O-N 3.4Å; L687-L789 HydrophobicContact CD2-CB 3.69Å; L687-L789 WeakPolarHBondContact CD2-O 3.36Å; L687-D793 VanDerWaalsContact CD1-C 3.47Å; L687-E794 HydrophobicContact CD1-CB 4.33Å; L687-L797 HydrophobicContact CD1-CB 4.37Å; L687-L797 HydrophobicContact CD1-CD2 4.16Å; L687-L797 HydrophobicContact CD2-CD2 4.08Å; L687-L797 HydrophobicContact CG-CD2 3.89Å |
| 688 | S | 90 | Very high | 88.4 | Confident | 92 Ų | 92 | 39.3 Ų | 39.3 | 64% | 0.643 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 23.5 | -175.5 | -59 | 0 | 0 | 0 | 0 | 114.7 | K684 R685 M686 | K684-S688 PolarHBondContact O-N 3.34Å; K684-S688 VanDerWaalsContact O-N 3.17Å; R685-S688 PolarHBondContact O-N 2.94Å; M686-S688 PolarHBondContact O-N 2.87Å; M686-S688 VanDerWaalsContact O-N 3.1Å |
| 689 | K | 90.2 | Very high | 88.2 | Confident | 42 Ų | 42 | 39.6 Ų | 39.6 | 18% | 0.183 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -75.5 | 145.3 | 176.7 | -67.3 | -171.5 | 175.3 | -160.3 | 0 | 111.1 | K684 L687 L691 E794 E917 | K684-K689 HydrophobicContact CB-CB 4.1Å; K684-K689 PolarHBondContact O-N 2.71Å; L687-K689 HydrophobicContact CB-CD 4.4Å; L687-K689 HydrophobicContact CB-CG 3.99Å; L687-K689 PolarHBondContact O-N 3.4Å; K689-L691 PolarHBondContact O-N 2.92Å; K689-E794 WeakPolarHBondContact CD-OE2 3.39Å; K689-E794 WeakPolarHBondContact CE-OE2 3.3Å; K689-E794 IonicContact NZ-OE2 3.89Å; K689-E794 PolarHBondContact NZ-OE2 3.19Å; K689-E917 WeakPolarHBondContact CE-OE1 3.35Å; K689-E917 IonicContact NZ-OE1 3.37Å; K689-E917 PolarHBondContact NZ-OE1 3.2Å |
| 690 | K | 88.6 | Confident | 88.1 | Confident | 180 Ų | 180 | 40.6 Ų | 40.6 | 78% | 0.783 | 20% | 0.203 | S | C | * | . | P | Polyproline II helix | trans | -63 | 132 | 173.8 | -174.9 | 169.3 | -176.7 | 175 | 0 | 110.7 | ||
| 691 | L | 90 | Very high | 88 | Confident | 35 Ų | 35 | 40.3 Ų | 40.3 | 18% | 0.183 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -85.2 | 144.4 | 172.6 | -56.1 | 179.1 | 0 | 0 | 0 | 109.8 | P681 K684 K689 F765 | P681-L691 HydrophobicContact CB-CD2 4.15Å; P681-L691 WeakPolarHBondContact O-CD2 3.3Å; K684-L691 HydrophobicContact CB-CD2 3.53Å; K684-L691 HydrophobicContact CD-CD2 4.24Å; K684-L691 HydrophobicContact CG-CD2 4.49Å; K689-L691 PolarHBondContact O-N 2.92Å; L691-F765 HydrophobicContact CB-CD2 3.83Å; L691-F765 HydrophobicContact CB-CE2 3.92Å; L691-F765 HydrophobicContact CB-CG 4.29Å; L691-F765 HydrophobicContact CB-CZ 4.42Å; L691-F765 HydrophobicContact CD1-CB 3.74Å; L691-F765 HydrophobicContact CD1-CD1 3.61Å; L691-F765 HydrophobicContact CD1-CD2 3.95Å; L691-F765 HydrophobicContact CD1-CE1 4.14Å; L691-F765 HydrophobicContact CD1-CE2 4.47Å; L691-F765 HydrophobicContact CD1-CG 3.51Å |
| 692 | T | 89.8 | Confident | 87.7 | Confident | 58 Ų | 58 | 45 Ų | 45 | 36% | 0.356 | 22% | 0.223 | S | C | . | . | trans | -123.9 | 164.1 | -171.1 | 71.7 | 0 | 0 | 0 | 0 | 111.5 | K694 D695 L696 | T692-K694 PolarHBondContact O-N 3.09Å; T692-K694 PolarHBondContact OG1-N 2.82Å; T692-D695 WeakPolarHBondContact CA-OD2 3.32Å; T692-D695 WeakPolarHBondContact CB-OD2 3.4Å; T692-D695 PolarHBondContact N-OD2 3.14Å; T692-D695 WeakPolarHBondContact O-CB 3.3Å; T692-D695 PolarHBondContact O-N 2.74Å; T692-D695 VanDerWaalsContact O-N 3.09Å; T692-D695 PolarHBondContact OG1-N 2.84Å; T692-D695 PolarHBondContact OG1-OD2 3.05Å; T692-L696 PolarHBondContact O-N 3.46Å | ||
| 693 | I | 89.5 | Confident | 87.6 | Confident | 38 Ų | 38 | 44.8 Ų | 44.8 | 20% | 0.195 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.5 | -27.3 | 173 | -169.5 | 173.2 | 0 | 0 | 0 | 112.4 | L696 Y704 L707 I708 I757 | I693-L696 WeakPolarHBondContact O-CB 3.48Å; I693-L696 PolarHBondContact O-N 3.07Å; I693-Y704 HydrophobicContact CG1-CD2 4.06Å; I693-Y704 HydrophobicContact CG1-CE2 4.1Å; I693-Y704 WeakPolarHBondContact O-CD2 3.4Å; I693-Y704 WeakPolarHBondContact O-CE2 3.47Å; I693-L707 HydrophobicContact CD1-CB 3.93Å; I693-I708 HydrophobicContact CD1-CD1 3.64Å; I693-I708 HydrophobicContact CD1-CG1 4.06Å; I693-I708 HydrophobicContact CG1-CD1 4.22Å; I693-I757 HydrophobicContact CD1-CG2 3.73Å |
| 694 | K | 87.1 | Confident | 87.4 | Confident | 83 Ų | 83 | 46.3 Ų | 46.3 | 36% | 0.361 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -73 | -33.7 | 176.6 | -167.6 | -179.8 | 177.1 | -170.3 | 0 | 112.5 | T692 L696 E697 | T692-K694 PolarHBondContact O-N 3.09Å; T692-K694 PolarHBondContact OG1-N 2.82Å; K694-L696 PolarHBondContact O-N 3.27Å; K694-E697 WeakPolarHBondContact O-CB 3.18Å; K694-E697 PolarHBondContact O-N 2.92Å |
| 695 | D | 88.3 | Confident | 87.2 | Confident | 19 Ų | 19 | 50.1 Ų | 50.1 | 10% | 0.102 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.4 | -35.3 | 174.8 | -64.4 | -63.4 | 0 | 0 | 0 | 111.3 | P681 K684 T692 E697 S698 F765 | P681-D695 HydrophobicContact CB-CB 4.23Å; P681-D695 HydrophobicContact CG-CB 3.79Å; K684-D695 VanDerWaalsContact CD-OD1 3.24Å; K684-D695 WeakPolarHBondContact CD-OD1 3.4Å; K684-D695 IonicContact NZ-OD1 2.81Å; K684-D695 PolarHBondContact NZ-OD1 3.48Å; K684-D695 IonicContact NZ-OD2 3.66Å; K684-D695 PolarHBondContact NZ-OD2 3.48Å; T692-D695 WeakPolarHBondContact CA-OD2 3.32Å; T692-D695 WeakPolarHBondContact CB-OD2 3.4Å; T692-D695 PolarHBondContact N-OD2 3.14Å; T692-D695 WeakPolarHBondContact O-CB 3.3Å; T692-D695 PolarHBondContact O-N 2.74Å; T692-D695 VanDerWaalsContact O-N 3.09Å; T692-D695 PolarHBondContact OG1-N 2.84Å; T692-D695 PolarHBondContact OG1-OD2 3.05Å; D695-E697 VanDerWaalsContact C-N 3.33Å; D695-E697 PolarHBondContact O-N 3.34Å; D695-S698 PolarHBondContact O-N 2.99Å; D695-S698 PolarHBondContact O-OG 3.36Å; D695-F765 HydrophobicContact CB-CE2 4.19Å; D695-F765 HydrophobicContact CB-CZ 3.64Å |
| 696 | L | 87.9 | Confident | 87.2 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.4 | -29.7 | -179.8 | 175.9 | 65.5 | 0 | 0 | 0 | 113.4 | T692 I693 K694 S698 I699 D700 F703 L707 R764 F765 | T692-L696 PolarHBondContact O-N 3.46Å; I693-L696 WeakPolarHBondContact O-CB 3.48Å; I693-L696 PolarHBondContact O-N 3.07Å; K694-L696 PolarHBondContact O-N 3.27Å; L696-S698 PolarHBondContact O-N 3.3Å; L696-I699 PolarHBondContact O-N 2.94Å; L696-D700 HydrophobicContact CD1-CB 3.94Å; L696-D700 PolarHBondContact O-N 2.71Å; L696-F703 HydrophobicContact CD1-CD1 4.02Å; L696-F703 HydrophobicContact CD2-CD1 3.68Å; L696-F703 HydrophobicContact CD2-CE1 4.15Å; L696-F703 HydrophobicContact CG-CD1 4.34Å; L696-L707 HydrophobicContact CD2-CD1 3.78Å; L696-R764 HydrophobicContact CD1-CB 4.42Å; L696-R764 HydrophobicContact CD1-CG 3.59Å; L696-F765 HydrophobicContact CB-CE2 4.05Å; L696-F765 HydrophobicContact CB-CZ 4.19Å |
| 697 | E | 85.9 | Confident | 87.2 | Confident | 9 Ų | 9 | 45.5 Ų | 45.5 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -52.1 | -44.6 | 175.3 | -174.4 | 178.8 | -160.7 | 0 | 0 | 110.9 | K694 D695 I699 T701 Y704 H888 C890 | K694-E697 WeakPolarHBondContact O-CB 3.18Å; K694-E697 PolarHBondContact O-N 2.92Å; D695-E697 VanDerWaalsContact C-N 3.33Å; D695-E697 PolarHBondContact O-N 3.34Å; E697-I699 PolarHBondContact O-N 2.7Å; E697-T701 HydrophobicContact CG-CG2 4.43Å; E697-T701 PolarHBondContact O-OG1 2.92Å; E697-Y704 HydrophobicContact CB-CD1 3.77Å; E697-Y704 HydrophobicContact CB-CD2 3.82Å; E697-Y704 HydrophobicContact CB-CE1 3.86Å; E697-Y704 HydrophobicContact CB-CE2 3.91Å; E697-Y704 HydrophobicContact CB-CG 3.74Å; E697-Y704 HydrophobicContact CG-CD1 3.69Å; E697-Y704 HydrophobicContact CG-CE1 3.69Å; E697-Y704 HydrophobicContact CG-CG 4.19Å; E697-H888 IonicContact OE1-CE1 2.75Å; E697-H888 IonicContact OE1-CG 3.51Å; E697-H888 IonicContact OE1-ND1 3.8Å; E697-H888 PolarHBondContact OE1-ND1 3.41Å; E697-H888 IonicContact OE2-ND1 3.75Å; E697-C890 PolarHBondContact O-SG 2.9Å |
| 698 | S | 78.8 | Confident | 87.2 | Confident | 29 Ų | 29 | 45.2 Ų | 45.2 | 20% | 0.203 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -14.2 | -174.6 | 75.5 | 0 | 0 | 0 | 0 | 115.4 | C640 D695 L696 C890 | C640-S698 PolarHBondContact SG-O 3.19Å; D695-S698 PolarHBondContact O-N 2.99Å; D695-S698 PolarHBondContact O-OG 3.36Å; L696-S698 PolarHBondContact O-N 3.3Å; S698-C890 VanDerWaalsContact CA-SG 3.57Å |
| 699 | I | 81.5 | Confident | 87.1 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 8% | 0.077 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | -46.2 | -174.4 | -76.7 | 163.2 | 0 | 0 | 0 | 110.6 | A634 P681 L696 E697 F765 | A634-I699 HydrophobicContact CB-CB 4.4Å; A634-I699 HydrophobicContact CB-CG2 3.95Å; A634-I699 WeakPolarHBondContact CB-O 3.13Å; P681-I699 HydrophobicContact CB-CD1 3.83Å; P681-I699 HydrophobicContact CG-CD1 3.68Å; L696-I699 PolarHBondContact O-N 2.94Å; E697-I699 PolarHBondContact O-N 2.7Å; I699-F765 HydrophobicContact CD1-CD1 4.48Å; I699-F765 HydrophobicContact CD1-CE1 3.63Å; I699-F765 HydrophobicContact CD1-CZ 4.4Å |
| 700 | D | 82.8 | Confident | 87.2 | Confident | 34 Ų | 34 | 40.4 Ų | 40.4 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | trans | -139 | 76.5 | -172.4 | -158.9 | -38 | 0 | 0 | 0 | 110.2 | L696 E702 F703 Y704 R764 | L696-D700 HydrophobicContact CD1-CB 3.94Å; L696-D700 PolarHBondContact O-N 2.71Å; D700-E702 PolarHBondContact O-N 3.15Å; D700-F703 HydrophobicContact CB-CB 4.01Å; D700-F703 VanDerWaalsContact CG-CB 3.4Å; D700-F703 PolarHBondContact O-N 2.97Å; D700-F703 WeakPolarHBondContact OD1-CB 3.43Å; D700-F703 PolarHBondContact OD1-N 3.49Å; D700-Y704 VanDerWaalsContact O-CB 3.3Å; D700-Y704 WeakPolarHBondContact O-CB 3.37Å; D700-Y704 PolarHBondContact O-N 2.99Å; D700-R764 IonicContact OD2-CZ 3.68Å; D700-R764 VanDerWaalsContact OD2-CZ 3.25Å; D700-R764 IonicContact OD2-NE 3.75Å; D700-R764 PolarHBondContact OD2-NE 2.79Å; D700-R764 IonicContact OD2-NH2 3.64Å; D700-R764 PolarHBondContact OD2-NH2 3.12Å | ||
| 701 | T | 83.3 | Confident | 87.3 | Confident | 21 Ų | 21 | 35.9 Ų | 35.9 | 13% | 0.129 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.9 | -25.3 | -173.9 | -36.3 | 0 | 0 | 0 | 0 | 112.5 | E697 N705 C890 F891 | E697-T701 HydrophobicContact CG-CG2 4.43Å; E697-T701 PolarHBondContact O-OG1 2.92Å; T701-N705 WeakPolarHBondContact O-CB 3.37Å; T701-N705 PolarHBondContact O-N 3.34Å; T701-N705 VanDerWaalsContact O-N 3.1Å; T701-N705 PolarHBondContact O-ND2 2.97Å; T701-C890 PolarHBondContact OG1-SG 3.2Å; T701-C890 VanDerWaalsContact OG1-SG 3.32Å; T701-F891 HydrophobicContact CG2-CE2 4.38Å; T701-F891 HydrophobicContact CG2-CZ 4.15Å |
| 702 | E | 83 | Confident | 87.3 | Confident | 101 Ų | 101 | 38.9 Ų | 38.9 | 47% | 0.472 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -73.8 | -46.1 | 175.6 | -170.3 | 174.5 | 155.7 | 0 | 0 | 111.2 | D700 S706 | D700-E702 PolarHBondContact O-N 3.15Å; E702-S706 PolarHBondContact O-N 2.84Å; E702-S706 PolarHBondContact O-OG 3.04Å |
| 703 | F | 86.6 | Confident | 87.3 | Confident | 18 Ų | 18 | 38.9 Ų | 38.9 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.7 | -41 | 175.4 | -167.1 | -104.4 | 0 | 0 | 0 | 112 | L88 L696 D700 S706 L707 M760 R764 | L88-F703 HydrophobicContact CD2-CD2 3.94Å; L88-F703 HydrophobicContact CD2-CE2 3.61Å; L696-F703 HydrophobicContact CD1-CD1 4.02Å; L696-F703 HydrophobicContact CD2-CD1 3.68Å; L696-F703 HydrophobicContact CD2-CE1 4.15Å; L696-F703 HydrophobicContact CG-CD1 4.34Å; D700-F703 HydrophobicContact CB-CB 4.01Å; D700-F703 VanDerWaalsContact CG-CB 3.4Å; D700-F703 PolarHBondContact O-N 2.97Å; D700-F703 WeakPolarHBondContact OD1-CB 3.43Å; D700-F703 PolarHBondContact OD1-N 3.49Å; F703-S706 WeakPolarHBondContact O-CB 3.27Å; F703-S706 PolarHBondContact O-N 2.81Å; F703-S706 VanDerWaalsContact O-N 3.15Å; F703-L707 HydrophobicContact CD1-CD1 4.21Å; F703-L707 HydrophobicContact CE1-CD1 3.81Å; F703-L707 HydrophobicContact CE1-CG 4.32Å; F703-L707 HydrophobicContact CZ-CD1 4.49Å; F703-L707 PolarHBondContact O-N 2.93Å; F703-M760 HydrophobicContact CE2-CE 3.6Å; F703-M760 HydrophobicContact CZ-CB 4.2Å; F703-M760 HydrophobicContact CZ-CE 3.48Å; F703-M760 VanDerWaalsContact CZ-CE 3.48Å; F703-M760 HydrophobicContact CZ-SD 4.1Å; F703-R764 HydrophobicContact CD1-CB 4.03Å; F703-R764 HydrophobicContact CD1-CG 3.7Å; F703-R764 HydrophobicContact CE1-CB 3.45Å; F703-R764 VanDerWaalsContact CE1-CB 3.45Å; F703-R764 HydrophobicContact CE1-CG 3.68Å; F703-R764 HydrophobicContact CZ-CB 4.08Å; F703-R764 HydrophobicContact CZ-CG 4.47Å |
| 704 | Y | 88.6 | Confident | 87.2 | Confident | 33 Ų | 33 | 39.6 Ų | 39.6 | 13% | 0.129 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.5 | -54.6 | 171.8 | 171.6 | -104.8 | 0 | 0 | 0 | 112.3 | I693 E697 D700 S706 L707 I708 | I693-Y704 HydrophobicContact CG1-CD2 4.06Å; I693-Y704 HydrophobicContact CG1-CE2 4.1Å; I693-Y704 WeakPolarHBondContact O-CD2 3.4Å; I693-Y704 WeakPolarHBondContact O-CE2 3.47Å; E697-Y704 HydrophobicContact CB-CD1 3.77Å; E697-Y704 HydrophobicContact CB-CD2 3.82Å; E697-Y704 HydrophobicContact CB-CE1 3.86Å; E697-Y704 HydrophobicContact CB-CE2 3.91Å; E697-Y704 HydrophobicContact CB-CG 3.74Å; E697-Y704 HydrophobicContact CG-CD1 3.69Å; E697-Y704 HydrophobicContact CG-CE1 3.69Å; E697-Y704 HydrophobicContact CG-CG 4.19Å; D700-Y704 VanDerWaalsContact O-CB 3.3Å; D700-Y704 WeakPolarHBondContact O-CB 3.37Å; D700-Y704 PolarHBondContact O-N 2.99Å; Y704-S706 PolarHBondContact O-N 3.21Å; Y704-L707 PolarHBondContact O-N 2.91Å; Y704-I708 HydrophobicContact CD1-CG1 4.27Å; Y704-I708 HydrophobicContact CD2-CD1 4.5Å; Y704-I708 HydrophobicContact CD2-CG1 3.94Å; Y704-I708 HydrophobicContact CE1-CG1 3.9Å; Y704-I708 HydrophobicContact CE2-CD1 3.73Å; Y704-I708 HydrophobicContact CE2-CG1 3.54Å; Y704-I708 HydrophobicContact CG-CG1 4.3Å; Y704-I708 WeakPolarHBondContact O-CB 3.26Å; Y704-I708 WeakPolarHBondContact O-CG1 3.46Å; Y704-I708 PolarHBondContact O-N 2.89Å |
| 705 | N | 87.8 | Confident | 87.2 | Confident | 91 Ų | 91 | 35.8 Ų | 35.8 | 49% | 0.487 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.6 | -31.6 | 178.7 | -78.8 | -40.7 | 0 | 0 | 0 | 112 | T701 W709 | T701-N705 WeakPolarHBondContact O-CB 3.37Å; T701-N705 PolarHBondContact O-N 3.34Å; T701-N705 VanDerWaalsContact O-N 3.1Å; T701-N705 PolarHBondContact O-ND2 2.97Å; N705-W709 WeakPolarHBondContact O-CB 3.05Å; N705-W709 PolarHBondContact O-N 3.3Å |
| 706 | S | 89.6 | Confident | 87 | Confident | 27 Ų | 27 | 40.2 Ų | 40.2 | 19% | 0.189 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.1 | -44.3 | 177.7 | -55.5 | 0 | 0 | 0 | 0 | 112.2 | E702 F703 Y704 W709 I710 | E702-S706 PolarHBondContact O-N 2.84Å; E702-S706 PolarHBondContact O-OG 3.04Å; F703-S706 WeakPolarHBondContact O-CB 3.27Å; F703-S706 PolarHBondContact O-N 2.81Å; F703-S706 VanDerWaalsContact O-N 3.15Å; Y704-S706 PolarHBondContact O-N 3.21Å; S706-W709 PolarHBondContact O-N 3.07Å; S706-I710 WeakPolarHBondContact O-CG1 3.43Å; S706-I710 PolarHBondContact O-N 2.94Å; S706-I710 VanDerWaalsContact O-N 3.13Å |
| 707 | L | 91.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69 | -39.1 | 175.9 | -64.7 | -173.5 | 0 | 0 | 0 | 112.5 | I693 L696 F703 Y704 W709 I710 R711 Y756 I757 M760 | I693-L707 HydrophobicContact CD1-CB 3.93Å; L696-L707 HydrophobicContact CD2-CD1 3.78Å; F703-L707 HydrophobicContact CD1-CD1 4.21Å; F703-L707 HydrophobicContact CE1-CD1 3.81Å; F703-L707 HydrophobicContact CE1-CG 4.32Å; F703-L707 HydrophobicContact CZ-CD1 4.49Å; F703-L707 PolarHBondContact O-N 2.93Å; Y704-L707 PolarHBondContact O-N 2.91Å; L707-W709 VanDerWaalsContact C-N 3.3Å; L707-W709 PolarHBondContact O-N 3.5Å; L707-I710 HydrophobicContact CD2-CD1 4.39Å; L707-I710 PolarHBondContact O-N 2.69Å; L707-R711 PolarHBondContact O-N 2.81Å; L707-Y756 HydrophobicContact CD2-CE1 4.48Å; L707-I757 HydrophobicContact CB-CG2 4.46Å; L707-I757 HydrophobicContact CD2-CG1 4.47Å; L707-M760 HydrophobicContact CD1-CB 4.08Å; L707-M760 HydrophobicContact CD2-CB 3.96Å; L707-M760 HydrophobicContact CD2-CG 4.45Å |
| 708 | I | 90.8 | Very high | 86.3 | Confident | 24 Ų | 24 | 51 Ų | 51 | 12% | 0.123 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 173.2 | -67.5 | -70.8 | 0 | 0 | 0 | 110.8 | I693 Y704 R711 D712 | I693-I708 HydrophobicContact CD1-CD1 3.64Å; I693-I708 HydrophobicContact CD1-CG1 4.06Å; I693-I708 HydrophobicContact CG1-CD1 4.22Å; Y704-I708 HydrophobicContact CD1-CG1 4.27Å; Y704-I708 HydrophobicContact CD2-CD1 4.5Å; Y704-I708 HydrophobicContact CD2-CG1 3.94Å; Y704-I708 HydrophobicContact CE1-CG1 3.9Å; Y704-I708 HydrophobicContact CE2-CD1 3.73Å; Y704-I708 HydrophobicContact CE2-CG1 3.54Å; Y704-I708 HydrophobicContact CG-CG1 4.3Å; Y704-I708 WeakPolarHBondContact O-CB 3.26Å; Y704-I708 WeakPolarHBondContact O-CG1 3.46Å; Y704-I708 PolarHBondContact O-N 2.89Å; I708-R711 PolarHBondContact O-N 2.8Å; I708-D712 WeakPolarHBondContact CG2-OD2 3.29Å; I708-D712 WeakPolarHBondContact O-CB 3.21Å; I708-D712 PolarHBondContact O-N 2.71Å |
| 709 | W | 88.4 | Confident | 86.2 | Confident | 32 Ų | 32 | 52.3 Ų | 52.3 | 12% | 0.121 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 175.1 | -169.5 | 89.3 | 0 | 0 | 0 | 111.9 | W35 F36 N705 S706 L707 R711 D712 N713 I715 C718 L720 | W35-W709 AromaticContact CD1-CD1 3.37Å; W35-W709 AromaticContact CD1-NE1 3.21Å; W35-W709 AromaticContact CG-NE1 3.87Å; W35-W709 AromaticContact NE1-CD1 3.71Å; W35-W709 AromaticContact NE1-NE1 3.78Å; F36-W709 HydrophobicContact CD1-CD2 4.49Å; F36-W709 AromaticContact CE1-CD2 3.64Å; F36-W709 HydrophobicContact CE1-CD2 3.64Å; F36-W709 AromaticContact CE1-CE3 3.46Å; F36-W709 HydrophobicContact CE1-CE3 3.46Å; F36-W709 VanDerWaalsContact CE1-CE3 3.46Å; F36-W709 HydrophobicContact CE1-CG 4.32Å; F36-W709 HydrophobicContact CE1-CH2 4.25Å; F36-W709 HydrophobicContact CE1-CZ2 4.37Å; F36-W709 AromaticContact CE1-CZ3 3.81Å; F36-W709 HydrophobicContact CE1-CZ3 3.81Å; F36-W709 HydrophobicContact CE2-CH2 4.47Å; F36-W709 HydrophobicContact CZ-CD2 4.02Å; F36-W709 AromaticContact CZ-CE3 3.68Å; F36-W709 HydrophobicContact CZ-CE3 3.68Å; F36-W709 AromaticContact CZ-CH2 3.63Å; F36-W709 HydrophobicContact CZ-CH2 3.63Å; F36-W709 AromaticContact CZ-CZ2 3.92Å; F36-W709 HydrophobicContact CZ-CZ2 3.92Å; F36-W709 AromaticContact CZ-CZ3 3.5Å; F36-W709 HydrophobicContact CZ-CZ3 3.5Å; N705-W709 WeakPolarHBondContact O-CB 3.05Å; N705-W709 PolarHBondContact O-N 3.3Å; S706-W709 PolarHBondContact O-N 3.07Å; L707-W709 VanDerWaalsContact C-N 3.3Å; L707-W709 PolarHBondContact O-N 3.5Å; W709-R711 VanDerWaalsContact C-N 3.31Å; W709-R711 PolarHBondContact O-N 2.84Å; W709-D712 PolarHBondContact O-N 2.8Å; W709-N713 HydrophobicContact CD2-CB 4.15Å; W709-N713 VanDerWaalsContact CE2-CG 3.42Å; W709-N713 HydrophobicContact CE3-CB 4.24Å; W709-N713 HydrophobicContact CH2-CB 3.67Å; W709-N713 HydrophobicContact CZ2-CB 3.59Å; W709-N713 HydrophobicContact CZ3-CB 4.01Å; W709-N713 PolarHBondContact NE1-ND2 3.02Å; W709-N713 PolarHBondContact NE1-OD1 2.96Å; W709-N713 WeakPolarHBondContact O-CB 3.3Å; W709-N713 PolarHBondContact O-N 2.83Å; W709-N713 VanDerWaalsContact O-N 3.15Å; W709-N713 PolarHBondContact O-ND2 2.81Å; W709-I715 HydrophobicContact CZ3-CG2 4.39Å; W709-C718 HydrophobicContact CH2-CB 4.44Å; W709-L720 HydrophobicContact CE3-CD2 4.3Å; W709-L720 HydrophobicContact CZ3-CD2 3.77Å |
| 710 | I | 90.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 177.1 | -69.8 | 165.7 | 0 | 0 | 0 | 110.9 | L88 S706 L707 I715 L720 M722 K753 Y756 I757 | L88-I710 HydrophobicContact CD1-CD1 3.77Å; S706-I710 WeakPolarHBondContact O-CG1 3.43Å; S706-I710 PolarHBondContact O-N 2.94Å; S706-I710 VanDerWaalsContact O-N 3.13Å; L707-I710 HydrophobicContact CD2-CD1 4.39Å; L707-I710 PolarHBondContact O-N 2.69Å; I710-I715 HydrophobicContact CG2-CG2 4.13Å; I710-L720 HydrophobicContact CG1-CD2 4.29Å; I710-M722 HydrophobicContact CD1-CE 3.81Å; I710-M722 HydrophobicContact CD1-SD 3.77Å; I710-M722 HydrophobicContact CG1-CE 4.06Å; I710-M722 HydrophobicContact CG1-SD 4.43Å; I710-M722 HydrophobicContact CG2-CE 4.27Å; I710-K753 HydrophobicContact CG2-CB 4.09Å; I710-K753 WeakPolarHBondContact O-CD 3.43Å; I710-K753 PolarHBondContact O-NZ 3.17Å; I710-Y756 HydrophobicContact CD1-CE1 4.13Å; I710-I757 HydrophobicContact CB-CD1 4.44Å; I710-I757 HydrophobicContact CG2-CD1 3.99Å; I710-I757 HydrophobicContact CG2-CG1 4.19Å |
| 711 | R | 92.1 | Very high | 86.3 | Confident | 84 Ų | 84 | 57.1 Ų | 57.1 | 32% | 0.317 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.8 | -50.5 | 176.8 | -164.2 | -168.6 | 63.6 | -161.5 | -8.7 | 112 | L707 I708 W709 N713 K753 I757 | L707-R711 PolarHBondContact O-N 2.81Å; I708-R711 PolarHBondContact O-N 2.8Å; W709-R711 VanDerWaalsContact C-N 3.31Å; W709-R711 PolarHBondContact O-N 2.84Å; R711-N713 PolarHBondContact O-N 2.79Å; R711-K753 PolarHBondContact O-NZ 2.98Å; R711-I757 HydrophobicContact CB-CD1 3.67Å; R711-I757 HydrophobicContact CG-CD1 4.17Å |
| 712 | D | 90.4 | Very high | 86.6 | Confident | 98 Ų | 98 | 56.8 Ų | 56.8 | 52% | 0.524 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -88.6 | 0.4 | -166.1 | -64.5 | -11.6 | 0 | 0 | 0 | 114.4 | I708 W709 | I708-D712 WeakPolarHBondContact CG2-OD2 3.29Å; I708-D712 WeakPolarHBondContact O-CB 3.21Å; I708-D712 PolarHBondContact O-N 2.71Å; W709-D712 PolarHBondContact O-N 2.8Å |
| 713 | N | 88.3 | Confident | 87.1 | Confident | 59 Ų | 59 | 56.1 Ų | 56.1 | 32% | 0.316 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -131.6 | 155.4 | -177.9 | -62.7 | -105.2 | 0 | 0 | 0 | 110.8 | W709 R711 I715 K753 | W709-N713 HydrophobicContact CD2-CB 4.15Å; W709-N713 VanDerWaalsContact CE2-CG 3.42Å; W709-N713 HydrophobicContact CE3-CB 4.24Å; W709-N713 HydrophobicContact CH2-CB 3.67Å; W709-N713 HydrophobicContact CZ2-CB 3.59Å; W709-N713 HydrophobicContact CZ3-CB 4.01Å; W709-N713 PolarHBondContact NE1-ND2 3.02Å; W709-N713 PolarHBondContact NE1-OD1 2.96Å; W709-N713 WeakPolarHBondContact O-CB 3.3Å; W709-N713 PolarHBondContact O-N 2.83Å; W709-N713 VanDerWaalsContact O-N 3.15Å; W709-N713 PolarHBondContact O-ND2 2.81Å; R711-N713 PolarHBondContact O-N 2.79Å; N713-I715 PolarHBondContact O-N 3.04Å; N713-K753 PolarHBondContact O-NZ 3.05Å |
| 714 | N | 87.6 | Confident | 87.5 | Confident | 53 Ų | 53 | 55.2 Ų | 55.2 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | trans | -76.6 | 117.1 | 172.1 | -175.4 | -32.7 | 0 | 0 | 0 | 110.2 | E716 E717 C718 E750 | N714-E716 WeakPolarHBondContact OD1-CB 3.46Å; N714-E716 PolarHBondContact OD1-N 3Å; N714-E717 HydrophobicContact CB-CB 4.19Å; N714-E717 HydrophobicContact CB-CG 4.29Å; N714-E717 WeakPolarHBondContact ND2-CG 3.4Å; N714-E717 PolarHBondContact ND2-OE1 2.96Å; N714-E717 VanDerWaalsContact ND2-OE1 3.14Å; N714-E717 PolarHBondContact OD1-N 3.36Å; N714-C718 PolarHBondContact O-SG 2.61Å; N714-C718 VanDerWaalsContact O-SG 3.38Å; N714-E750 WeakPolarHBondContact CA-OE1 3.11Å | ||
| 715 | I | 87.9 | Confident | 87.6 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -22.3 | -176.8 | 71 | -178 | 0 | 0 | 0 | 113.4 | W709 I710 N713 C718 G719 L720 M722 V748 E750 K753 | W709-I715 HydrophobicContact CZ3-CG2 4.39Å; I710-I715 HydrophobicContact CG2-CG2 4.13Å; N713-I715 PolarHBondContact O-N 3.04Å; I715-C718 PolarHBondContact O-SG 3.11Å; I715-G719 PolarHBondContact O-N 3.26Å; I715-L720 HydrophobicContact CB-CB 4.32Å; I715-L720 HydrophobicContact CG2-CD2 4.38Å; I715-L720 PolarHBondContact O-N 3.3Å; I715-M722 HydrophobicContact CD1-CE 4.18Å; I715-V748 HydrophobicContact CD1-CB 4.22Å; I715-V748 HydrophobicContact CD1-CG1 3.71Å; I715-E750 WeakPolarHBondContact CG1-OE1 3.18Å; I715-E750 PolarHBondContact N-OE1 3.39Å; I715-K753 HydrophobicContact CD1-CB 4.22Å |
| 716 | E | 84.3 | Confident | 87.6 | Confident | 112 Ų | 112 | 51.7 Ų | 51.7 | 52% | 0.523 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -45.3 | 180 | -65.1 | 171.6 | -156.4 | 0 | 0 | 110.8 | N714 C718 G719 T749 E750 | N714-E716 WeakPolarHBondContact OD1-CB 3.46Å; N714-E716 PolarHBondContact OD1-N 3Å; E716-C718 PolarHBondContact O-N 2.65Å; E716-G719 PolarHBondContact O-N 3.2Å; E716-T749 WeakPolarHBondContact OE1-CB 3.35Å; E716-E750 HydrophobicContact CG-CG 4.24Å; E716-E750 PolarHBondContact OE1-N 2.92Å |
| 717 | E | 80.3 | Confident | 87.3 | Confident | 169 Ų | 169 | 55.4 Ų | 55.4 | 79% | 0.79 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -30.8 | 175.9 | -81.9 | -179.4 | -148.4 | 0 | 0 | 113.5 | N714 | N714-E717 HydrophobicContact CB-CB 4.19Å; N714-E717 HydrophobicContact CB-CG 4.29Å; N714-E717 WeakPolarHBondContact ND2-CG 3.4Å; N714-E717 PolarHBondContact ND2-OE1 2.96Å; N714-E717 VanDerWaalsContact ND2-OE1 3.14Å; N714-E717 PolarHBondContact OD1-N 3.36Å |
| 718 | C | 78 | Confident | 86.6 | Confident | 67 Ų | 67 | 56.4 Ų | 56.4 | 45% | 0.453 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -2.6 | 179 | 70.4 | 0 | 0 | 0 | 0 | 114.2 | W709 N714 I715 E716 L720 | W709-C718 HydrophobicContact CH2-CB 4.44Å; N714-C718 PolarHBondContact O-SG 2.61Å; N714-C718 VanDerWaalsContact O-SG 3.38Å; I715-C718 PolarHBondContact O-SG 3.11Å; E716-C718 PolarHBondContact O-N 2.65Å; C718-L720 VanDerWaalsContact SG-CB 3.58Å |
| 719 | G | 77.4 | Confident | 85.9 | Confident | 58 Ų | 58 | 61.9 Ų | 61.9 | 60% | 0.598 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 35.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I715 E716 E721 | I715-G719 PolarHBondContact O-N 3.26Å; E716-G719 PolarHBondContact O-N 3.2Å; G719-E721 VanDerWaalsContact C-N 3.3Å; G719-E721 PolarHBondContact O-N 3.49Å |
| 720 | L | 79.9 | Confident | 85 | Confident | 27 Ų | 27 | 62.7 Ų | 62.7 | 14% | 0.141 | 33% | 0.325 | C | S | . | . | trans | -83.4 | 74.1 | -178.7 | -174 | 65.6 | 0 | 0 | 0 | 111.3 | F36 W709 I710 I715 C718 M722 | F36-L720 HydrophobicContact CE1-CD2 4.35Å; F36-L720 HydrophobicContact CZ-CD1 4.24Å; F36-L720 HydrophobicContact CZ-CD2 4.02Å; W709-L720 HydrophobicContact CE3-CD2 4.3Å; W709-L720 HydrophobicContact CZ3-CD2 3.77Å; I710-L720 HydrophobicContact CG1-CD2 4.29Å; I715-L720 HydrophobicContact CB-CB 4.32Å; I715-L720 HydrophobicContact CG2-CD2 4.38Å; I715-L720 PolarHBondContact O-N 3.3Å; C718-L720 VanDerWaalsContact SG-CB 3.58Å; L720-M722 HydrophobicContact CD1-CG 4.46Å; L720-M722 HydrophobicContact CD1-SD 4.46Å; L720-M722 HydrophobicContact CD2-CE 3.75Å; L720-M722 HydrophobicContact CD2-SD 3.76Å; L720-M722 HydrophobicContact CG-CE 4Å; L720-M722 HydrophobicContact CG-CG 3.99Å; L720-M722 HydrophobicContact CG-SD 3.84Å; L720-M722 PolarHBondContact O-N 2.84Å | ||
| 721 | E | 85.4 | Confident | 84 | Confident | 123 Ų | 123 | 67.7 Ų | 67.7 | 58% | 0.575 | 35% | 0.351 | S | S | * | . | trans | -59 | 120.6 | 171.8 | -169.8 | 173 | -143.5 | 0 | 0 | 110.8 | K89 G719 Y723 L747 | K89-E721 PolarHBondContact NZ-O 2.74Å; K89-E721 VanDerWaalsContact NZ-O 3.11Å; G719-E721 VanDerWaalsContact C-N 3.3Å; G719-E721 PolarHBondContact O-N 3.49Å; E721-Y723 HydrophobicContact CG-CE2 4.05Å; E721-L747 HydrophobicContact CG-CD1 4.1Å | ||
| 722 | M | 90.1 | Very high | 82.9 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 6% | 0.064 | 37% | 0.366 | C | S | . | . | trans | -151.4 | 155.5 | -178.8 | -63.4 | -177.3 | -56.6 | 0 | 0 | 109.3 | I710 I715 L720 L747 V748 | I710-M722 HydrophobicContact CD1-CE 3.81Å; I710-M722 HydrophobicContact CD1-SD 3.77Å; I710-M722 HydrophobicContact CG1-CE 4.06Å; I710-M722 HydrophobicContact CG1-SD 4.43Å; I710-M722 HydrophobicContact CG2-CE 4.27Å; I715-M722 HydrophobicContact CD1-CE 4.18Å; L720-M722 HydrophobicContact CD1-CG 4.46Å; L720-M722 HydrophobicContact CD1-SD 4.46Å; L720-M722 HydrophobicContact CD2-CE 3.75Å; L720-M722 HydrophobicContact CD2-SD 3.76Å; L720-M722 HydrophobicContact CG-CE 4Å; L720-M722 HydrophobicContact CG-CG 3.99Å; L720-M722 HydrophobicContact CG-SD 3.84Å; L720-M722 PolarHBondContact O-N 2.84Å; M722-L747 WeakPolarHBondContact O-CD1 3.19Å; M722-V748 HydrophobicContact CB-CB 4.19Å; M722-V748 HydrophobicContact CB-CG2 3.97Å; M722-V748 HydrophobicContact CE-CB 4.28Å; M722-V748 HydrophobicContact CE-CG1 4.25Å; M722-V748 PolarHBondContact O-N 3.24Å | ||
| 723 | Y | 92.9 | Very high | 82 | Confident | 87 Ų | 87 | 68.8 Ų | 68.8 | 34% | 0.341 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -128.8 | 165.6 | -179.8 | -68.3 | -91 | 0 | 0 | 0 | 111.2 | E721 S725 S744 I746 L747 Y756 | E721-Y723 HydrophobicContact CG-CE2 4.05Å; Y723-S725 PolarHBondContact O-N 2.98Å; Y723-S744 WeakPolarHBondContact CD1-O 3.14Å; Y723-I746 CarbonylContact C-O 3.58Å; Y723-I746 VanDerWaalsContact CA-O 3.25Å; Y723-I746 WeakPolarHBondContact CA-O 3.47Å; Y723-I746 WeakPolarHBondContact CD1-O 3.26Å; Y723-L747 HydrophobicContact CD1-CB 4.5Å; Y723-L747 HydrophobicContact CE1-CB 4.19Å; Y723-L747 HydrophobicContact CE1-CD1 4.01Å; Y723-L747 HydrophobicContact CE2-CD1 4.24Å; Y723-Y756 WeakPolarHBondContact O-CE2 3.49Å |
| 724 | F | 94.9 | Very high | 81.6 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -74.4 | 44.6 | 173.2 | -78.6 | -107.8 | 0 | 0 | 0 | 112.6 | L739 K740 G743 I746 V748 N752 E755 Y756 L759 | F724-L739 HydrophobicContact CB-CB 4.46Å; F724-L739 WeakPolarHBondContact O-CB 3.33Å; F724-L739 PolarHBondContact O-N 3.37Å; F724-K740 HydrophobicContact CB-CG 4.18Å; F724-K740 HydrophobicContact CD1-CD 3.55Å; F724-K740 VanDerWaalsContact CD1-CE 3.48Å; F724-K740 HydrophobicContact CD1-CG 3.99Å; F724-K740 HydrophobicContact CE1-CD 3.88Å; F724-K740 HydrophobicContact CG-CD 4.14Å; F724-K740 HydrophobicContact CG-CG 4.32Å; F724-G743 VanDerWaalsContact C-C 3.49Å; F724-G743 CarbonylContact C-O 3.46Å; F724-G743 WeakPolarHBondContact CA-O 3.45Å; F724-G743 WeakPolarHBondContact CB-O 3.21Å; F724-G743 PolarHBondContact N-O 2.98Å; F724-G743 CarbonylContact O-C 3.56Å; F724-G743 VanDerWaalsContact O-CA 3.31Å; F724-G743 WeakPolarHBondContact O-CA 3.41Å; F724-I746 HydrophobicContact CB-CB 4.4Å; F724-I746 HydrophobicContact CD2-CB 4.1Å; F724-I746 HydrophobicContact CD2-CG2 3.7Å; F724-I746 WeakPolarHBondContact CD2-O 3.23Å; F724-I746 HydrophobicContact CE2-CG2 4.03Å; F724-I746 HydrophobicContact CG-CG2 4.44Å; F724-I746 PolarHBondContact N-O 3.47Å; F724-V748 HydrophobicContact CD2-CG2 3.95Å; F724-V748 HydrophobicContact CE2-CG2 4.01Å; F724-N752 HydrophobicContact CE2-CB 4.38Å; F724-N752 WeakPolarHBondContact CE2-OD1 3.4Å; F724-N752 HydrophobicContact CZ-CB 4.12Å; F724-E755 HydrophobicContact CE1-CB 4.13Å; F724-E755 HydrophobicContact CE1-CG 3.98Å; F724-E755 HydrophobicContact CZ-CB 4.25Å; F724-E755 HydrophobicContact CZ-CG 4.49Å; F724-Y756 HydrophobicContact CD1-CD2 4.3Å; F724-Y756 HydrophobicContact CG-CD2 4.29Å; F724-L759 HydrophobicContact CD1-CD1 3.83Å; F724-L759 HydrophobicContact CE1-CD1 3.95Å |
| 725 | S | 90.9 | Very high | 81.2 | Confident | 29 Ų | 29 | 70.4 Ų | 70.4 | 20% | 0.203 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 161.1 | 172.1 | 62.8 | 0 | 0 | 0 | 0 | 110.3 | Y723 H737 | Y723-S725 PolarHBondContact O-N 2.98Å; S725-H737 CarbonylContact C-O 3.54Å; S725-H737 VanDerWaalsContact CA-O 3.29Å; S725-H737 WeakPolarHBondContact CA-O 3.17Å |
| 726 | V | 88.2 | Confident | 81.1 | Confident | 20 Ų | 20 | 74.1 Ų | 74.1 | 12% | 0.121 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 141.3 | -179.4 | 61.1 | 0 | 0 | 0 | 0 | 111.3 | H737 L739 M760 W763 | V726-H737 HydrophobicContact CG1-CB 4.49Å; V726-H737 PolarHBondContact N-O 3Å; V726-H737 PolarHBondContact O-N 3.16Å; V726-L739 HydrophobicContact CG1-CD2 3.8Å; V726-L739 HydrophobicContact CG1-CG 4.35Å; V726-M760 HydrophobicContact CB-CE 4.24Å; V726-M760 HydrophobicContact CB-SD 3.96Å; V726-M760 HydrophobicContact CG1-SD 4.1Å; V726-M760 HydrophobicContact CG2-CE 3.83Å; V726-M760 HydrophobicContact CG2-SD 4.07Å; V726-W763 HydrophobicContact CB-CH2 4.15Å; V726-W763 HydrophobicContact CB-CZ2 4.43Å; V726-W763 HydrophobicContact CB-CZ3 4.29Å; V726-W763 HydrophobicContact CG1-CD2 3.66Å; V726-W763 VanDerWaalsContact CG1-CE2 3.44Å; V726-W763 HydrophobicContact CG1-CE3 3.81Å; V726-W763 HydrophobicContact CG1-CG 4.37Å; V726-W763 HydrophobicContact CG1-CH2 3.53Å; V726-W763 HydrophobicContact CG1-CZ2 3.4Å; V726-W763 HydrophobicContact CG1-CZ3 3.73Å; V726-W763 HydrophobicContact CG2-CE3 4.35Å; V726-W763 HydrophobicContact CG2-CH2 3.5Å; V726-W763 HydrophobicContact CG2-CZ2 4.23Å; V726-W763 HydrophobicContact CG2-CZ3 3.58Å |
| 727 | D | 83.3 | Confident | 81.2 | Confident | 105 Ų | 105 | 73 Ų | 73 | 56% | 0.561 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 139 | 175.7 | -65.8 | -28.7 | 0 | 0 | 0 | 111.4 | V734 S736 | D727-V734 HydrophobicContact CB-CG1 4.04Å; D727-S736 WeakPolarHBondContact OD1-CA 3.44Å; D727-S736 WeakPolarHBondContact OD1-CB 3.31Å; D727-S736 PolarHBondContact OD1-OG 2.96Å |
| 728 | M | 77.5 | Confident | 81.8 | Confident | 21 Ų | 21 | 67.9 Ų | 67.9 | 10% | 0.103 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 134.3 | 172.7 | -170.6 | 175.9 | -177 | 0 | 0 | 110.1 | P645 I730 V734 T735 W763 R767 | P645-M728 HydrophobicContact CB-CE 4.02Å; P645-M728 HydrophobicContact CG-CE 4.31Å; M728-I730 HydrophobicContact CE-CD1 3.78Å; M728-I730 HydrophobicContact CE-CG1 3.82Å; M728-I730 HydrophobicContact CG-CD1 4.45Å; M728-I730 HydrophobicContact CG-CG1 4.08Å; M728-I730 HydrophobicContact SD-CD1 3.9Å; M728-I730 HydrophobicContact SD-CG1 4.13Å; M728-V734 CarbonylContact O-C 3.54Å; M728-V734 WeakPolarHBondContact O-CA 3.48Å; M728-T735 PolarHBondContact N-O 2.73Å; M728-T735 PolarHBondContact O-N 3.47Å; M728-T735 PolarHBondContact O-OG1 2.72Å; M728-W763 HydrophobicContact CB-CH2 4.19Å; M728-W763 HydrophobicContact CB-CZ2 3.92Å; M728-W763 HydrophobicContact CG-CZ2 4.43Å; M728-W763 HydrophobicContact SD-CZ2 4.25Å; M728-R767 HydrophobicContact CE-CB 4.1Å; M728-R767 HydrophobicContact CE-CG 3.74Å; M728-R767 HydrophobicContact SD-CB 3.77Å; M728-R767 HydrophobicContact SD-CG 3.91Å |
| 729 | E | 75.7 | Confident | 82.4 | Confident | 139 Ų | 139 | 65.6 Ų | 65.6 | 65% | 0.65 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 120.1 | 172.6 | -166.7 | -175.2 | 154.1 | 0 | 0 | 109.3 | K733 V734 | E729-K733 WeakPolarHBondContact CA-O 3.47Å; E729-V734 HydrophobicContact CB-CG2 4.42Å; E729-V734 HydrophobicContact CG-CG2 4.21Å |
| 730 | I | 68.9 | Low | 83.2 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 25% | 0.251 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 122.1 | 173 | -60.1 | 176.7 | 0 | 0 | 0 | 107.7 | M728 G732 K733 | M728-I730 HydrophobicContact CE-CD1 3.78Å; M728-I730 HydrophobicContact CE-CG1 3.82Å; M728-I730 HydrophobicContact CG-CD1 4.45Å; M728-I730 HydrophobicContact CG-CG1 4.08Å; M728-I730 HydrophobicContact SD-CD1 3.9Å; M728-I730 HydrophobicContact SD-CG1 4.13Å; I730-G732 PolarHBondContact O-N 3.25Å; I730-K733 PolarHBondContact N-O 2.97Å; I730-K733 WeakPolarHBondContact O-CB 3.39Å; I730-K733 PolarHBondContact O-N 3.1Å |
| 731 | L | 69.7 | Low | 83.8 | Confident | 106 Ų | 106 | 72.5 Ų | 72.5 | 56% | 0.555 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 37.6 | 178.8 | -62.2 | 170.7 | 0 | 0 | 0 | 113.4 | A646 I649 K733 | A646-L731 HydrophobicContact CB-CD2 3.94Å; A646-L731 HydrophobicContact CB-CG 4.06Å; I649-L731 HydrophobicContact CB-CD1 4.48Å; I649-L731 HydrophobicContact CD1-CD1 4.41Å; I649-L731 HydrophobicContact CD1-CD2 4Å; L731-K733 VanDerWaalsContact C-N 3.27Å; L731-K733 PolarHBondContact O-N 3.43Å |
| 732 | G | 70.3 | Confident | 84.2 | Confident | 60 Ų | 60 | 68 Ų | 68 | 62% | 0.619 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | -2.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | I730 | I730-G732 PolarHBondContact O-N 3.25Š|
| 733 | K | 71.8 | Confident | 84.3 | Confident | 145 Ų | 145 | 67.4 Ų | 67.4 | 63% | 0.63 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 118.1 | 172.9 | -175.4 | -173.2 | 176.7 | -172.2 | 0 | 109.9 | E729 I730 L731 T735 | E729-K733 WeakPolarHBondContact CA-O 3.47Å; I730-K733 PolarHBondContact N-O 2.97Å; I730-K733 WeakPolarHBondContact O-CB 3.39Å; I730-K733 PolarHBondContact O-N 3.1Å; L731-K733 VanDerWaalsContact C-N 3.27Å; L731-K733 PolarHBondContact O-N 3.43Å; K733-T735 HydrophobicContact CD-CG2 4.21Å; K733-T735 HydrophobicContact CG-CG2 4.3Å |
| 734 | V | 78.4 | Confident | 84.2 | Confident | 89 Ų | 89 | 65.7 Ų | 65.7 | 54% | 0.539 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 133.8 | 169 | -175.4 | 0 | 0 | 0 | 0 | 110 | D727 M728 E729 | D727-V734 HydrophobicContact CB-CG1 4.04Å; M728-V734 CarbonylContact O-C 3.54Å; M728-V734 WeakPolarHBondContact O-CA 3.48Å; E729-V734 HydrophobicContact CB-CG2 4.42Å; E729-V734 HydrophobicContact CG-CG2 4.21Å |
| 735 | T | 79.1 | Confident | 84.2 | Confident | 58 Ų | 58 | 72.2 Ų | 72.2 | 36% | 0.356 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 126 | 172.8 | 52.4 | 0 | 0 | 0 | 0 | 109.6 | M728 K733 | M728-T735 PolarHBondContact N-O 2.73Å; M728-T735 PolarHBondContact O-N 3.47Å; M728-T735 PolarHBondContact O-OG1 2.72Å; K733-T735 HydrophobicContact CD-CG2 4.21Å; K733-T735 HydrophobicContact CG-CG2 4.3Å |
| 736 | S | 85.8 | Confident | 84.3 | Confident | 80 Ų | 80 | 73.6 Ų | 73.6 | 56% | 0.559 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 145.4 | 173.6 | -146.5 | 0 | 0 | 0 | 0 | 111.1 | D727 | D727-S736 WeakPolarHBondContact OD1-CA 3.44Å; D727-S736 WeakPolarHBondContact OD1-CB 3.31Å; D727-S736 PolarHBondContact OD1-OG 2.96Å |
| 737 | H | 86.9 | Confident | 84.6 | Confident | 89 Ų | 89 | 76.2 Ų | 76.2 | 41% | 0.412 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 116.9 | -177.2 | -179.2 | -69.4 | 0 | 0 | 0 | 110.7 | S725 V726 L739 W763 | S725-H737 CarbonylContact C-O 3.54Å; S725-H737 VanDerWaalsContact CA-O 3.29Å; S725-H737 WeakPolarHBondContact CA-O 3.17Å; V726-H737 HydrophobicContact CG1-CB 4.49Å; V726-H737 PolarHBondContact N-O 3Å; V726-H737 PolarHBondContact O-N 3.16Å; H737-L739 PolarHBondContact O-N 3.12Å; H737-W763 AromaticContact CD2-NE1 3.92Å; H737-W763 AromaticContact CE1-CD1 3.8Å; H737-W763 AromaticContact CG-NE1 3.58Å; H737-W763 AromaticContact ND1-CD1 3.71Å; H737-W763 AromaticContact ND1-NE1 3.67Å |
| 738 | D | 92.2 | Very high | 85.2 | Confident | 61 Ų | 61 | 71.5 Ų | 71.5 | 33% | 0.326 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 119.7 | 169.8 | -94.6 | 12.3 | 0 | 0 | 0 | 110.2 | K740 G742 G743 S744 | D738-K740 VanDerWaalsContact C-N 3.28Å; D738-K740 PolarHBondContact O-N 3.44Å; D738-G742 VanDerWaalsContact OD2-C 3.23Å; D738-G742 WeakPolarHBondContact OD2-CA 3.48Å; D738-G742 PolarHBondContact OD2-N 3.2Å; D738-G743 PolarHBondContact OD2-N 3.45Å; D738-S744 WeakPolarHBondContact OD1-CB 3.42Å; D738-S744 PolarHBondContact OD1-N 3.44Å; D738-S744 PolarHBondContact OD1-OG 2.94Å; D738-S744 PolarHBondContact OD2-OG 2.86Å |
| 739 | L | 92.2 | Very high | 85.9 | Confident | 19 Ų | 19 | 72 Ų | 72 | 10% | 0.099 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -70.3 | -26 | 179.7 | -64.7 | 173.7 | 0 | 0 | 0 | 112.8 | F724 V726 H737 Y756 L759 M760 W763 | F724-L739 HydrophobicContact CB-CB 4.46Å; F724-L739 WeakPolarHBondContact O-CB 3.33Å; F724-L739 PolarHBondContact O-N 3.37Å; V726-L739 HydrophobicContact CG1-CD2 3.8Å; V726-L739 HydrophobicContact CG1-CG 4.35Å; H737-L739 PolarHBondContact O-N 3.12Å; L739-Y756 HydrophobicContact CD1-CD2 3.75Å; L739-Y756 HydrophobicContact CD1-CE2 3.6Å; L739-L759 HydrophobicContact CB-CB 4.11Å; L739-L759 HydrophobicContact CB-CD1 4.23Å; L739-L759 HydrophobicContact CD1-CB 4.46Å; L739-M760 HydrophobicContact CD1-CG 3.67Å; L739-M760 HydrophobicContact CD1-SD 3.76Å; L739-M760 HydrophobicContact CD2-SD 4.04Å; L739-M760 HydrophobicContact CG-SD 4.49Å; L739-W763 HydrophobicContact CD2-CB 3.86Å; L739-W763 HydrophobicContact CD2-CD2 4.44Å; L739-W763 HydrophobicContact CD2-CG 3.9Å |
| 740 | K | 92.8 | Very high | 86.7 | Confident | 55 Ų | 55 | 68.2 Ų | 68.2 | 24% | 0.239 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -147 | 167.9 | 170.8 | 69.2 | -171 | -171.4 | -177 | 0 | 109.2 | F724 D738 G742 G743 I746 E755 L759 | F724-K740 HydrophobicContact CB-CG 4.18Å; F724-K740 HydrophobicContact CD1-CD 3.55Å; F724-K740 VanDerWaalsContact CD1-CE 3.48Å; F724-K740 HydrophobicContact CD1-CG 3.99Å; F724-K740 HydrophobicContact CE1-CD 3.88Å; F724-K740 HydrophobicContact CG-CD 4.14Å; F724-K740 HydrophobicContact CG-CG 4.32Å; D738-K740 VanDerWaalsContact C-N 3.28Å; D738-K740 PolarHBondContact O-N 3.44Å; K740-G742 PolarHBondContact O-N 3.23Å; K740-G742 VanDerWaalsContact O-N 3.12Å; K740-G743 WeakPolarHBondContact O-CA 3.35Å; K740-G743 PolarHBondContact O-N 2.93Å; K740-I746 HydrophobicContact CD-CD1 4.48Å; K740-I746 HydrophobicContact CG-CD1 4.28Å; K740-E755 WeakPolarHBondContact CD-OE1 3.37Å; K740-E755 WeakPolarHBondContact CE-OE1 3.34Å; K740-E755 IonicContact NZ-OE1 3.7Å; K740-E755 PolarHBondContact NZ-OE1 2.96Å; K740-E755 IonicContact NZ-OE2 3.36Å; K740-E755 PolarHBondContact NZ-OE2 3.47Å; K740-L759 HydrophobicContact CB-CD1 4.19Å; K740-L759 HydrophobicContact CD-CD1 4.17Å |
| 741 | L | 93.1 | Very high | 87.9 | Confident | 174 Ų | 174 | 75 Ų | 75 | 91% | 0.911 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 116.1 | -174.1 | -175.9 | 65.9 | 0 | 0 | 0 | 112.5 | G743 | L741-G743 VanDerWaalsContact C-N 3.27Å; L741-G743 PolarHBondContact O-N 2.98Å |
| 742 | G | 92.7 | Very high | 89.1 | Confident | 29 Ų | 29 | 71.5 Ų | 71.5 | 30% | 0.299 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 14.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D738 K740 S744 N745 | D738-G742 VanDerWaalsContact OD2-C 3.23Å; D738-G742 WeakPolarHBondContact OD2-CA 3.48Å; D738-G742 PolarHBondContact OD2-N 3.2Å; K740-G742 PolarHBondContact O-N 3.23Å; K740-G742 VanDerWaalsContact O-N 3.12Å; G742-S744 VanDerWaalsContact C-N 3.26Å; G742-S744 PolarHBondContact O-N 3.48Å; G742-S744 VanDerWaalsContact O-N 3.14Å; G742-N745 WeakPolarHBondContact O-CB 3.28Å; G742-N745 PolarHBondContact O-N 3.32Å; G742-N745 PolarHBondContact O-ND2 3.1Å |
| 743 | G | 92.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -56.7 | -30.1 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | F724 D738 K740 L741 N745 I746 | F724-G743 VanDerWaalsContact C-C 3.49Å; F724-G743 CarbonylContact C-O 3.46Å; F724-G743 WeakPolarHBondContact CA-O 3.45Å; F724-G743 WeakPolarHBondContact CB-O 3.21Å; F724-G743 PolarHBondContact N-O 2.98Å; F724-G743 CarbonylContact O-C 3.56Å; F724-G743 VanDerWaalsContact O-CA 3.31Å; F724-G743 WeakPolarHBondContact O-CA 3.41Å; D738-G743 PolarHBondContact OD2-N 3.45Å; K740-G743 WeakPolarHBondContact O-CA 3.35Å; K740-G743 PolarHBondContact O-N 2.93Å; L741-G743 VanDerWaalsContact C-N 3.27Å; L741-G743 PolarHBondContact O-N 2.98Å; G743-N745 PolarHBondContact O-N 3.5Å; G743-I746 PolarHBondContact O-N 2.69Å |
| 744 | S | 92.1 | Very high | 91.4 | Very high | 52 Ų | 52 | 67.6 Ų | 67.6 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -56 | -17.4 | 169.5 | 39.7 | 0 | 0 | 0 | 0 | 115 | Y723 D738 G742 | Y723-S744 WeakPolarHBondContact CD1-O 3.14Å; D738-S744 WeakPolarHBondContact OD1-CB 3.42Å; D738-S744 PolarHBondContact OD1-N 3.44Å; D738-S744 PolarHBondContact OD1-OG 2.94Å; D738-S744 PolarHBondContact OD2-OG 2.86Å; G742-S744 VanDerWaalsContact C-N 3.26Å; G742-S744 PolarHBondContact O-N 3.48Å; G742-S744 VanDerWaalsContact O-N 3.14Å |
| 745 | N | 93.4 | Very high | 92.2 | Very high | 136 Ų | 136 | 67.5 Ų | 67.5 | 73% | 0.727 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -106 | -5.6 | 176.6 | -54.6 | -91.2 | 0 | 0 | 0 | 112.7 | G742 G743 | G742-N745 WeakPolarHBondContact O-CB 3.28Å; G742-N745 PolarHBondContact O-N 3.32Å; G742-N745 PolarHBondContact O-ND2 3.1Å; G743-N745 PolarHBondContact O-N 3.5Å |
| 746 | I | 95 | Very high | 92.9 | Very high | 58 Ų | 58 | 65 Ų | 65 | 30% | 0.297 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -99.3 | 110.2 | -176.7 | -56.1 | 177.4 | 0 | 0 | 0 | 108.4 | Y723 F724 K740 G743 | Y723-I746 CarbonylContact C-O 3.58Å; Y723-I746 VanDerWaalsContact CA-O 3.25Å; Y723-I746 WeakPolarHBondContact CA-O 3.47Å; Y723-I746 WeakPolarHBondContact CD1-O 3.26Å; F724-I746 HydrophobicContact CB-CB 4.4Å; F724-I746 HydrophobicContact CD2-CB 4.1Å; F724-I746 HydrophobicContact CD2-CG2 3.7Å; F724-I746 WeakPolarHBondContact CD2-O 3.23Å; F724-I746 HydrophobicContact CE2-CG2 4.03Å; F724-I746 HydrophobicContact CG-CG2 4.44Å; F724-I746 PolarHBondContact N-O 3.47Å; K740-I746 HydrophobicContact CD-CD1 4.48Å; K740-I746 HydrophobicContact CG-CD1 4.28Å; G743-I746 PolarHBondContact O-N 2.69Å |
| 747 | L | 94 | Very high | 93.3 | Very high | 76 Ų | 76 | 61.6 Ų | 61.6 | 40% | 0.398 | 32% | 0.322 | S | S | . | . | B | Isolated β-bridge | trans | -67.4 | 140.9 | 177.8 | -170.7 | 75.7 | 0 | 0 | 0 | 110.8 | E721 M722 Y723 T749 N752 | E721-L747 HydrophobicContact CG-CD1 4.1Å; M722-L747 WeakPolarHBondContact O-CD1 3.19Å; Y723-L747 HydrophobicContact CD1-CB 4.5Å; Y723-L747 HydrophobicContact CE1-CB 4.19Å; Y723-L747 HydrophobicContact CE1-CD1 4.01Å; Y723-L747 HydrophobicContact CE2-CD1 4.24Å; L747-T749 HydrophobicContact CD2-CG2 4.3Å; L747-N752 PolarHBondContact O-ND2 3.1Å |
| 748 | V | 94.4 | Very high | 93.6 | Very high | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | trans | -80.7 | 126.2 | 170 | -168.9 | 0 | 0 | 0 | 0 | 109.4 | I715 M722 F724 N752 K753 Y756 | I715-V748 HydrophobicContact CD1-CB 4.22Å; I715-V748 HydrophobicContact CD1-CG1 3.71Å; M722-V748 HydrophobicContact CB-CB 4.19Å; M722-V748 HydrophobicContact CB-CG2 3.97Å; M722-V748 HydrophobicContact CE-CB 4.28Å; M722-V748 HydrophobicContact CE-CG1 4.25Å; M722-V748 PolarHBondContact O-N 3.24Å; F724-V748 HydrophobicContact CD2-CG2 3.95Å; F724-V748 HydrophobicContact CE2-CG2 4.01Å; V748-N752 VanDerWaalsContact CA-OD1 3.27Å; V748-N752 WeakPolarHBondContact CA-OD1 3.36Å; V748-K753 HydrophobicContact CG1-CB 3.95Å; V748-Y756 HydrophobicContact CG1-CD1 4.19Å; V748-Y756 HydrophobicContact CG1-CG 4.01Å; V748-Y756 HydrophobicContact CG2-CD1 4.28Å; V748-Y756 HydrophobicContact CG2-CD2 3.55Å; V748-Y756 HydrophobicContact CG2-CE2 3.93Å; V748-Y756 HydrophobicContact CG2-CG 3.73Å | ||
| 749 | T | 93.2 | Very high | 93.7 | Very high | 31 Ų | 31 | 58.4 Ų | 58.4 | 19% | 0.19 | 32% | 0.317 | C | S | . | . | trans | -126.8 | 169.3 | -178 | 62.1 | 0 | 0 | 0 | 0 | 110.5 | E716 L747 E751 N752 K753 | E716-T749 WeakPolarHBondContact OE1-CB 3.35Å; L747-T749 HydrophobicContact CD2-CG2 4.3Å; T749-E751 PolarHBondContact O-N 3Å; T749-N752 PolarHBondContact N-OD1 3.05Å; T749-N752 PolarHBondContact O-N 3.16Å; T749-N752 VanDerWaalsContact O-N 3.13Å; T749-N752 PolarHBondContact O-OD1 2.97Å; T749-N752 PolarHBondContact OG1-ND2 3.48Å; T749-K753 WeakPolarHBondContact O-CB 3.45Å; T749-K753 PolarHBondContact O-N 3.09Å | ||
| 750 | E | 92.8 | Very high | 93.8 | Very high | 60 Ų | 60 | 57.5 Ų | 57.5 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -31.6 | 175.7 | -74.5 | -65.4 | 104.4 | 0 | 0 | 112.5 | N714 I715 E716 K753 | N714-E750 WeakPolarHBondContact CA-OE1 3.11Å; I715-E750 WeakPolarHBondContact CG1-OE1 3.18Å; I715-E750 PolarHBondContact N-OE1 3.39Å; E716-E750 HydrophobicContact CG-CG 4.24Å; E716-E750 PolarHBondContact OE1-N 2.92Å; E750-K753 WeakPolarHBondContact OE1-CD 3.4Å; E750-K753 IonicContact OE1-NZ 3.53Å; E750-K753 PolarHBondContact OE1-NZ 3.35Å; E750-K753 IonicContact OE2-NZ 3.68Å; E750-K753 PolarHBondContact OE2-NZ 3.1Å |
| 751 | E | 94.4 | Very high | 93.7 | Very high | 192 Ų | 192 | 55.3 Ų | 55.3 | 90% | 0.897 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -25.8 | 178.9 | -60 | -175.2 | 153.8 | 0 | 0 | 114.1 | T749 | T749-E751 PolarHBondContact O-N 3Š|
| 752 | N | 95.1 | Very high | 93.6 | Very high | 32 Ų | 32 | 53.3 Ų | 53.3 | 17% | 0.171 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | -2.4 | -170.9 | 75.5 | 28.8 | 0 | 0 | 0 | 114.7 | F724 L747 V748 T749 D754 E755 Y756 | F724-N752 HydrophobicContact CE2-CB 4.38Å; F724-N752 WeakPolarHBondContact CE2-OD1 3.4Å; F724-N752 HydrophobicContact CZ-CB 4.12Å; L747-N752 PolarHBondContact O-ND2 3.1Å; V748-N752 VanDerWaalsContact CA-OD1 3.27Å; V748-N752 WeakPolarHBondContact CA-OD1 3.36Å; T749-N752 PolarHBondContact N-OD1 3.05Å; T749-N752 PolarHBondContact O-N 3.16Å; T749-N752 VanDerWaalsContact O-N 3.13Å; T749-N752 PolarHBondContact O-OD1 2.97Å; T749-N752 PolarHBondContact OG1-ND2 3.48Å; N752-D754 VanDerWaalsContact C-N 3.27Å; N752-D754 PolarHBondContact O-N 3.18Å; N752-E755 WeakPolarHBondContact O-CB 3.24Å; N752-E755 PolarHBondContact O-N 3.27Å; N752-Y756 PolarHBondContact O-N 3.47Å |
| 753 | K | 94.4 | Very high | 93.5 | Very high | 15 Ų | 15 | 52.7 Ų | 52.7 | 7% | 0.065 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.4 | -31 | -176.4 | 67.8 | -174.6 | -175.2 | -178.9 | 0 | 114.6 | I710 R711 N713 I715 V748 T749 E750 Y756 I757 | I710-K753 HydrophobicContact CG2-CB 4.09Å; I710-K753 WeakPolarHBondContact O-CD 3.43Å; I710-K753 PolarHBondContact O-NZ 3.17Å; R711-K753 PolarHBondContact O-NZ 2.98Å; N713-K753 PolarHBondContact O-NZ 3.05Å; I715-K753 HydrophobicContact CD1-CB 4.22Å; V748-K753 HydrophobicContact CG1-CB 3.95Å; T749-K753 WeakPolarHBondContact O-CB 3.45Å; T749-K753 PolarHBondContact O-N 3.09Å; E750-K753 WeakPolarHBondContact OE1-CD 3.4Å; E750-K753 IonicContact OE1-NZ 3.53Å; E750-K753 PolarHBondContact OE1-NZ 3.35Å; E750-K753 IonicContact OE2-NZ 3.68Å; E750-K753 PolarHBondContact OE2-NZ 3.1Å; K753-Y756 WeakPolarHBondContact O-CB 3.4Å; K753-Y756 PolarHBondContact O-N 3.28Å; K753-I757 WeakPolarHBondContact O-CB 3.46Å; K753-I757 WeakPolarHBondContact O-CD1 3.36Å; K753-I757 WeakPolarHBondContact O-CG1 3.48Å; K753-I757 PolarHBondContact O-N 2.89Å |
| 754 | D | 94.3 | Very high | 93.3 | Very high | 108 Ų | 108 | 53.6 Ų | 53.6 | 58% | 0.578 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -68.7 | -33 | 176.1 | -76.5 | -32.7 | 0 | 0 | 0 | 112.7 | N752 G758 | N752-D754 VanDerWaalsContact C-N 3.27Å; N752-D754 PolarHBondContact O-N 3.18Å; D754-G758 PolarHBondContact O-N 3.01Å |
| 755 | E | 95.8 | Very high | 93.1 | Very high | 88 Ų | 88 | 52.8 Ų | 52.8 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.3 | -45.8 | 171.1 | -170 | -159.8 | 167.2 | 0 | 0 | 110.2 | F724 K740 N752 I757 G758 L759 | F724-E755 HydrophobicContact CE1-CB 4.13Å; F724-E755 HydrophobicContact CE1-CG 3.98Å; F724-E755 HydrophobicContact CZ-CB 4.25Å; F724-E755 HydrophobicContact CZ-CG 4.49Å; K740-E755 WeakPolarHBondContact CD-OE1 3.37Å; K740-E755 WeakPolarHBondContact CE-OE1 3.34Å; K740-E755 IonicContact NZ-OE1 3.7Å; K740-E755 PolarHBondContact NZ-OE1 2.96Å; K740-E755 IonicContact NZ-OE2 3.36Å; K740-E755 PolarHBondContact NZ-OE2 3.47Å; N752-E755 WeakPolarHBondContact O-CB 3.24Å; N752-E755 PolarHBondContact O-N 3.27Å; E755-I757 PolarHBondContact O-N 3.27Å; E755-G758 PolarHBondContact O-N 2.66Å; E755-L759 HydrophobicContact CG-CD1 4.15Å; E755-L759 WeakPolarHBondContact O-CG 3.38Å; E755-L759 PolarHBondContact O-N 3.33Å |
| 756 | Y | 94.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.8 | -45.4 | 175.5 | 175 | -100.3 | 0 | 0 | 0 | 112 | L707 I710 Y723 F724 L739 V748 N752 K753 G758 L759 M760 | L707-Y756 HydrophobicContact CD2-CE1 4.48Å; I710-Y756 HydrophobicContact CD1-CE1 4.13Å; Y723-Y756 WeakPolarHBondContact O-CE2 3.49Å; F724-Y756 HydrophobicContact CD1-CD2 4.3Å; F724-Y756 HydrophobicContact CG-CD2 4.29Å; L739-Y756 HydrophobicContact CD1-CD2 3.75Å; L739-Y756 HydrophobicContact CD1-CE2 3.6Å; V748-Y756 HydrophobicContact CG1-CD1 4.19Å; V748-Y756 HydrophobicContact CG1-CG 4.01Å; V748-Y756 HydrophobicContact CG2-CD1 4.28Å; V748-Y756 HydrophobicContact CG2-CD2 3.55Å; V748-Y756 HydrophobicContact CG2-CE2 3.93Å; V748-Y756 HydrophobicContact CG2-CG 3.73Å; N752-Y756 PolarHBondContact O-N 3.47Å; K753-Y756 WeakPolarHBondContact O-CB 3.4Å; K753-Y756 PolarHBondContact O-N 3.28Å; Y756-G758 PolarHBondContact O-N 3.4Å; Y756-L759 PolarHBondContact O-N 3.31Å; Y756-M760 HydrophobicContact CD1-CG 4.32Å; Y756-M760 HydrophobicContact CD2-CG 4.23Å; Y756-M760 HydrophobicContact CE1-CG 3.89Å; Y756-M760 HydrophobicContact CE2-CG 3.79Å; Y756-M760 HydrophobicContact CE2-SD 4.49Å; Y756-M760 HydrophobicContact CG-CG 4.48Å; Y756-M760 VanDerWaalsContact O-CB 3.28Å; Y756-M760 WeakPolarHBondContact O-CB 3.19Å; Y756-M760 WeakPolarHBondContact O-CG 3.4Å; Y756-M760 PolarHBondContact O-N 2.9Å; Y756-M760 WeakPolarHBondContact OH-CE 3.4Å |
| 757 | I | 94.4 | Very high | 92.3 | Very high | 10 Ų | 10 | 48.3 Ų | 48.3 | 5% | 0.051 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 176.1 | -73.2 | 159 | 0 | 0 | 0 | 111.2 | I693 L707 I710 R711 K753 E755 T761 | I693-I757 HydrophobicContact CD1-CG2 3.73Å; L707-I757 HydrophobicContact CB-CG2 4.46Å; L707-I757 HydrophobicContact CD2-CG1 4.47Å; I710-I757 HydrophobicContact CB-CD1 4.44Å; I710-I757 HydrophobicContact CG2-CD1 3.99Å; I710-I757 HydrophobicContact CG2-CG1 4.19Å; R711-I757 HydrophobicContact CB-CD1 3.67Å; R711-I757 HydrophobicContact CG-CD1 4.17Å; K753-I757 WeakPolarHBondContact O-CB 3.46Å; K753-I757 WeakPolarHBondContact O-CD1 3.36Å; K753-I757 WeakPolarHBondContact O-CG1 3.48Å; K753-I757 PolarHBondContact O-N 2.89Å; E755-I757 PolarHBondContact O-N 3.27Å; I757-T761 WeakPolarHBondContact O-CB 3.5Å; I757-T761 PolarHBondContact O-N 3.42Å; I757-T761 PolarHBondContact O-OG1 3.19Å |
| 758 | G | 93.5 | Very high | 91.8 | Very high | 38 Ų | 38 | 45.8 Ų | 45.8 | 39% | 0.392 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.8 | -52.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D754 E755 Y756 T761 E762 | D754-G758 PolarHBondContact O-N 3.01Å; E755-G758 PolarHBondContact O-N 2.66Å; Y756-G758 PolarHBondContact O-N 3.4Å; G758-T761 WeakPolarHBondContact O-CB 3.24Å; G758-T761 PolarHBondContact O-N 3Å; G758-E762 PolarHBondContact O-N 3.4Å |
| 759 | L | 94.3 | Very high | 91.6 | Very high | 45 Ų | 45 | 46.4 Ų | 46.4 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.5 | -41.5 | 179.5 | -67.1 | 169.5 | 0 | 0 | 0 | 112.3 | F724 L739 K740 E755 Y756 T761 E762 W763 | F724-L759 HydrophobicContact CD1-CD1 3.83Å; F724-L759 HydrophobicContact CE1-CD1 3.95Å; L739-L759 HydrophobicContact CB-CB 4.11Å; L739-L759 HydrophobicContact CB-CD1 4.23Å; L739-L759 HydrophobicContact CD1-CB 4.46Å; K740-L759 HydrophobicContact CB-CD1 4.19Å; K740-L759 HydrophobicContact CD-CD1 4.17Å; E755-L759 HydrophobicContact CG-CD1 4.15Å; E755-L759 WeakPolarHBondContact O-CG 3.38Å; E755-L759 PolarHBondContact O-N 3.33Å; Y756-L759 PolarHBondContact O-N 3.31Å; L759-T761 VanDerWaalsContact C-N 3.31Å; L759-T761 PolarHBondContact O-N 3.48Å; L759-E762 PolarHBondContact O-N 3.18Å; L759-W763 WeakPolarHBondContact O-CB 3.34Å; L759-W763 PolarHBondContact O-N 3.34Å |
| 760 | M | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.1 | -34.7 | 175 | -82.2 | -67.9 | -98 | 0 | 0 | 112.7 | L88 F703 L707 V726 L739 Y756 W763 R764 | L88-M760 HydrophobicContact CD2-CE 3.8Å; F703-M760 HydrophobicContact CE2-CE 3.6Å; F703-M760 HydrophobicContact CZ-CB 4.2Å; F703-M760 HydrophobicContact CZ-CE 3.48Å; F703-M760 VanDerWaalsContact CZ-CE 3.48Å; F703-M760 HydrophobicContact CZ-SD 4.1Å; L707-M760 HydrophobicContact CD1-CB 4.08Å; L707-M760 HydrophobicContact CD2-CB 3.96Å; L707-M760 HydrophobicContact CD2-CG 4.45Å; V726-M760 HydrophobicContact CB-CE 4.24Å; V726-M760 HydrophobicContact CB-SD 3.96Å; V726-M760 HydrophobicContact CG1-SD 4.1Å; V726-M760 HydrophobicContact CG2-CE 3.83Å; V726-M760 HydrophobicContact CG2-SD 4.07Å; L739-M760 HydrophobicContact CD1-CG 3.67Å; L739-M760 HydrophobicContact CD1-SD 3.76Å; L739-M760 HydrophobicContact CD2-SD 4.04Å; L739-M760 HydrophobicContact CG-SD 4.49Å; Y756-M760 HydrophobicContact CD1-CG 4.32Å; Y756-M760 HydrophobicContact CD2-CG 4.23Å; Y756-M760 HydrophobicContact CE1-CG 3.89Å; Y756-M760 HydrophobicContact CE2-CG 3.79Å; Y756-M760 HydrophobicContact CE2-SD 4.49Å; Y756-M760 HydrophobicContact CG-CG 4.48Å; Y756-M760 VanDerWaalsContact O-CB 3.28Å; Y756-M760 WeakPolarHBondContact O-CB 3.19Å; Y756-M760 WeakPolarHBondContact O-CG 3.4Å; Y756-M760 PolarHBondContact O-N 2.9Å; Y756-M760 WeakPolarHBondContact OH-CE 3.4Å; M760-W763 HydrophobicContact SD-CE3 4.21Å; M760-R764 VanDerWaalsContact O-CB 3.23Å; M760-R764 WeakPolarHBondContact O-CB 3.41Å; M760-R764 PolarHBondContact O-N 2.9Å |
| 761 | T | 92.1 | Very high | 91.7 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.5 | -53.9 | 174.1 | -58.9 | 0 | 0 | 0 | 0 | 110.3 | I757 G758 L759 W763 R764 F765 | I757-T761 WeakPolarHBondContact O-CB 3.5Å; I757-T761 PolarHBondContact O-N 3.42Å; I757-T761 PolarHBondContact O-OG1 3.19Å; G758-T761 WeakPolarHBondContact O-CB 3.24Å; G758-T761 PolarHBondContact O-N 3Å; L759-T761 VanDerWaalsContact C-N 3.31Å; L759-T761 PolarHBondContact O-N 3.48Å; T761-W763 VanDerWaalsContact C-N 3.34Å; T761-W763 PolarHBondContact O-N 3.15Å; T761-R764 PolarHBondContact O-N 3.02Å; T761-F765 HydrophobicContact CG2-CD2 3.95Å; T761-F765 HydrophobicContact CG2-CE2 3.87Å; T761-F765 VanDerWaalsContact O-CD2 3.24Å; T761-F765 WeakPolarHBondContact O-CD2 3.48Å; T761-F765 PolarHBondContact O-N 3.15Å; T761-F765 VanDerWaalsContact O-N 3.16Å |
| 762 | E | 90.7 | Very high | 91.7 | Very high | 132 Ų | 132 | 43.7 Ų | 43.7 | 62% | 0.617 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.8 | -40.6 | -179.8 | -177.8 | 165.1 | -176.7 | 0 | 0 | 112.5 | G758 L759 F765 S766 | G758-E762 PolarHBondContact O-N 3.4Å; L759-E762 PolarHBondContact O-N 3.18Å; E762-F765 PolarHBondContact O-N 2.95Å; E762-S766 WeakPolarHBondContact O-CB 3.33Å; E762-S766 PolarHBondContact O-N 2.97Å; E762-S766 PolarHBondContact O-OG 3.21Å |
| 763 | W | 90.2 | Very high | 91.7 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -47.3 | 174.1 | 178.8 | 84.9 | 0 | 0 | 0 | 112.1 | V726 M728 H737 L739 L759 M760 T761 F765 S766 R767 | V726-W763 HydrophobicContact CB-CH2 4.15Å; V726-W763 HydrophobicContact CB-CZ2 4.43Å; V726-W763 HydrophobicContact CB-CZ3 4.29Å; V726-W763 HydrophobicContact CG1-CD2 3.66Å; V726-W763 VanDerWaalsContact CG1-CE2 3.44Å; V726-W763 HydrophobicContact CG1-CE3 3.81Å; V726-W763 HydrophobicContact CG1-CG 4.37Å; V726-W763 HydrophobicContact CG1-CH2 3.53Å; V726-W763 HydrophobicContact CG1-CZ2 3.4Å; V726-W763 HydrophobicContact CG1-CZ3 3.73Å; V726-W763 HydrophobicContact CG2-CE3 4.35Å; V726-W763 HydrophobicContact CG2-CH2 3.5Å; V726-W763 HydrophobicContact CG2-CZ2 4.23Å; V726-W763 HydrophobicContact CG2-CZ3 3.58Å; M728-W763 HydrophobicContact CB-CH2 4.19Å; M728-W763 HydrophobicContact CB-CZ2 3.92Å; M728-W763 HydrophobicContact CG-CZ2 4.43Å; M728-W763 HydrophobicContact SD-CZ2 4.25Å; H737-W763 AromaticContact CD2-NE1 3.92Å; H737-W763 AromaticContact CE1-CD1 3.8Å; H737-W763 AromaticContact CG-NE1 3.58Å; H737-W763 AromaticContact ND1-CD1 3.71Å; H737-W763 AromaticContact ND1-NE1 3.67Å; L739-W763 HydrophobicContact CD2-CB 3.86Å; L739-W763 HydrophobicContact CD2-CD2 4.44Å; L739-W763 HydrophobicContact CD2-CG 3.9Å; L759-W763 WeakPolarHBondContact O-CB 3.34Å; L759-W763 PolarHBondContact O-N 3.34Å; M760-W763 HydrophobicContact SD-CE3 4.21Å; T761-W763 VanDerWaalsContact C-N 3.34Å; T761-W763 PolarHBondContact O-N 3.15Å; W763-F765 PolarHBondContact O-N 3.25Å; W763-S766 PolarHBondContact O-N 2.94Å; W763-S766 VanDerWaalsContact O-N 3.1Å; W763-S766 PolarHBondContact O-OG 3.14Å; W763-R767 HydrophobicContact CD2-CB 4.22Å; W763-R767 VanDerWaalsContact CH2-CD 3.49Å; W763-R767 HydrophobicContact CZ2-CB 4.22Å; W763-R767 WeakPolarHBondContact O-CB 3.15Å; W763-R767 WeakPolarHBondContact O-CG 3.02Å; W763-R767 PolarHBondContact O-N 3.18Å |
| 764 | R | 89 | Confident | 91.8 | Very high | 20 Ų | 20 | 48.5 Ų | 48.5 | 8% | 0.075 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -27.4 | 178.8 | 175.3 | 57.6 | -174.1 | 85.6 | -1.9 | 113.3 | L696 D700 F703 M760 T761 R767 | L696-R764 HydrophobicContact CD1-CB 4.42Å; L696-R764 HydrophobicContact CD1-CG 3.59Å; D700-R764 IonicContact OD2-CZ 3.68Å; D700-R764 VanDerWaalsContact OD2-CZ 3.25Å; D700-R764 IonicContact OD2-NE 3.75Å; D700-R764 PolarHBondContact OD2-NE 2.79Å; D700-R764 IonicContact OD2-NH2 3.64Å; D700-R764 PolarHBondContact OD2-NH2 3.12Å; F703-R764 HydrophobicContact CD1-CB 4.03Å; F703-R764 HydrophobicContact CD1-CG 3.7Å; F703-R764 HydrophobicContact CE1-CB 3.45Å; F703-R764 VanDerWaalsContact CE1-CB 3.45Å; F703-R764 HydrophobicContact CE1-CG 3.68Å; F703-R764 HydrophobicContact CZ-CB 4.08Å; F703-R764 HydrophobicContact CZ-CG 4.47Å; M760-R764 VanDerWaalsContact O-CB 3.23Å; M760-R764 WeakPolarHBondContact O-CB 3.41Å; M760-R764 PolarHBondContact O-N 2.9Å; T761-R764 PolarHBondContact O-N 3.02Å; R764-R767 VanDerWaalsContact CD-CZ 3.47Å |
| 765 | F | 88.2 | Confident | 92 | Very high | 35 Ų | 35 | 44 Ų | 44 | 15% | 0.154 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -81.4 | -29.2 | 174.5 | -85.5 | -64.6 | 0 | 0 | 0 | 114.5 | P681 L691 D695 L696 I699 T761 E762 W763 | P681-F765 HydrophobicContact CB-CD1 4.5Å; P681-F765 HydrophobicContact CB-CE1 3.57Å; P681-F765 HydrophobicContact CB-CZ 4.09Å; P681-F765 HydrophobicContact CG-CE1 4.23Å; P681-F765 HydrophobicContact CG-CZ 4.43Å; L691-F765 HydrophobicContact CB-CD2 3.83Å; L691-F765 HydrophobicContact CB-CE2 3.92Å; L691-F765 HydrophobicContact CB-CG 4.29Å; L691-F765 HydrophobicContact CB-CZ 4.42Å; L691-F765 HydrophobicContact CD1-CB 3.74Å; L691-F765 HydrophobicContact CD1-CD1 3.61Å; L691-F765 HydrophobicContact CD1-CD2 3.95Å; L691-F765 HydrophobicContact CD1-CE1 4.14Å; L691-F765 HydrophobicContact CD1-CE2 4.47Å; L691-F765 HydrophobicContact CD1-CG 3.51Å; D695-F765 HydrophobicContact CB-CE2 4.19Å; D695-F765 HydrophobicContact CB-CZ 3.64Å; L696-F765 HydrophobicContact CB-CE2 4.05Å; L696-F765 HydrophobicContact CB-CZ 4.19Å; I699-F765 HydrophobicContact CD1-CD1 4.48Å; I699-F765 HydrophobicContact CD1-CE1 3.63Å; I699-F765 HydrophobicContact CD1-CZ 4.4Å; T761-F765 HydrophobicContact CG2-CD2 3.95Å; T761-F765 HydrophobicContact CG2-CE2 3.87Å; T761-F765 VanDerWaalsContact O-CD2 3.24Å; T761-F765 WeakPolarHBondContact O-CD2 3.48Å; T761-F765 PolarHBondContact O-N 3.15Å; T761-F765 VanDerWaalsContact O-N 3.16Å; E762-F765 PolarHBondContact O-N 2.95Å; W763-F765 PolarHBondContact O-N 3.25Å |
| 766 | S | 86.2 | Confident | 92 | Very high | 39 Ų | 39 | 39.9 Ų | 39.9 | 27% | 0.273 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -102.3 | -29.8 | -172.7 | 56.5 | 0 | 0 | 0 | 0 | 114.3 | E762 W763 G768 V769 Q770 | E762-S766 WeakPolarHBondContact O-CB 3.33Å; E762-S766 PolarHBondContact O-N 2.97Å; E762-S766 PolarHBondContact O-OG 3.21Å; W763-S766 PolarHBondContact O-N 2.94Å; W763-S766 VanDerWaalsContact O-N 3.1Å; W763-S766 PolarHBondContact O-OG 3.14Å; S766-G768 PolarHBondContact O-N 3.29Å; S766-V769 VanDerWaalsContact O-CG2 3.23Å; S766-V769 WeakPolarHBondContact O-CG2 3.46Å; S766-V769 PolarHBondContact O-N 2.89Å; S766-V769 VanDerWaalsContact O-N 3.13Å; S766-Q770 WeakPolarHBondContact O-CG 3.45Å; S766-Q770 PolarHBondContact O-N 3.33Å; S766-Q770 PolarHBondContact O-NE2 2.78Å; S766-Q770 PolarHBondContact O-OE1 2.91Å |
| 767 | R | 84.9 | Confident | 92.1 | Very high | 60 Ų | 60 | 40.7 Ų | 40.7 | 23% | 0.226 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 120 | -169.2 | 65.5 | -178.1 | -165.9 | 176.2 | 4.3 | 114 | M728 W763 R764 V769 | M728-R767 HydrophobicContact CE-CB 4.1Å; M728-R767 HydrophobicContact CE-CG 3.74Å; M728-R767 HydrophobicContact SD-CB 3.77Å; M728-R767 HydrophobicContact SD-CG 3.91Å; W763-R767 HydrophobicContact CD2-CB 4.22Å; W763-R767 VanDerWaalsContact CH2-CD 3.49Å; W763-R767 HydrophobicContact CZ2-CB 4.22Å; W763-R767 WeakPolarHBondContact O-CB 3.15Å; W763-R767 WeakPolarHBondContact O-CG 3.02Å; W763-R767 PolarHBondContact O-N 3.18Å; R764-R767 VanDerWaalsContact CD-CZ 3.47Å; R767-V769 PolarHBondContact O-N 2.64Å; R767-V769 VanDerWaalsContact O-N 3.09Å |
| 768 | G | 83.1 | Confident | 92.3 | Very high | 24 Ų | 24 | 44 Ų | 44 | 25% | 0.247 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 6.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | P645 S766 Q770 Q772 | P645-G768 WeakPolarHBondContact CA-O 3.37Å; S766-G768 PolarHBondContact O-N 3.29Å; G768-Q770 VanDerWaalsContact N-OE1 3.08Å; G768-Q772 PolarHBondContact O-NE2 2.95Å; G768-Q772 PolarHBondContact O-OE1 3.22Å |
| 769 | V | 91.1 | Very high | 92.5 | Very high | 17 Ų | 17 | 42.2 Ų | 42.2 | 10% | 0.103 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | 5.3 | 179.9 | -58.9 | 0 | 0 | 0 | 0 | 113.1 | I643 P645 S766 R767 Q772 T773 | I643-V769 HydrophobicContact CB-CB 4.16Å; I643-V769 HydrophobicContact CB-CG1 3.94Å; I643-V769 HydrophobicContact CG2-CB 3.91Å; I643-V769 HydrophobicContact CG2-CG1 3.68Å; P645-V769 HydrophobicContact CB-CG1 4.24Å; P645-V769 HydrophobicContact CG-CG1 3.93Å; S766-V769 VanDerWaalsContact O-CG2 3.23Å; S766-V769 WeakPolarHBondContact O-CG2 3.46Å; S766-V769 PolarHBondContact O-N 2.89Å; S766-V769 VanDerWaalsContact O-N 3.13Å; R767-V769 PolarHBondContact O-N 2.64Å; R767-V769 VanDerWaalsContact O-N 3.09Å; V769-Q772 PolarHBondContact O-OE1 3.04Å; V769-T773 VanDerWaalsContact O-CB 3.25Å; V769-T773 WeakPolarHBondContact O-CB 3.19Å; V769-T773 PolarHBondContact O-N 3.43Å; V769-T773 PolarHBondContact O-OG1 2.8Å |
| 770 | Q | 91.4 | Very high | 92.6 | Very high | 100 Ų | 100 | 40 Ų | 40 | 47% | 0.467 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.5 | -46.3 | -174.4 | -61.8 | 96.4 | -26.1 | 0 | 0 | 113 | S766 G768 T773 K774 | S766-Q770 WeakPolarHBondContact O-CG 3.45Å; S766-Q770 PolarHBondContact O-N 3.33Å; S766-Q770 PolarHBondContact O-NE2 2.78Å; S766-Q770 PolarHBondContact O-OE1 2.91Å; G768-Q770 VanDerWaalsContact N-OE1 3.08Å; Q770-T773 PolarHBondContact O-N 2.96Å; Q770-K774 WeakPolarHBondContact O-CB 3.47Å; Q770-K774 PolarHBondContact O-N 3.28Å |
| 771 | E | 95.1 | Very high | 92.7 | Very high | 124 Ų | 124 | 43.7 Ų | 43.7 | 58% | 0.579 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -70.2 | -39.4 | -177.3 | -60.8 | -170.7 | 146.9 | 0 | 0 | 111.7 | L654 K774 A775 | L654-E771 HydrophobicContact CD1-CB 4.44Å; L654-E771 HydrophobicContact CD2-CB 3.94Å; E771-K774 PolarHBondContact O-N 2.81Å; E771-A775 WeakPolarHBondContact O-CB 3.21Å; E771-A775 PolarHBondContact O-N 3.42Å |
| 772 | Q | 95.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -46.4 | 174.8 | -59 | 92 | -34.2 | 0 | 0 | 111.2 | I643 S647 L654 F657 G768 V769 K774 A775 F776 | I643-Q772 HydrophobicContact CD1-CB 4.13Å; I643-Q772 HydrophobicContact CG2-CB 3.69Å; I643-Q772 HydrophobicContact CG2-CG 4Å; S647-Q772 WeakPolarHBondContact OG-CG 3.28Å; S647-Q772 PolarHBondContact OG-NE2 2.94Å; L654-Q772 HydrophobicContact CD2-CG 4.2Å; F657-Q772 HydrophobicContact CD1-CB 4.38Å; F657-Q772 HydrophobicContact CD2-CB 3.61Å; F657-Q772 HydrophobicContact CD2-CG 3.71Å; F657-Q772 HydrophobicContact CE1-CB 4.34Å; F657-Q772 HydrophobicContact CE2-CB 3.58Å; F657-Q772 HydrophobicContact CE2-CG 3.36Å; F657-Q772 HydrophobicContact CG-CB 4.05Å; F657-Q772 HydrophobicContact CZ-CB 3.96Å; F657-Q772 HydrophobicContact CZ-CG 4Å; G768-Q772 PolarHBondContact O-NE2 2.95Å; G768-Q772 PolarHBondContact O-OE1 3.22Å; V769-Q772 PolarHBondContact O-OE1 3.04Å; Q772-K774 VanDerWaalsContact C-N 3.32Å; Q772-K774 PolarHBondContact O-N 2.92Å; Q772-A775 PolarHBondContact O-N 2.87Å; Q772-F776 WeakPolarHBondContact O-CB 3.46Å; Q772-F776 PolarHBondContact O-N 2.72Å |
| 773 | T | 94.9 | Very high | 92.8 | Very high | 15 Ų | 15 | 40.8 Ų | 40.8 | 9% | 0.092 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 174.5 | -58.3 | 0 | 0 | 0 | 0 | 110.3 | R685 V769 Q770 F776 L777 | R685-T773 HydrophobicContact CG-CG2 3.89Å; V769-T773 VanDerWaalsContact O-CB 3.25Å; V769-T773 WeakPolarHBondContact O-CB 3.19Å; V769-T773 PolarHBondContact O-N 3.43Å; V769-T773 PolarHBondContact O-OG1 2.8Å; Q770-T773 PolarHBondContact O-N 2.96Å; T773-F776 PolarHBondContact O-N 2.81Å; T773-L777 HydrophobicContact CG2-CD1 3.96Å; T773-L777 HydrophobicContact CG2-CG 4.44Å; T773-L777 VanDerWaalsContact O-CG 3.27Å; T773-L777 WeakPolarHBondContact O-CG 3.27Å; T773-L777 PolarHBondContact O-N 3.09Å |
| 774 | K | 95.9 | Very high | 93 | Very high | 132 Ų | 132 | 40 Ų | 40 | 57% | 0.574 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -61.8 | -52.1 | 176.9 | -170.2 | -164.2 | 170.5 | -164.8 | 0 | 111.2 | Q770 E771 Q772 F776 L777 D778 | Q770-K774 WeakPolarHBondContact O-CB 3.47Å; Q770-K774 PolarHBondContact O-N 3.28Å; E771-K774 PolarHBondContact O-N 2.81Å; Q772-K774 VanDerWaalsContact C-N 3.32Å; Q772-K774 PolarHBondContact O-N 2.92Å; K774-F776 VanDerWaalsContact C-N 3.27Å; K774-F776 PolarHBondContact O-N 2.81Å; K774-L777 PolarHBondContact O-N 2.88Å; K774-D778 VanDerWaalsContact CE-OD2 3.24Å; K774-D778 WeakPolarHBondContact CE-OD2 3.31Å; K774-D778 IonicContact NZ-OD2 3.87Å; K774-D778 WeakPolarHBondContact O-CB 3.28Å; K774-D778 VanDerWaalsContact O-CG 3.29Å; K774-D778 PolarHBondContact O-N 3.18Å |
| 775 | A | 98.2 | Very high | 93.1 | Very high | 15 Ų | 15 | 40.7 Ų | 40.7 | 12% | 0.124 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.4 | -38.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L654 F657 C658 E771 Q772 G779 | L654-A775 HydrophobicContact CB-CB 4.16Å; L654-A775 HydrophobicContact CD2-CB 4.26Å; F657-A775 HydrophobicContact CB-CB 4.04Å; C658-A775 VanDerWaalsContact CA-O 3.28Å; C658-A775 WeakPolarHBondContact CA-O 3.49Å; E771-A775 WeakPolarHBondContact O-CB 3.21Å; E771-A775 PolarHBondContact O-N 3.42Å; Q772-A775 PolarHBondContact O-N 2.87Å; A775-G779 PolarHBondContact O-N 3.46Å; A775-G779 VanDerWaalsContact O-N 3.09Å |
| 776 | F | 97.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -47.7 | 171.6 | 172.7 | -87.1 | 0 | 0 | 0 | 112.4 | F657 I660 G661 I664 F682 M686 Q772 T773 K774 F780 | F657-F776 HydrophobicContact CB-CB 4.34Å; F657-F776 WeakPolarHBondContact O-CA 3.39Å; I660-F776 HydrophobicContact CB-CD2 4.42Å; I660-F776 HydrophobicContact CG2-CD2 4.09Å; I660-F776 HydrophobicContact CG2-CE2 3.98Å; G661-F776 WeakPolarHBondContact CA-O 3.41Å; I664-F776 HydrophobicContact CB-CE2 4.38Å; I664-F776 HydrophobicContact CB-CZ 4.36Å; I664-F776 HydrophobicContact CG1-CE2 3.99Å; I664-F776 HydrophobicContact CG1-CZ 4.32Å; I664-F776 HydrophobicContact CG2-CZ 4.46Å; F682-F776 AromaticContact CE1-CE1 3.82Å; F682-F776 HydrophobicContact CE1-CE1 3.82Å; F682-F776 HydrophobicContact CE1-CE2 4.35Å; F682-F776 AromaticContact CE1-CZ 3.7Å; F682-F776 HydrophobicContact CE1-CZ 3.7Å; F682-F776 AromaticContact CZ-CD1 3.85Å; F682-F776 HydrophobicContact CZ-CD1 3.85Å; F682-F776 HydrophobicContact CZ-CD2 4.27Å; F682-F776 AromaticContact CZ-CE1 3.57Å; F682-F776 HydrophobicContact CZ-CE1 3.57Å; F682-F776 AromaticContact CZ-CE2 3.99Å; F682-F776 HydrophobicContact CZ-CE2 3.99Å; F682-F776 HydrophobicContact CZ-CG 4.2Å; F682-F776 AromaticContact CZ-CZ 3.64Å; F682-F776 HydrophobicContact CZ-CZ 3.64Å; M686-F776 HydrophobicContact CE-CE1 3.89Å; M686-F776 HydrophobicContact CE-CZ 4.02Å; M686-F776 HydrophobicContact CG-CE1 3.89Å; M686-F776 HydrophobicContact SD-CE1 3.8Å; M686-F776 HydrophobicContact SD-CZ 4Å; Q772-F776 WeakPolarHBondContact O-CB 3.46Å; Q772-F776 PolarHBondContact O-N 2.72Å; T773-F776 PolarHBondContact O-N 2.81Å; K774-F776 VanDerWaalsContact C-N 3.27Å; K774-F776 PolarHBondContact O-N 2.81Å; F776-F780 HydrophobicContact CZ-CD2 4.48Å; F776-F780 VanDerWaalsContact O-CB 3.27Å; F776-F780 WeakPolarHBondContact O-CB 3.37Å; F776-F780 PolarHBondContact O-N 3.42Å |
| 777 | L | 96.2 | Very high | 93.1 | Very high | 21 Ų | 21 | 44.6 Ų | 44.6 | 11% | 0.11 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.7 | -37 | -179.6 | -67.5 | 174.7 | 0 | 0 | 0 | 112.6 | M686 T773 K774 F780 N781 L786 | M686-L777 HydrophobicContact CB-CD2 4.26Å; M686-L777 HydrophobicContact CG-CD2 4.04Å; T773-L777 HydrophobicContact CG2-CD1 3.96Å; T773-L777 HydrophobicContact CG2-CG 4.44Å; T773-L777 VanDerWaalsContact O-CG 3.27Å; T773-L777 WeakPolarHBondContact O-CG 3.27Å; T773-L777 PolarHBondContact O-N 3.09Å; K774-L777 PolarHBondContact O-N 2.88Å; L777-F780 PolarHBondContact O-N 3.36Å; L777-N781 WeakPolarHBondContact O-CB 3.48Å; L777-N781 PolarHBondContact O-N 3.39Å; L777-L786 HydrophobicContact CB-CD1 4.42Å; L777-L786 HydrophobicContact CD2-CD1 4.22Å; L777-L786 HydrophobicContact CD2-CD2 4.38Å |
| 778 | D | 97 | Very high | 93.3 | Very high | 79 Ų | 79 | 43.9 Ų | 43.9 | 42% | 0.422 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.3 | -55.6 | 174.5 | -70.6 | -17.8 | 0 | 0 | 0 | 109.7 | K774 F780 N781 E782 | K774-D778 VanDerWaalsContact CE-OD2 3.24Å; K774-D778 WeakPolarHBondContact CE-OD2 3.31Å; K774-D778 IonicContact NZ-OD2 3.87Å; K774-D778 WeakPolarHBondContact O-CB 3.28Å; K774-D778 VanDerWaalsContact O-CG 3.29Å; K774-D778 PolarHBondContact O-N 3.18Å; D778-F780 VanDerWaalsContact C-N 3.29Å; D778-F780 PolarHBondContact O-N 2.91Å; D778-N781 PolarHBondContact O-N 3.07Å; D778-E782 WeakPolarHBondContact O-CG 3.42Å; D778-E782 PolarHBondContact O-N 3.13Å |
| 779 | G | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.7 | -29.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | C658 R662 A775 | C658-G779 VanDerWaalsContact SG-CA 3.58Å; R662-G779 WeakPolarHBondContact CA-O 3.39Å; R662-G779 WeakPolarHBondContact CG-O 3.32Å; R662-G779 PolarHBondContact N-O 2.71Å; A775-G779 PolarHBondContact O-N 3.46Å; A775-G779 VanDerWaalsContact O-N 3.09Å |
| 780 | F | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67 | -53 | 170.8 | -175.6 | -76.8 | 0 | 0 | 0 | 111.1 | G661 I664 A665 L668 M686 F776 L777 D778 E782 V783 V784 L786 L789 | G661-F780 WeakPolarHBondContact O-CA 3.48Å; I664-F780 HydrophobicContact CB-CD2 4.4Å; I664-F780 HydrophobicContact CG2-CD2 4.35Å; I664-F780 HydrophobicContact CG2-CE2 4.08Å; A665-F780 HydrophobicContact CB-CB 4.43Å; A665-F780 HydrophobicContact CB-CD1 4.3Å; A665-F780 HydrophobicContact CB-CD2 3.67Å; A665-F780 HydrophobicContact CB-CE1 4.44Å; A665-F780 HydrophobicContact CB-CE2 3.84Å; A665-F780 HydrophobicContact CB-CG 3.89Å; A665-F780 HydrophobicContact CB-CZ 4.22Å; A665-F780 WeakPolarHBondContact CB-O 3.32Å; L668-F780 HydrophobicContact CD1-CE2 3.75Å; L668-F780 HydrophobicContact CD1-CZ 3.58Å; M686-F780 HydrophobicContact CE-CD2 3.67Å; M686-F780 HydrophobicContact CE-CE2 3.41Å; M686-F780 VanDerWaalsContact CE-CE2 3.41Å; M686-F780 HydrophobicContact CE-CG 4.37Å; M686-F780 HydrophobicContact CE-CZ 3.93Å; F776-F780 HydrophobicContact CZ-CD2 4.48Å; F776-F780 VanDerWaalsContact O-CB 3.27Å; F776-F780 WeakPolarHBondContact O-CB 3.37Å; F776-F780 PolarHBondContact O-N 3.42Å; L777-F780 PolarHBondContact O-N 3.36Å; D778-F780 VanDerWaalsContact C-N 3.29Å; D778-F780 PolarHBondContact O-N 2.91Å; F780-E782 VanDerWaalsContact C-N 3.28Å; F780-E782 PolarHBondContact O-N 2.89Å; F780-V783 PolarHBondContact O-N 3.19Å; F780-V784 WeakPolarHBondContact CD1-O 3.45Å; F780-V784 HydrophobicContact CE1-CB 3.92Å; F780-V784 HydrophobicContact CE1-CG1 4.02Å; F780-V784 VanDerWaalsContact CE1-O 3.28Å; F780-V784 WeakPolarHBondContact CE1-O 3.39Å; F780-V784 HydrophobicContact CZ-CB 4.24Å; F780-V784 HydrophobicContact CZ-CG1 4.29Å; F780-V784 PolarHBondContact O-N 2.91Å; F780-L786 HydrophobicContact CD1-CD2 3.47Å; F780-L786 VanDerWaalsContact CD1-CD2 3.47Å; F780-L786 HydrophobicContact CD1-CG 4.08Å; F780-L786 HydrophobicContact CE1-CD2 3.62Å; F780-L786 HydrophobicContact CE1-CG 4.42Å; F780-L786 HydrophobicContact CG-CD2 4.39Å; F780-L789 HydrophobicContact CE1-CD1 3.99Å; F780-L789 HydrophobicContact CZ-CD1 3.81Å |
| 781 | N | 94.2 | Very high | 92.9 | Very high | 76 Ų | 76 | 42.7 Ų | 42.7 | 41% | 0.406 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.5 | -29.2 | -173.9 | -171.9 | 73.3 | 0 | 0 | 0 | 112.9 | L777 D778 V783 V784 P785 L786 | L777-N781 WeakPolarHBondContact O-CB 3.48Å; L777-N781 PolarHBondContact O-N 3.39Å; D778-N781 PolarHBondContact O-N 3.07Å; N781-V783 PolarHBondContact O-N 3.42Å; N781-V784 WeakPolarHBondContact CA-O 3.19Å; N781-P785 WeakPolarHBondContact OD1-CA 3.14Å; N781-L786 HydrophobicContact CB-CD1 4.3Å; N781-L786 HydrophobicContact CB-CG 4.24Å; N781-L786 PolarHBondContact OD1-N 2.9Å |
| 782 | E | 92.9 | Very high | 92.5 | Very high | 79 Ų | 79 | 37.2 Ų | 37.2 | 37% | 0.369 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -54.1 | -37.1 | 168.5 | -80.3 | -173.7 | 159.9 | 0 | 0 | 113.1 | P589 R593 R662 D778 F780 | P589-E782 HydrophobicContact CB-CB 3.78Å; P589-E782 HydrophobicContact CG-CB 3.83Å; P589-E782 HydrophobicContact CG-CG 4.04Å; P589-E782 WeakPolarHBondContact CG-OE2 3.35Å; R593-E782 PolarHBondContact NH2-O 3.12Å; R593-E782 VanDerWaalsContact NH2-O 3.09Å; R662-E782 IonicContact CZ-OE2 3.95Å; R662-E782 IonicContact NE-OE2 3.3Å; R662-E782 PolarHBondContact NE-OE2 3.25Å; R662-E782 IonicContact NH2-OE1 2.74Å; R662-E782 IonicContact NH2-OE2 3.77Å; R662-E782 PolarHBondContact NH2-OE2 3.02Å; D778-E782 WeakPolarHBondContact O-CG 3.42Å; D778-E782 PolarHBondContact O-N 3.13Å; F780-E782 VanDerWaalsContact C-N 3.28Å; F780-E782 PolarHBondContact O-N 2.89Å |
| 783 | V | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -100.3 | -48.7 | -175.4 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | P589 L592 R593 R662 A665 M666 F780 N781 | P589-V783 HydrophobicContact CB-CG2 4.35Å; L592-V783 HydrophobicContact CB-CG1 4.45Å; L592-V783 HydrophobicContact CB-CG2 4.35Å; L592-V783 HydrophobicContact CD1-CG2 3.76Å; R593-V783 PolarHBondContact NE-O 3.24Å; R593-V783 PolarHBondContact NH2-O 3.34Å; R593-V783 VanDerWaalsContact NH2-O 3.1Å; R662-V783 HydrophobicContact CB-CG2 4.18Å; R662-V783 HydrophobicContact CG-CG2 3.98Å; A665-V783 HydrophobicContact CB-CB 3.73Å; A665-V783 HydrophobicContact CB-CG1 4.03Å; M666-V783 HydrophobicContact CG-CG1 4.08Å; F780-V783 PolarHBondContact O-N 3.19Å; N781-V783 PolarHBondContact O-N 3.42Å |
| 784 | V | 92.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -123.9 | 110.2 | 174.6 | 173.7 | 0 | 0 | 0 | 0 | 108.3 | F554 A665 F669 F780 N781 L786 W788 | F554-V784 HydrophobicContact CE2-CG1 3.93Å; F554-V784 HydrophobicContact CZ-CG1 4.06Å; A665-V784 HydrophobicContact CB-CB 4.02Å; A665-V784 HydrophobicContact CB-CG2 3.98Å; A665-V784 VanDerWaalsContact O-CG2 3.28Å; A665-V784 WeakPolarHBondContact O-CG2 3.41Å; F669-V784 HydrophobicContact CB-CG2 3.85Å; F669-V784 HydrophobicContact CD2-CG2 4.08Å; F669-V784 HydrophobicContact CG-CG2 4.46Å; F780-V784 WeakPolarHBondContact CD1-O 3.45Å; F780-V784 HydrophobicContact CE1-CB 3.92Å; F780-V784 HydrophobicContact CE1-CG1 4.02Å; F780-V784 VanDerWaalsContact CE1-O 3.28Å; F780-V784 WeakPolarHBondContact CE1-O 3.39Å; F780-V784 HydrophobicContact CZ-CB 4.24Å; F780-V784 HydrophobicContact CZ-CG1 4.29Å; F780-V784 PolarHBondContact O-N 2.91Å; N781-V784 WeakPolarHBondContact CA-O 3.19Å; V784-L786 PolarHBondContact O-N 2.81Å; V784-W788 HydrophobicContact CG1-CE3 4.13Å |
| 785 | P | 91.1 | Very high | 91.5 | Very high | 34 Ų | 34 | 31.3 Ų | 31.3 | 22% | 0.221 | 16% | 0.156 | C | C | . | . | trans | -55.8 | 128.7 | 176.4 | -26.4 | 35.2 | 0 | 0 | 0 | 111.6 | N781 Q787 W788 | N781-P785 WeakPolarHBondContact OD1-CA 3.14Å; P785-Q787 PolarHBondContact O-N 2.74Å; P785-Q787 VanDerWaalsContact O-N 3.1Å; P785-W788 HydrophobicContact CB-CD2 4.48Å; P785-W788 HydrophobicContact CB-CG 4.39Å; P785-W788 HydrophobicContact CG-CD2 4.3Å; P785-W788 HydrophobicContact CG-CZ2 4.07Å; P785-W788 WeakPolarHBondContact O-CB 3.5Å; P785-W788 PolarHBondContact O-N 2.84Å | ||
| 786 | L | 88.7 | Confident | 91.1 | Very high | 39 Ų | 39 | 30.7 Ų | 30.7 | 20% | 0.204 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -58.5 | -27.8 | -178.6 | -70.7 | 168.1 | 0 | 0 | 0 | 112.2 | L777 F780 N781 V784 W788 L789 | L777-L786 HydrophobicContact CB-CD1 4.42Å; L777-L786 HydrophobicContact CD2-CD1 4.22Å; L777-L786 HydrophobicContact CD2-CD2 4.38Å; F780-L786 HydrophobicContact CD1-CD2 3.47Å; F780-L786 VanDerWaalsContact CD1-CD2 3.47Å; F780-L786 HydrophobicContact CD1-CG 4.08Å; F780-L786 HydrophobicContact CE1-CD2 3.62Å; F780-L786 HydrophobicContact CE1-CG 4.42Å; F780-L786 HydrophobicContact CG-CD2 4.39Å; N781-L786 HydrophobicContact CB-CD1 4.3Å; N781-L786 HydrophobicContact CB-CG 4.24Å; N781-L786 PolarHBondContact OD1-N 2.9Å; V784-L786 PolarHBondContact O-N 2.81Å; L786-W788 PolarHBondContact O-N 2.92Å; L786-L789 WeakPolarHBondContact O-CB 3.28Å; L786-L789 PolarHBondContact O-N 2.86Å |
| 787 | Q | 87.1 | Confident | 90.8 | Very high | 117 Ų | 117 | 30.6 Ų | 30.6 | 55% | 0.547 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -55.9 | -33.6 | 173.8 | -170.5 | 62.1 | 20.7 | 0 | 0 | 113.3 | P785 L789 Q790 | P785-Q787 PolarHBondContact O-N 2.74Å; P785-Q787 VanDerWaalsContact O-N 3.1Å; Q787-L789 PolarHBondContact O-N 2.84Å; Q787-L789 VanDerWaalsContact O-N 3.15Å; Q787-Q790 WeakPolarHBondContact O-CB 3.42Å; Q787-Q790 VanDerWaalsContact O-CG 3.31Å; Q787-Q790 WeakPolarHBondContact O-CG 3.37Å; Q787-Q790 PolarHBondContact O-N 2.9Å; Q787-Q790 VanDerWaalsContact O-N 3.15Å |
| 788 | W | 87.4 | Confident | 90.6 | Very high | 46 Ų | 46 | 29.6 Ų | 29.6 | 17% | 0.174 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -68 | -11.8 | 176.9 | -62.8 | -2.7 | 0 | 0 | 0 | 113.1 | F554 L557 N561 F669 V784 P785 L786 | F554-W788 HydrophobicContact CD2-CB 4.21Å; F554-W788 HydrophobicContact CE2-CB 4.17Å; F554-W788 HydrophobicContact CE2-CE3 4.42Å; L557-W788 HydrophobicContact CB-CD2 4.16Å; L557-W788 HydrophobicContact CB-CE3 4.06Å; L557-W788 HydrophobicContact CB-CZ3 4.34Å; L557-W788 HydrophobicContact CD1-CB 4.05Å; L557-W788 HydrophobicContact CD1-CD2 4.19Å; L557-W788 HydrophobicContact CD1-CG 3.86Å; N561-W788 HydrophobicContact CB-CH2 3.71Å; N561-W788 HydrophobicContact CB-CZ2 4.46Å; F669-W788 HydrophobicContact CD2-CZ3 4.39Å; F669-W788 HydrophobicContact CE2-CZ3 4.24Å; V784-W788 HydrophobicContact CG1-CE3 4.13Å; P785-W788 HydrophobicContact CB-CD2 4.48Å; P785-W788 HydrophobicContact CB-CG 4.39Å; P785-W788 HydrophobicContact CG-CD2 4.3Å; P785-W788 HydrophobicContact CG-CZ2 4.07Å; P785-W788 WeakPolarHBondContact O-CB 3.5Å; P785-W788 PolarHBondContact O-N 2.84Å; L786-W788 PolarHBondContact O-N 2.92Å |
| 789 | L | 89.9 | Confident | 90.2 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -97.8 | 0.1 | 176.5 | -58.9 | -179.4 | 0 | 0 | 0 | 113.7 | F554 L687 F780 L786 Q787 Y791 F792 L797 M800 | F554-L789 HydrophobicContact CD2-CD2 3.94Å; F554-L789 HydrophobicContact CE2-CD2 3.57Å; F554-L789 HydrophobicContact CZ-CD2 4.2Å; L687-L789 HydrophobicContact CD2-CB 3.69Å; L687-L789 WeakPolarHBondContact CD2-O 3.36Å; F780-L789 HydrophobicContact CE1-CD1 3.99Å; F780-L789 HydrophobicContact CZ-CD1 3.81Å; L786-L789 WeakPolarHBondContact O-CB 3.28Å; L786-L789 PolarHBondContact O-N 2.86Å; Q787-L789 PolarHBondContact O-N 2.84Å; Q787-L789 VanDerWaalsContact O-N 3.15Å; L789-Y791 PolarHBondContact O-N 2.68Å; L789-F792 HydrophobicContact CB-CD2 4.47Å; L789-F792 HydrophobicContact CD2-CD2 4.07Å; L789-F792 HydrophobicContact CD2-CE2 4.28Å; L789-F792 PolarHBondContact O-N 3.13Å; L789-L797 HydrophobicContact CD1-CD1 3.96Å; L789-L797 HydrophobicContact CD1-CD2 4.38Å; L789-L797 HydrophobicContact CD2-CD1 4.36Å; L789-M800 HydrophobicContact CD2-CE 4.33Å |
| 790 | Q | 84.6 | Confident | 89.8 | Confident | 86 Ų | 86 | 26.2 Ų | 26.2 | 40% | 0.402 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -29.8 | -171.8 | 69.2 | 177.7 | -27.1 | 0 | 0 | 114.9 | E500 Q787 | E500-Q790 PolarHBondContact OE1-NE2 3.25Å; Q787-Q790 WeakPolarHBondContact O-CB 3.42Å; Q787-Q790 VanDerWaalsContact O-CG 3.31Å; Q787-Q790 WeakPolarHBondContact O-CG 3.37Å; Q787-Q790 PolarHBondContact O-N 2.9Å; Q787-Q790 VanDerWaalsContact O-N 3.15Å |
| 791 | Y | 82.6 | Confident | 89.5 | Confident | 29 Ų | 29 | 26.2 Ų | 26.2 | 11% | 0.114 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -10.5 | -179.2 | -62.1 | -58.6 | 0 | 0 | 0 | 114.1 | G501 H517 N518 K550 L789 | G501-Y791 VanDerWaalsContact CA-OH 3.32Å; G501-Y791 WeakPolarHBondContact CA-OH 3.38Å; G501-Y791 PolarHBondContact N-OH 2.98Å; H517-Y791 HydrophobicContact CB-CD1 4.03Å; H517-Y791 HydrophobicContact CB-CE1 4.37Å; N518-Y791 WeakPolarHBondContact OD1-CE1 3.34Å; N518-Y791 PolarHBondContact OD1-OH 3.4Å; K550-Y791 WeakPolarHBondContact CD-O 3.4Å; K550-Y791 WeakPolarHBondContact CE-O 3.1Å; K550-Y791 PolarHBondContact NZ-O 3.49Å; L789-Y791 PolarHBondContact O-N 2.68Å |
| 792 | F | 87.8 | Confident | 89.3 | Confident | 8 Ų | 8 | 22.6 Ų | 22.6 | 4% | 0.035 | 11% | 0.107 | C | C | . | . | trans | -91.8 | 149.3 | -175.1 | -65 | -84 | 0 | 0 | 0 | 113.2 | F547 K550 F554 L789 E796 M800 | F547-F792 HydrophobicContact CD2-CD1 4.36Å; F547-F792 HydrophobicContact CD2-CE1 4.18Å; F547-F792 HydrophobicContact CE2-CD1 4.41Å; F547-F792 HydrophobicContact CE2-CE1 4.15Å; K550-F792 VanDerWaalsContact C-CZ 3.46Å; K550-F792 HydrophobicContact CB-CD1 4.02Å; K550-F792 HydrophobicContact CB-CE1 3.39Å; K550-F792 HydrophobicContact CB-CE2 4.35Å; K550-F792 HydrophobicContact CB-CZ 3.61Å; K550-F792 HydrophobicContact CD-CD1 3.99Å; K550-F792 HydrophobicContact CD-CE1 4.2Å; K550-F792 HydrophobicContact CG-CE1 4.46Å; K550-F792 WeakPolarHBondContact O-CZ 3.07Å; F554-F792 HydrophobicContact CB-CE2 3.93Å; F554-F792 HydrophobicContact CB-CZ 3.82Å; F554-F792 HydrophobicContact CD2-CE2 4.27Å; F554-F792 HydrophobicContact CG-CE2 4.24Å; F554-F792 HydrophobicContact CG-CZ 4.36Å; L789-F792 HydrophobicContact CB-CD2 4.47Å; L789-F792 HydrophobicContact CD2-CD2 4.07Å; L789-F792 HydrophobicContact CD2-CE2 4.28Å; L789-F792 PolarHBondContact O-N 3.13Å; F792-E796 WeakPolarHBondContact CA-OE2 3.29Å; F792-E796 HydrophobicContact CB-CB 4.31Å; F792-E796 HydrophobicContact CD1-CB 3.85Å; F792-M800 HydrophobicContact CD1-SD 3.53Å; F792-M800 VanDerWaalsContact CD1-SD 3.53Å; F792-M800 HydrophobicContact CD2-CE 4.49Å; F792-M800 HydrophobicContact CD2-SD 4.22Å; F792-M800 HydrophobicContact CE1-CE 3.9Å; F792-M800 HydrophobicContact CE1-SD 3.36Å; F792-M800 WeakPolarHBondContact CE1-SD 3.27Å; F792-M800 HydrophobicContact CE2-CE 3.89Å; F792-M800 HydrophobicContact CE2-SD 4.09Å; F792-M800 HydrophobicContact CG-SD 3.94Å; F792-M800 HydrophobicContact CZ-CE 3.52Å; F792-M800 HydrophobicContact CZ-SD 3.64Å | ||
| 793 | D | 88.7 | Confident | 88.9 | Confident | 13 Ų | 13 | 18.9 Ų | 18.9 | 7% | 0.07 | 9% | 0.09 | C | C | . | . | trans | -93.8 | 165.3 | 165.5 | 71.8 | 56.9 | 0 | 0 | 0 | 112.5 | R545 L687 K795 E796 L797 R845 | R545-D793 IonicContact NE-OD2 2.85Å; L687-D793 VanDerWaalsContact CD1-C 3.47Å; D793-K795 PolarHBondContact O-N 2.87Å; D793-K795 WeakPolarHBondContact OD1-CA 3.12Å; D793-K795 VanDerWaalsContact OD1-CB 3.25Å; D793-K795 WeakPolarHBondContact OD1-CB 3.35Å; D793-K795 PolarHBondContact OD1-N 2.87Å; D793-E796 PolarHBondContact N-OE2 3.43Å; D793-E796 PolarHBondContact O-N 3.04Å; D793-E796 VanDerWaalsContact O-N 3.14Å; D793-E796 WeakPolarHBondContact OD1-CG 3.37Å; D793-E796 PolarHBondContact OD1-N 2.73Å; D793-E796 VanDerWaalsContact OD2-CD 3.29Å; D793-E796 WeakPolarHBondContact OD2-CG 3.27Å; D793-L797 PolarHBondContact O-N 2.94Å; D793-R845 IonicContact OD1-NH1 3.39Å; D793-R845 PolarHBondContact OD1-NH1 3.5Å; D793-R845 IonicContact OD2-CZ 2.77Å; D793-R845 IonicContact OD2-NH1 2.72Å; D793-R845 PolarHBondContact OD2-NH1 2.78Å; D793-R845 VanDerWaalsContact OD2-NH1 3.14Å; D793-R845 IonicContact OD2-NH2 3.77Å; D793-R845 PolarHBondContact OD2-NH2 2.98Å; D793-R845 VanDerWaalsContact OD2-NH2 3.15Å | ||
| 794 | E | 89.4 | Confident | 88.4 | Confident | 10 Ų | 10 | 19.2 Ų | 19.2 | 5% | 0.047 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.5 | -27.3 | -176.2 | 55 | -93.7 | -136.2 | 0 | 0 | 113.8 | K684 L687 K689 E798 | K684-E794 HydrophobicContact CD-CG 4.04Å; K684-E794 WeakPolarHBondContact CD-OE1 3.21Å; K684-E794 WeakPolarHBondContact CE-OE1 3.05Å; K684-E794 HydrophobicContact CG-CB 3.53Å; K684-E794 VanDerWaalsContact CG-CD 3.41Å; K684-E794 HydrophobicContact CG-CG 3.56Å; K684-E794 WeakPolarHBondContact CG-OE1 3.32Å; K684-E794 IonicContact NZ-OE1 3.75Å; K684-E794 PolarHBondContact NZ-OE1 3.37Å; L687-E794 HydrophobicContact CD1-CB 4.33Å; K689-E794 WeakPolarHBondContact CD-OE2 3.39Å; K689-E794 WeakPolarHBondContact CE-OE2 3.3Å; K689-E794 IonicContact NZ-OE2 3.89Å; K689-E794 PolarHBondContact NZ-OE2 3.19Å; E794-E798 PolarHBondContact O-N 3.14Å |
| 795 | K | 88.2 | Confident | 88 | Confident | 4 Ų | 4 | 21.2 Ų | 21.2 | 2% | 0.017 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -80 | -38.6 | 175.2 | -70.2 | 170.5 | 174.1 | 167.2 | 0 | 110.9 | L680 D793 E798 V799 R845 Q848 I913 T916 | L680-K795 HydrophobicContact CD1-CG 4.5Å; L680-K795 HydrophobicContact CD2-CG 4.27Å; D793-K795 PolarHBondContact O-N 2.87Å; D793-K795 WeakPolarHBondContact OD1-CA 3.12Å; D793-K795 VanDerWaalsContact OD1-CB 3.25Å; D793-K795 WeakPolarHBondContact OD1-CB 3.35Å; D793-K795 PolarHBondContact OD1-N 2.87Å; K795-E798 PolarHBondContact O-N 3.18Å; K795-V799 WeakPolarHBondContact O-CG2 3.38Å; K795-V799 PolarHBondContact O-N 3.4Å; K795-V799 VanDerWaalsContact O-N 3.07Å; K795-R845 VanDerWaalsContact CB-NH1 3.3Å; K795-Q848 HydrophobicContact CD-CB 4.16Å; K795-Q848 HydrophobicContact CG-CB 4.11Å; K795-Q848 PolarHBondContact O-NE2 2.84Å; K795-I913 PolarHBondContact NZ-O 2.76Å; K795-T916 PolarHBondContact NZ-OG1 3.19Å |
| 796 | E | 89.4 | Confident | 87.7 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 173.7 | -68.8 | 171.3 | 151.8 | 0 | 0 | 110.7 | F547 K550 F792 D793 E798 V799 M800 R845 | F547-E796 HydrophobicContact CB-CG 4.45Å; F547-E796 HydrophobicContact CD2-CB 3.76Å; F547-E796 HydrophobicContact CD2-CG 3.54Å; F547-E796 HydrophobicContact CE2-CB 3.8Å; F547-E796 HydrophobicContact CE2-CG 4.09Å; F547-E796 HydrophobicContact CG-CG 4.19Å; K550-E796 IonicContact NZ-OE1 3.98Å; K550-E796 PolarHBondContact NZ-OE1 2.9Å; K550-E796 IonicContact NZ-OE2 2.69Å; K550-E796 PolarHBondContact NZ-OE2 2.84Å; F792-E796 WeakPolarHBondContact CA-OE2 3.29Å; F792-E796 HydrophobicContact CB-CB 4.31Å; F792-E796 HydrophobicContact CD1-CB 3.85Å; D793-E796 PolarHBondContact N-OE2 3.43Å; D793-E796 PolarHBondContact O-N 3.04Å; D793-E796 VanDerWaalsContact O-N 3.14Å; D793-E796 WeakPolarHBondContact OD1-CG 3.37Å; D793-E796 PolarHBondContact OD1-N 2.73Å; D793-E796 VanDerWaalsContact OD2-CD 3.29Å; D793-E796 WeakPolarHBondContact OD2-CG 3.27Å; E796-E798 VanDerWaalsContact C-N 3.35Å; E796-E798 PolarHBondContact O-N 2.93Å; E796-V799 PolarHBondContact O-N 3.02Å; E796-V799 VanDerWaalsContact O-N 3.14Å; E796-M800 VanDerWaalsContact O-CG 3.26Å; E796-M800 WeakPolarHBondContact O-CG 3.42Å; E796-M800 PolarHBondContact O-N 2.69Å; E796-R845 IonicContact OE1-NH2 3.65Å; E796-R845 PolarHBondContact OE1-NH2 2.96Å; E796-R845 VanDerWaalsContact OE1-NH2 3.15Å |
| 797 | L | 91.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.1 | -38.8 | 177.1 | -175.6 | 58.1 | 0 | 0 | 0 | 112.3 | L668 Y683 M686 L687 L789 D793 M800 L801 | L668-L797 HydrophobicContact CD1-CD1 3.91Å; L668-L797 HydrophobicContact CD2-CD1 4.3Å; Y683-L797 HydrophobicContact CD1-CD2 3.86Å; Y683-L797 HydrophobicContact CD1-CG 3.92Å; Y683-L797 HydrophobicContact CG-CD2 4.4Å; Y683-L797 HydrophobicContact CG-CG 4.48Å; M686-L797 HydrophobicContact CB-CD2 4.29Å; M686-L797 HydrophobicContact CE-CD2 4.31Å; M686-L797 HydrophobicContact SD-CD2 4.29Å; L687-L797 HydrophobicContact CD1-CB 4.37Å; L687-L797 HydrophobicContact CD1-CD2 4.16Å; L687-L797 HydrophobicContact CD2-CD2 4.08Å; L687-L797 HydrophobicContact CG-CD2 3.89Å; L789-L797 HydrophobicContact CD1-CD1 3.96Å; L789-L797 HydrophobicContact CD1-CD2 4.38Å; L789-L797 HydrophobicContact CD2-CD1 4.36Å; D793-L797 PolarHBondContact O-N 2.94Å; L797-M800 PolarHBondContact O-N 3.09Å; L797-L801 HydrophobicContact CD1-CD1 4.46Å; L797-L801 HydrophobicContact CG-CD1 4.49Å; L797-L801 PolarHBondContact O-N 2.84Å |
| 798 | E | 91 | Very high | 87.8 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.2 | -47.2 | 170.7 | -169.8 | -161.8 | -177.2 | 0 | 0 | 111.3 | L680 Y683 E794 K795 E796 M800 L801 C802 Q848 T853 C854 | L680-E798 HydrophobicContact CD2-CB 4.45Å; Y683-E798 HydrophobicContact CD2-CB 4.02Å; Y683-E798 HydrophobicContact CD2-CG 4.46Å; Y683-E798 HydrophobicContact CE2-CB 3.75Å; Y683-E798 HydrophobicContact CE2-CG 3.77Å; E794-E798 PolarHBondContact O-N 3.14Å; K795-E798 PolarHBondContact O-N 3.18Å; E796-E798 VanDerWaalsContact C-N 3.35Å; E796-E798 PolarHBondContact O-N 2.93Å; E798-M800 PolarHBondContact O-N 3.26Å; E798-L801 PolarHBondContact O-N 3.42Å; E798-C802 WeakPolarHBondContact O-CB 3.47Å; E798-C802 PolarHBondContact O-N 2.83Å; E798-C802 PolarHBondContact O-SG 3Å; E798-C802 VanDerWaalsContact O-SG 3.38Å; E798-Q848 PolarHBondContact OE2-NE2 2.97Å; E798-T853 WeakPolarHBondContact OE1-CA 3.35Å; E798-T853 VanDerWaalsContact OE1-CB 3.31Å; E798-T853 WeakPolarHBondContact OE1-CB 3.27Å; E798-T853 PolarHBondContact OE1-OG1 3.25Å; E798-T853 WeakPolarHBondContact OE2-CA 3.46Å; E798-C854 VanDerWaalsContact CD-N 3.27Å; E798-C854 PolarHBondContact OE1-N 3.45Å; E798-C854 PolarHBondContact OE1-SG 2.77Å; E798-C854 VanDerWaalsContact OE1-SG 3.33Å; E798-C854 PolarHBondContact OE2-N 3.18Å |
| 799 | V | 89.1 | Confident | 88.2 | Confident | 7 Ų | 7 | 23.3 Ų | 23.3 | 4% | 0.042 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.6 | -34.4 | -179.8 | 170.6 | 0 | 0 | 0 | 0 | 112.2 | L442 F547 K795 E796 L801 G803 M804 C854 | L442-V799 HydrophobicContact CD2-CG1 3.94Å; F547-V799 HydrophobicContact CE1-CG1 3.88Å; F547-V799 HydrophobicContact CZ-CB 4.32Å; F547-V799 HydrophobicContact CZ-CG1 3.81Å; K795-V799 WeakPolarHBondContact O-CG2 3.38Å; K795-V799 PolarHBondContact O-N 3.4Å; K795-V799 VanDerWaalsContact O-N 3.07Å; E796-V799 PolarHBondContact O-N 3.02Å; E796-V799 VanDerWaalsContact O-N 3.14Å; V799-L801 VanDerWaalsContact C-N 3.27Å; V799-L801 PolarHBondContact O-N 3.27Å; V799-G803 VanDerWaalsContact O-CA 3.3Å; V799-G803 WeakPolarHBondContact O-CA 3.21Å; V799-G803 PolarHBondContact O-N 3.5Å; V799-M804 HydrophobicContact CG1-CG 3.63Å; V799-C854 HydrophobicContact CG2-CB 3.85Å |
| 800 | M | 89.8 | Confident | 88.4 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63 | -33 | 173.5 | -70.9 | 170.1 | 80.4 | 0 | 0 | 112.7 | F547 L551 F554 L668 L789 F792 E796 L797 E798 | F547-M800 HydrophobicContact CE2-CG 3.85Å; F547-M800 HydrophobicContact CE2-SD 4.45Å; F547-M800 HydrophobicContact CZ-CG 4.1Å; L551-M800 HydrophobicContact CD1-CE 4.18Å; L551-M800 HydrophobicContact CD1-CG 4.28Å; F554-M800 HydrophobicContact CB-CE 4.34Å; F554-M800 HydrophobicContact CD1-CE 3.46Å; F554-M800 VanDerWaalsContact CD1-CE 3.46Å; F554-M800 HydrophobicContact CD2-CE 4.31Å; F554-M800 HydrophobicContact CE1-CE 3.77Å; F554-M800 HydrophobicContact CG-CE 3.76Å; F554-M800 HydrophobicContact CZ-CE 4.33Å; L668-M800 HydrophobicContact CD2-CB 3.64Å; L668-M800 HydrophobicContact CD2-CE 4.14Å; L789-M800 HydrophobicContact CD2-CE 4.33Å; F792-M800 HydrophobicContact CD1-SD 3.53Å; F792-M800 VanDerWaalsContact CD1-SD 3.53Å; F792-M800 HydrophobicContact CD2-CE 4.49Å; F792-M800 HydrophobicContact CD2-SD 4.22Å; F792-M800 HydrophobicContact CE1-CE 3.9Å; F792-M800 HydrophobicContact CE1-SD 3.36Å; F792-M800 WeakPolarHBondContact CE1-SD 3.27Å; F792-M800 HydrophobicContact CE2-CE 3.89Å; F792-M800 HydrophobicContact CE2-SD 4.09Å; F792-M800 HydrophobicContact CG-SD 3.94Å; F792-M800 HydrophobicContact CZ-CE 3.52Å; F792-M800 HydrophobicContact CZ-SD 3.64Å; E796-M800 VanDerWaalsContact O-CG 3.26Å; E796-M800 WeakPolarHBondContact O-CG 3.42Å; E796-M800 PolarHBondContact O-N 2.69Å; L797-M800 PolarHBondContact O-N 3.09Å; E798-M800 PolarHBondContact O-N 3.26Å |
| 801 | L | 90.7 | Very high | 89 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -88.3 | -44.3 | -179.7 | -79.7 | 168.3 | 0 | 0 | 0 | 113.2 | I664 A667 L668 F673 I674 Y683 L797 E798 V799 | I664-L801 HydrophobicContact CG2-CD1 3.88Å; I664-L801 HydrophobicContact CG2-CD2 3.73Å; I664-L801 HydrophobicContact CG2-CG 4.49Å; A667-L801 HydrophobicContact CB-CD2 4.28Å; L668-L801 HydrophobicContact CD1-CD2 4.16Å; L668-L801 HydrophobicContact CD1-CG 4.37Å; L668-L801 HydrophobicContact CD2-CD2 4.01Å; L668-L801 HydrophobicContact CD2-CG 3.97Å; L668-L801 HydrophobicContact CG-CD2 3.65Å; L668-L801 HydrophobicContact CG-CG 4.07Å; F673-L801 CarbonylContact C-O 3.48Å; F673-L801 WeakPolarHBondContact CA-O 3.43Å; F673-L801 WeakPolarHBondContact CB-O 3.48Å; I674-L801 HydrophobicContact CD1-CB 4.13Å; I674-L801 HydrophobicContact CD1-CD1 4.49Å; I674-L801 HydrophobicContact CD1-CD2 3.9Å; I674-L801 HydrophobicContact CD1-CG 4.41Å; I674-L801 HydrophobicContact CG1-CB 4.04Å; I674-L801 HydrophobicContact CG1-CD2 4.23Å; I674-L801 PolarHBondContact N-O 3.16Å; Y683-L801 HydrophobicContact CD1-CD1 4.35Å; Y683-L801 HydrophobicContact CE1-CD1 3.48Å; Y683-L801 VanDerWaalsContact CE1-CD1 3.48Å; L797-L801 HydrophobicContact CD1-CD1 4.46Å; L797-L801 HydrophobicContact CG-CD1 4.49Å; L797-L801 PolarHBondContact O-N 2.84Å; E798-L801 PolarHBondContact O-N 3.42Å; V799-L801 VanDerWaalsContact C-N 3.27Å; V799-L801 PolarHBondContact O-N 3.27Å |
| 802 | C | 88.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -85.8 | -26.7 | -175.1 | -59.8 | 0 | 0 | 0 | 0 | 113.1 | R440 E798 C854 R855 | R440-C802 WeakPolarHBondContact CD-O 3.4Å; R440-C802 PolarHBondContact NH1-O 3.28Å; R440-C802 VanDerWaalsContact NH1-O 3.16Å; E798-C802 WeakPolarHBondContact O-CB 3.47Å; E798-C802 PolarHBondContact O-N 2.83Å; E798-C802 PolarHBondContact O-SG 3Å; E798-C802 VanDerWaalsContact O-SG 3.38Å; C802-C854 VanDerWaalsContact CB-SG 3.53Å; C802-R855 HydrophobicContact CB-CG 4.2Å |
| 803 | G | 85.5 | Confident | 90.1 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | trans | 81.2 | 159.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F673 V799 | F673-G803 VanDerWaalsContact CE1-CA 3.46Å; V799-G803 VanDerWaalsContact O-CA 3.3Å; V799-G803 WeakPolarHBondContact O-CA 3.21Å; V799-G803 PolarHBondContact O-N 3.5Å | ||
| 804 | M | 82.6 | Confident | 90.5 | Very high | 7 Ų | 7 | 29 Ų | 29 | 3% | 0.034 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -82.7 | 154.4 | 169.5 | -63.5 | -170.1 | -60.7 | 0 | 0 | 111.3 | R440 Y441 L442 V799 | R440-M804 CarbonylContact C-O 3.57Å; R440-M804 WeakPolarHBondContact CA-O 3.33Å; R440-M804 WeakPolarHBondContact CB-O 3.41Å; Y441-M804 HydrophobicContact CD2-CE 4.19Å; Y441-M804 HydrophobicContact CE1-CB 4.44Å; Y441-M804 HydrophobicContact CE2-CE 3.74Å; Y441-M804 PolarHBondContact N-O 3.25Å; Y441-M804 WeakPolarHBondContact O-CB 3.4Å; Y441-M804 PolarHBondContact O-N 3.13Å; L442-M804 HydrophobicContact CD2-CE 4.43Å; L442-M804 HydrophobicContact CD2-CG 4.11Å; V799-M804 HydrophobicContact CG1-CG 3.63Å |
| 805 | Q | 83.6 | Confident | 90.9 | Very high | 41 Ų | 41 | 29.5 Ų | 29.5 | 19% | 0.192 | 15% | 0.146 | C | C | . | . | trans | -134.4 | 149.3 | 171.3 | 46.4 | -174.1 | 81 | 0 | 0 | 109.3 | R440 N840 M844 | R440-Q805 HydrophobicContact CG-CB 4.31Å; R440-Q805 VanDerWaalsContact NE-OE1 3.07Å; Q805-N840 PolarHBondContact O-ND2 3.41Å; Q805-M844 HydrophobicContact CG-CE 4.13Å; Q805-M844 HydrophobicContact CG-SD 4.26Å | ||
| 806 | E | 84.6 | Confident | 91.4 | Very high | 159 Ų | 159 | 29.7 Ų | 29.7 | 74% | 0.743 | 15% | 0.148 | S | C | * | . | trans | -68.9 | 134 | 172.3 | -66.6 | -162.5 | 149.3 | 0 | 0 | 110.1 | Y441 | Y441-E806 HydrophobicContact CE1-CG 4.19Š| ||
| 807 | V | 88.1 | Confident | 91.8 | Very high | 9 Ų | 9 | 32.8 Ų | 32.8 | 6% | 0.055 | 17% | 0.167 | C | C | . | . | trans | -93.4 | 115.5 | -177.4 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | L809 W812 N840 R843 M844 F861 | V807-L809 HydrophobicContact CG1-CD2 4.48Å; V807-L809 PolarHBondContact O-N 3.06Å; V807-W812 HydrophobicContact CG1-CD2 4.38Å; V807-W812 HydrophobicContact CG1-CE3 3.54Å; V807-W812 HydrophobicContact CG1-CZ3 3.87Å; V807-N840 PolarHBondContact N-OD1 2.75Å; V807-R843 HydrophobicContact CG2-CB 4.31Å; V807-M844 HydrophobicContact CG2-CG 4.46Å; V807-M844 HydrophobicContact CG2-SD 3.68Å; V807-F861 HydrophobicContact CG1-CE2 3.77Å; V807-F861 HydrophobicContact CG1-CZ 3.74Å | ||
| 808 | D | 91.1 | Very high | 92.1 | Very high | 82 Ų | 82 | 35 Ų | 35 | 44% | 0.439 | 18% | 0.175 | S | C | . | . | trans | -64.2 | 98.1 | 172 | -179.3 | 0.2 | 0 | 0 | 0 | 110 | A810 D811 W812 R814 | D808-A810 PolarHBondContact O-N 3.43Å; D808-A810 WeakPolarHBondContact OD1-CA 3.38Å; D808-A810 VanDerWaalsContact OD1-CB 3.25Å; D808-A810 WeakPolarHBondContact OD1-CB 3.48Å; D808-A810 PolarHBondContact OD1-N 3.06Å; D808-D811 HydrophobicContact CB-CB 4Å; D808-D811 VanDerWaalsContact CG-N 3.3Å; D808-D811 PolarHBondContact O-N 2.98Å; D808-D811 PolarHBondContact OD1-N 3.06Å; D808-D811 WeakPolarHBondContact OD2-CB 3.41Å; D808-D811 PolarHBondContact OD2-N 3.1Å; D808-W812 PolarHBondContact O-N 3.31Å; D808-R814 IonicContact OD2-NH2 3.31Å; D808-R814 PolarHBondContact OD2-NH2 2.9Å | ||
| 809 | L | 95.1 | Very high | 92.4 | Very high | 31 Ų | 31 | 40.5 Ų | 40.5 | 16% | 0.162 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.4 | -28.3 | 177.6 | -59.2 | -169.1 | 0 | 0 | 0 | 112.7 | V807 W812 Q813 V835 K836 | V807-L809 HydrophobicContact CG1-CD2 4.48Å; V807-L809 PolarHBondContact O-N 3.06Å; L809-W812 HydrophobicContact CD2-CE3 4.07Å; L809-Q813 WeakPolarHBondContact O-CB 3.33Å; L809-Q813 PolarHBondContact O-N 2.67Å; L809-V835 HydrophobicContact CD1-CG1 4.38Å; L809-V835 HydrophobicContact CD2-CG1 3.49Å; L809-V835 VanDerWaalsContact CD2-CG1 3.49Å; L809-V835 HydrophobicContact CG-CG1 4.5Å; L809-K836 HydrophobicContact CD1-CG 3.83Å |
| 810 | A | 95.2 | Very high | 92.8 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 41% | 0.405 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -72.9 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | D808 R814 | D808-A810 PolarHBondContact O-N 3.43Å; D808-A810 WeakPolarHBondContact OD1-CA 3.38Å; D808-A810 VanDerWaalsContact OD1-CB 3.25Å; D808-A810 WeakPolarHBondContact OD1-CB 3.48Å; D808-A810 PolarHBondContact OD1-N 3.06Å; A810-R814 VanDerWaalsContact O-CB 3.31Å; A810-R814 WeakPolarHBondContact O-CB 3.36Å; A810-R814 WeakPolarHBondContact O-CG 3.21Å; A810-R814 PolarHBondContact O-N 3.45Å |
| 811 | D | 96.2 | Very high | 93.2 | Very high | 21 Ų | 21 | 48.2 Ų | 48.2 | 11% | 0.112 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.8 | -45.1 | 174.2 | -158.3 | 62 | 0 | 0 | 0 | 113.1 | D808 Q813 R814 N815 F861 | D808-D811 HydrophobicContact CB-CB 4Å; D808-D811 VanDerWaalsContact CG-N 3.3Å; D808-D811 PolarHBondContact O-N 2.98Å; D808-D811 PolarHBondContact OD1-N 3.06Å; D808-D811 WeakPolarHBondContact OD2-CB 3.41Å; D808-D811 PolarHBondContact OD2-N 3.1Å; D811-Q813 VanDerWaalsContact C-N 3.3Å; D811-Q813 PolarHBondContact O-N 2.79Å; D811-R814 VanDerWaalsContact CA-CZ 3.46Å; D811-R814 PolarHBondContact O-N 2.68Å; D811-R814 IonicContact OD1-CZ 3.51Å; D811-R814 IonicContact OD1-NE 3.28Å; D811-R814 PolarHBondContact OD1-NE 2.92Å; D811-R814 IonicContact OD1-NH2 2.74Å; D811-R814 PolarHBondContact OD1-NH2 3.31Å; D811-N815 WeakPolarHBondContact O-CB 3.23Å; D811-N815 PolarHBondContact O-N 2.95Å; D811-N815 PolarHBondContact O-ND2 3.14Å; D811-N815 PolarHBondContact OD1-ND2 2.92Å; D811-N815 PolarHBondContact OD2-ND2 3.03Å; D811-F861 HydrophobicContact CB-CD2 4.32Å; D811-F861 WeakPolarHBondContact OD2-CA 3.15Å; D811-F861 WeakPolarHBondContact OD2-CB 3.32Å; D811-F861 PolarHBondContact OD2-N 2.87Å |
| 812 | W | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.2 | -45.2 | 175.9 | -162.3 | -0.1 | 0 | 0 | 0 | 111.1 | V807 D808 L809 N815 T816 W832 V835 R843 L846 L847 F861 F873 | V807-W812 HydrophobicContact CG1-CD2 4.38Å; V807-W812 HydrophobicContact CG1-CE3 3.54Å; V807-W812 HydrophobicContact CG1-CZ3 3.87Å; D808-W812 PolarHBondContact O-N 3.31Å; L809-W812 HydrophobicContact CD2-CE3 4.07Å; W812-N815 PolarHBondContact O-N 2.83Å; W812-T816 WeakPolarHBondContact O-CB 3.33Å; W812-T816 PolarHBondContact O-N 3.47Å; W812-T816 PolarHBondContact O-OG1 3.42Å; W812-W832 HydrophobicContact CB-CH2 4.04Å; W812-W832 HydrophobicContact CB-CZ3 4.16Å; W812-W832 AromaticContact CD1-CH2 3.69Å; W812-W832 HydrophobicContact CD2-CH2 4.11Å; W812-W832 HydrophobicContact CD2-CZ3 4.13Å; W812-W832 HydrophobicContact CE3-CZ3 4.49Å; W812-W832 AromaticContact CG-CH2 3.66Å; W812-W832 HydrophobicContact CG-CH2 3.66Å; W812-W832 AromaticContact CG-CZ3 3.96Å; W812-W832 HydrophobicContact CG-CZ3 3.96Å; W812-V835 HydrophobicContact CE3-CG1 4.12Å; W812-V835 HydrophobicContact CZ3-CG1 4.04Å; W812-R843 HydrophobicContact CZ3-CB 4.36Å; W812-L846 HydrophobicContact CH2-CB 4.5Å; W812-L846 HydrophobicContact CH2-CD2 3.89Å; W812-L846 HydrophobicContact CH2-CG 4.11Å; W812-L846 HydrophobicContact CZ2-CD2 4.33Å; W812-L846 HydrophobicContact CZ2-CG 4.42Å; W812-L847 HydrophobicContact CZ2-CD1 4.41Å; W812-F861 HydrophobicContact CB-CD1 4.38Å; W812-F861 HydrophobicContact CB-CD2 3.8Å; W812-F861 HydrophobicContact CB-CE1 4.18Å; W812-F861 HydrophobicContact CB-CE2 3.58Å; W812-F861 HydrophobicContact CB-CG 4.2Å; W812-F861 HydrophobicContact CB-CZ 3.78Å; W812-F861 AromaticContact CD1-CD1 3.57Å; W812-F861 AromaticContact CD1-CE1 3.35Å; W812-F861 AromaticContact CD1-CZ 3.79Å; W812-F861 AromaticContact CD2-CE1 3.82Å; W812-F861 HydrophobicContact CD2-CE1 3.82Å; W812-F861 HydrophobicContact CD2-CE2 4.27Å; W812-F861 AromaticContact CD2-CZ 3.57Å; W812-F861 HydrophobicContact CD2-CZ 3.57Å; W812-F861 AromaticContact CE2-CE1 3.8Å; W812-F861 AromaticContact CE2-CZ 3.98Å; W812-F861 HydrophobicContact CE3-CZ 4.04Å; W812-F861 AromaticContact CG-CD1 3.99Å; W812-F861 HydrophobicContact CG-CD1 3.99Å; W812-F861 HydrophobicContact CG-CD2 4.23Å; W812-F861 AromaticContact CG-CE1 3.55Å; W812-F861 HydrophobicContact CG-CE1 3.55Å; W812-F861 AromaticContact CG-CE2 3.82Å; W812-F861 HydrophobicContact CG-CE2 3.82Å; W812-F861 HydrophobicContact CG-CG 4.31Å; W812-F861 AromaticContact CG-CZ 3.45Å; W812-F861 HydrophobicContact CG-CZ 3.45Å; W812-F861 VanDerWaalsContact CG-CZ 3.45Å; W812-F861 AromaticContact NE1-CE1 3.54Å; W812-F873 AromaticContact CD1-CG 3.99Å; W812-F873 AromaticContact CE2-CE2 3.78Å; W812-F873 AromaticContact CE2-CZ 3.88Å; W812-F873 HydrophobicContact CZ2-CD2 4.31Å; W812-F873 HydrophobicContact CZ2-CE1 4.48Å; W812-F873 AromaticContact CZ2-CE2 3.58Å; W812-F873 HydrophobicContact CZ2-CE2 3.58Å; W812-F873 AromaticContact CZ2-CZ 3.69Å; W812-F873 HydrophobicContact CZ2-CZ 3.69Å; W812-F873 AromaticContact NE1-CD1 3.45Å; W812-F873 AromaticContact NE1-CD2 3.3Å; W812-F873 VanDerWaalsContact NE1-CD2 3.3Å; W812-F873 AromaticContact NE1-CE1 3.53Å; W812-F873 AromaticContact NE1-CE2 3.36Å; W812-F873 AromaticContact NE1-CG 3.34Å; W812-F873 VanDerWaalsContact NE1-CG 3.34Å; W812-F873 AromaticContact NE1-CZ 3.49Å |
| 813 | Q | 97.2 | Very high | 93.9 | Very high | 47 Ų | 47 | 58.4 Ų | 58.4 | 22% | 0.22 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.8 | -29 | 178.8 | -171 | 165.5 | 35.9 | 0 | 0 | 113.5 | L809 D811 R823 W832 | L809-Q813 WeakPolarHBondContact O-CB 3.33Å; L809-Q813 PolarHBondContact O-N 2.67Å; D811-Q813 VanDerWaalsContact C-N 3.3Å; D811-Q813 PolarHBondContact O-N 2.79Å; Q813-R823 PolarHBondContact O-NH2 2.86Å; Q813-W832 HydrophobicContact CB-CD2 4.09Å; Q813-W832 HydrophobicContact CB-CE3 4Å; Q813-W832 HydrophobicContact CB-CH2 4.04Å; Q813-W832 HydrophobicContact CB-CZ2 4.1Å; Q813-W832 HydrophobicContact CB-CZ3 3.97Å; Q813-W832 HydrophobicContact CG-CD2 3.84Å; Q813-W832 HydrophobicContact CG-CE3 4.25Å; Q813-W832 HydrophobicContact CG-CG 4.2Å; Q813-W832 HydrophobicContact CG-CZ2 4.23Å |
| 814 | R | 97.4 | Very high | 94.4 | Very high | 140 Ų | 140 | 64.8 Ų | 64.8 | 53% | 0.528 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.7 | -47 | 170.9 | -80.5 | -176.6 | -53.4 | -103.6 | 8.8 | 111.2 | D808 A810 D811 | D808-R814 IonicContact OD2-NH2 3.31Å; D808-R814 PolarHBondContact OD2-NH2 2.9Å; A810-R814 VanDerWaalsContact O-CB 3.31Å; A810-R814 WeakPolarHBondContact O-CB 3.36Å; A810-R814 WeakPolarHBondContact O-CG 3.21Å; A810-R814 PolarHBondContact O-N 3.45Å; D811-R814 VanDerWaalsContact CA-CZ 3.46Å; D811-R814 PolarHBondContact O-N 2.68Å; D811-R814 IonicContact OD1-CZ 3.51Å; D811-R814 IonicContact OD1-NE 3.28Å; D811-R814 PolarHBondContact OD1-NE 2.92Å; D811-R814 IonicContact OD1-NH2 2.74Å; D811-R814 PolarHBondContact OD1-NH2 3.31Å |
| 815 | N | 97.4 | Very high | 95.2 | Very high | 20 Ų | 20 | 65.8 Ų | 65.8 | 11% | 0.107 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -92.2 | -9.6 | -169.5 | -76.6 | -60.4 | 0 | 0 | 0 | 115.2 | D811 W812 V817 F861 A862 K872 | D811-N815 WeakPolarHBondContact O-CB 3.23Å; D811-N815 PolarHBondContact O-N 2.95Å; D811-N815 PolarHBondContact O-ND2 3.14Å; D811-N815 PolarHBondContact OD1-ND2 2.92Å; D811-N815 PolarHBondContact OD2-ND2 3.03Å; W812-N815 PolarHBondContact O-N 2.83Å; N815-V817 PolarHBondContact O-N 2.98Å; N815-F861 HydrophobicContact CB-CB 3.71Å; N815-F861 WeakPolarHBondContact CB-O 3.37Å; N815-A862 PolarHBondContact ND2-N 3.28Å; N815-A862 WeakPolarHBondContact OD1-CA 3.4Å; N815-K872 HydrophobicContact CB-CD 4.31Å; N815-K872 WeakPolarHBondContact O-CD 3.44Å; N815-K872 PolarHBondContact OD1-NZ 3.09Å |
| 816 | T | 98.2 | Very high | 95.9 | Very high | 7 Ų | 7 | 70.7 Ų | 70.7 | 4% | 0.043 | 34% | 0.341 | C | S | . | . | trans | -69 | 130.4 | 175.8 | -65.8 | 0 | 0 | 0 | 0 | 112.7 | W812 Y818 W832 F873 I875 | W812-T816 WeakPolarHBondContact O-CB 3.33Å; W812-T816 PolarHBondContact O-N 3.47Å; W812-T816 PolarHBondContact O-OG1 3.42Å; T816-Y818 HydrophobicContact CG2-CD1 4.36Å; T816-Y818 HydrophobicContact CG2-CE1 3.67Å; T816-Y818 HydrophobicContact CG2-CE2 4.29Å; T816-Y818 VanDerWaalsContact O-CE2 3.27Å; T816-Y818 WeakPolarHBondContact O-CE2 3.26Å; T816-W832 HydrophobicContact CG2-CZ2 4.01Å; T816-W832 WeakPolarHBondContact OG1-CZ2 3.39Å; T816-F873 CarbonylContact C-O 3.35Å; T816-F873 WeakPolarHBondContact CA-O 3.25Å; T816-F873 HydrophobicContact CG2-CD1 3.81Å; T816-F873 HydrophobicContact CG2-CE1 4.44Å; T816-F873 WeakPolarHBondContact OG1-CD1 3.15Å; T816-I875 HydrophobicContact CG2-CD1 4.16Å; T816-I875 HydrophobicContact CG2-CG1 4.03Å | ||
| 817 | V | 97.7 | Very high | 96.5 | Very high | 66 Ų | 66 | 64.5 Ų | 64.5 | 40% | 0.4 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 157.2 | 171.7 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | N815 K872 F873 C874 I875 | N815-V817 PolarHBondContact O-N 2.98Å; V817-K872 HydrophobicContact CG1-CB 4.41Å; V817-F873 PolarHBondContact N-O 3.49Å; V817-C874 HydrophobicContact CG2-CB 3.73Å; V817-C874 WeakPolarHBondContact O-CA 3.2Å; V817-I875 PolarHBondContact O-N 2.98Å |
| 818 | Y | 98.1 | Very high | 97 | Very high | 47 Ų | 47 | 64 Ų | 64 | 18% | 0.184 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 138 | -174.7 | -52.7 | -81.7 | 0 | 0 | 0 | 111.1 | T816 Y821 R823 I828 W832 I875 | T816-Y818 HydrophobicContact CG2-CD1 4.36Å; T816-Y818 HydrophobicContact CG2-CE1 3.67Å; T816-Y818 HydrophobicContact CG2-CE2 4.29Å; T816-Y818 VanDerWaalsContact O-CE2 3.27Å; T816-Y818 WeakPolarHBondContact O-CE2 3.26Å; Y818-Y821 WeakPolarHBondContact CB-O 3.36Å; Y818-R823 HydrophobicContact CE2-CB 4.35Å; Y818-I828 HydrophobicContact CD1-CD1 3.69Å; Y818-I828 HydrophobicContact CD1-CG1 3.89Å; Y818-I828 HydrophobicContact CD1-CG2 3.97Å; Y818-I828 HydrophobicContact CE1-CB 4.34Å; Y818-I828 HydrophobicContact CE1-CD1 3.87Å; Y818-I828 HydrophobicContact CE1-CG1 4.09Å; Y818-I828 HydrophobicContact CE1-CG2 3.33Å; Y818-W832 AromaticContact CZ-NE1 3.95Å; Y818-W832 PolarHBondContact OH-NE1 3.47Å; Y818-I875 WeakPolarHBondContact CA-O 3.48Å; Y818-I875 HydrophobicContact CD1-CB 4.23Å; Y818-I875 HydrophobicContact CE1-CD1 4.23Å |
| 819 | R | 97.3 | Very high | 97.4 | Very high | 116 Ų | 116 | 64.5 Ų | 64.5 | 44% | 0.438 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 126.4 | 176 | -72.2 | 176.4 | 174.4 | -172.3 | 0.3 | 110 | Y821 I875 E876 K877 | R819-Y821 PolarHBondContact O-N 3.16Å; R819-I875 PolarHBondContact N-O 3.33Å; R819-E876 HydrophobicContact CB-CB 3.97Å; R819-E876 HydrophobicContact CB-CG 3.64Å; R819-E876 WeakPolarHBondContact CD-OE2 3.5Å; R819-E876 IonicContact CZ-OE2 2.96Å; R819-E876 IonicContact NE-OE2 3.26Å; R819-E876 IonicContact NH1-OE2 3.02Å; R819-E876 PolarHBondContact NH1-OE2 3.01Å; R819-E876 WeakPolarHBondContact O-CA 3.39Å; R819-K877 PolarHBondContact O-N 2.77Å |
| 820 | H | 97.6 | Very high | 97.6 | Very high | 153 Ų | 153 | 65.2 Ų | 65.2 | 71% | 0.708 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 56 | 10.7 | -173.1 | -54.2 | -61.7 | 0 | 0 | 0 | 115.2 | K877 | H820-K877 HydrophobicContact CB-CB 3.84Å; H820-K877 WeakPolarHBondContact O-CD 3.37Å |
| 821 | Y | 98.3 | Very high | 97.7 | Very high | 17 Ų | 17 | 62.9 Ų | 62.9 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | trans | -127.4 | 169.2 | 165 | -77.6 | -53.6 | 0 | 0 | 0 | 109.2 | Y818 R819 Q827 I828 I875 K877 L896 P897 P898 | Y818-Y821 WeakPolarHBondContact CB-O 3.36Å; R819-Y821 PolarHBondContact O-N 3.16Å; Y821-Q827 HydrophobicContact CE1-CB 3.95Å; Y821-Q827 HydrophobicContact CE1-CG 4.2Å; Y821-I828 HydrophobicContact CD1-CG1 4.4Å; Y821-I828 HydrophobicContact CD2-CD1 3.79Å; Y821-I828 HydrophobicContact CD2-CG1 4.28Å; Y821-I828 HydrophobicContact CE2-CD1 4.41Å; Y821-I828 HydrophobicContact CG-CD1 3.98Å; Y821-I828 HydrophobicContact CG-CG1 3.94Å; Y821-I875 HydrophobicContact CD2-CG2 4.26Å; Y821-I875 HydrophobicContact CE2-CG2 4.49Å; Y821-K877 HydrophobicContact CD1-CB 4.16Å; Y821-K877 HydrophobicContact CD1-CD 4.29Å; Y821-K877 HydrophobicContact CD1-CG 4.45Å; Y821-K877 HydrophobicContact CD2-CB 3.63Å; Y821-K877 HydrophobicContact CE1-CB 3.98Å; Y821-K877 HydrophobicContact CE1-CD 3.92Å; Y821-K877 HydrophobicContact CE1-CG 3.89Å; Y821-K877 VanDerWaalsContact CE2-CA 3.46Å; Y821-K877 HydrophobicContact CE2-CB 3.44Å; Y821-K877 VanDerWaalsContact CE2-CB 3.44Å; Y821-K877 HydrophobicContact CE2-CG 3.99Å; Y821-K877 HydrophobicContact CG-CB 3.98Å; Y821-L896 HydrophobicContact CE2-CB 4.14Å; Y821-L896 HydrophobicContact CE2-CD2 4.39Å; Y821-L896 HydrophobicContact CE2-CG 4.41Å; Y821-L896 VanDerWaalsContact CE2-O 3.27Å; Y821-L896 WeakPolarHBondContact CE2-O 3.46Å; Y821-L896 PolarHBondContact OH-O 3.48Å; Y821-P897 PolarHBondContact OH-O 2.72Å; Y821-P898 WeakPolarHBondContact OH-CA 3.16Å | ||
| 822 | T | 97.2 | Very high | 97.8 | Very high | 81 Ų | 81 | 62.2 Ų | 62.2 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | trans | -130.6 | 166.3 | 167.2 | 65.2 | 0 | 0 | 0 | 0 | 109.7 | N824 S825 I828 | T822-N824 PolarHBondContact O-N 2.87Å; T822-N824 PolarHBondContact OG1-N 3.44Å; T822-S825 PolarHBondContact N-OG 2.83Å; T822-S825 VanDerWaalsContact O-CB 3.29Å; T822-S825 WeakPolarHBondContact O-CB 3.25Å; T822-S825 PolarHBondContact O-N 2.96Å; T822-S825 PolarHBondContact O-OG 3.28Å; T822-S825 PolarHBondContact OG1-OG 3.32Å; T822-I828 WeakPolarHBondContact O-CG1 3.18Å | ||
| 823 | R | 96.1 | Very high | 97.8 | Very high | 133 Ų | 133 | 65.7 Ų | 65.7 | 50% | 0.502 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -23.5 | 173.2 | -172.2 | 177.1 | -77.7 | 167 | -4.6 | 113.5 | Q813 Y818 | Q813-R823 PolarHBondContact O-NH2 2.86Å; Y818-R823 HydrophobicContact CE2-CB 4.35Å |
| 824 | N | 97.6 | Very high | 97.9 | Very high | 135 Ų | 135 | 63.5 Ų | 63.5 | 72% | 0.722 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -0.3 | -179 | -58.7 | 8.3 | 0 | 0 | 0 | 113.3 | T822 | T822-N824 PolarHBondContact O-N 2.87Å; T822-N824 PolarHBondContact OG1-N 3.44Å |
| 825 | S | 98.3 | Very high | 97.8 | Very high | 28 Ų | 28 | 56.9 Ų | 56.9 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -72 | 137.2 | 177 | -62.3 | 0 | 0 | 0 | 0 | 110.5 | T822 Q827 I828 I829 | T822-S825 PolarHBondContact N-OG 2.83Å; T822-S825 VanDerWaalsContact O-CB 3.29Å; T822-S825 WeakPolarHBondContact O-CB 3.25Å; T822-S825 PolarHBondContact O-N 2.96Å; T822-S825 PolarHBondContact O-OG 3.28Å; T822-S825 PolarHBondContact OG1-OG 3.32Å; S825-Q827 VanDerWaalsContact C-N 3.27Å; S825-Q827 PolarHBondContact O-N 3.04Å; S825-Q827 VanDerWaalsContact O-N 3.17Å; S825-I828 WeakPolarHBondContact O-CA 3.44Å; S825-I828 WeakPolarHBondContact O-CB 3.35Å; S825-I828 PolarHBondContact O-N 3.23Å; S825-I829 PolarHBondContact O-N 3.33Å |
| 826 | K | 98.1 | Very high | 97.8 | Very high | 144 Ų | 144 | 61 Ų | 61 | 63% | 0.626 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -50.7 | -45.9 | -174.4 | -65.4 | -171.9 | 179.5 | -174.8 | 0 | 112.7 | I828 I829 W830 | K826-I828 VanDerWaalsContact C-N 3.28Å; K826-I828 PolarHBondContact O-N 3.45Å; K826-I829 PolarHBondContact O-N 2.83Å; K826-W830 HydrophobicContact CB-CD2 4.38Å; K826-W830 HydrophobicContact CB-CE3 4.27Å; K826-W830 HydrophobicContact CB-CH2 3.91Å; K826-W830 HydrophobicContact CB-CZ2 4.05Å; K826-W830 HydrophobicContact CB-CZ3 4.03Å; K826-W830 HydrophobicContact CD-CH2 4.12Å; K826-W830 HydrophobicContact CD-CZ2 4.25Å; K826-W830 WeakPolarHBondContact O-CB 3.24Å; K826-W830 VanDerWaalsContact O-CD2 3.32Å; K826-W830 PolarHBondContact O-N 3.27Å |
| 827 | Q | 98.3 | Very high | 97.6 | Very high | 28 Ų | 28 | 65.6 Ų | 65.6 | 13% | 0.131 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.8 | -30.1 | 179.8 | -63.5 | 77.6 | 10.3 | 0 | 0 | 113.2 | Y821 S825 W830 F831 L896 Y899 L905 | Y821-Q827 HydrophobicContact CE1-CB 3.95Å; Y821-Q827 HydrophobicContact CE1-CG 4.2Å; S825-Q827 VanDerWaalsContact C-N 3.27Å; S825-Q827 PolarHBondContact O-N 3.04Å; S825-Q827 VanDerWaalsContact O-N 3.17Å; Q827-W830 HydrophobicContact CG-CE3 4.25Å; Q827-W830 HydrophobicContact CG-CZ3 4.35Å; Q827-F831 VanDerWaalsContact O-CB 3.31Å; Q827-F831 WeakPolarHBondContact O-CB 3.49Å; Q827-F831 PolarHBondContact O-N 2.88Å; Q827-L896 HydrophobicContact CB-CD2 4.3Å; Q827-Y899 PolarHBondContact NE2-O 2.92Å; Q827-L905 HydrophobicContact CB-CD1 4.24Å; Q827-L905 WeakPolarHBondContact O-CD1 3.32Å |
| 828 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -77.7 | -39.2 | 175.8 | -60.3 | -52.7 | 0 | 0 | 0 | 111.1 | Y818 Y821 T822 S825 K826 W830 F831 W832 I875 L896 | Y818-I828 HydrophobicContact CD1-CD1 3.69Å; Y818-I828 HydrophobicContact CD1-CG1 3.89Å; Y818-I828 HydrophobicContact CD1-CG2 3.97Å; Y818-I828 HydrophobicContact CE1-CB 4.34Å; Y818-I828 HydrophobicContact CE1-CD1 3.87Å; Y818-I828 HydrophobicContact CE1-CG1 4.09Å; Y818-I828 HydrophobicContact CE1-CG2 3.33Å; Y821-I828 HydrophobicContact CD1-CG1 4.4Å; Y821-I828 HydrophobicContact CD2-CD1 3.79Å; Y821-I828 HydrophobicContact CD2-CG1 4.28Å; Y821-I828 HydrophobicContact CE2-CD1 4.41Å; Y821-I828 HydrophobicContact CG-CD1 3.98Å; Y821-I828 HydrophobicContact CG-CG1 3.94Å; T822-I828 WeakPolarHBondContact O-CG1 3.18Å; S825-I828 WeakPolarHBondContact O-CA 3.44Å; S825-I828 WeakPolarHBondContact O-CB 3.35Å; S825-I828 PolarHBondContact O-N 3.23Å; K826-I828 VanDerWaalsContact C-N 3.28Å; K826-I828 PolarHBondContact O-N 3.45Å; I828-W830 VanDerWaalsContact C-N 3.33Å; I828-F831 PolarHBondContact O-N 2.86Å; I828-W832 PolarHBondContact O-N 3.31Å; I828-I875 HydrophobicContact CD1-CB 4.05Å; I828-I875 HydrophobicContact CD1-CD1 4.13Å; I828-I875 HydrophobicContact CD1-CG2 3.65Å; I828-L896 HydrophobicContact CD1-CD2 4.29Å |
| 829 | I | 98.4 | Very high | 96.8 | Very high | 92 Ų | 92 | 65.5 Ų | 65.5 | 47% | 0.472 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 172.8 | -61.4 | 169.9 | 0 | 0 | 0 | 109.5 | S825 K826 W832 Q833 | S825-I829 PolarHBondContact O-N 3.33Å; K826-I829 PolarHBondContact O-N 2.83Å; I829-W832 PolarHBondContact O-N 2.97Å; I829-Q833 WeakPolarHBondContact O-CB 3.45Å; I829-Q833 PolarHBondContact O-N 2.92Å |
| 830 | W | 98.6 | Very high | 96.3 | Very high | 46 Ų | 46 | 61 Ų | 61 | 17% | 0.174 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 175 | -69.6 | -24.6 | 0 | 0 | 0 | 113.6 | K826 Q827 I828 Q833 F834 K900 Y902 L905 | K826-W830 HydrophobicContact CB-CD2 4.38Å; K826-W830 HydrophobicContact CB-CE3 4.27Å; K826-W830 HydrophobicContact CB-CH2 3.91Å; K826-W830 HydrophobicContact CB-CZ2 4.05Å; K826-W830 HydrophobicContact CB-CZ3 4.03Å; K826-W830 HydrophobicContact CD-CH2 4.12Å; K826-W830 HydrophobicContact CD-CZ2 4.25Å; K826-W830 WeakPolarHBondContact O-CB 3.24Å; K826-W830 VanDerWaalsContact O-CD2 3.32Å; K826-W830 PolarHBondContact O-N 3.27Å; Q827-W830 HydrophobicContact CG-CE3 4.25Å; Q827-W830 HydrophobicContact CG-CZ3 4.35Å; I828-W830 VanDerWaalsContact C-N 3.33Å; W830-Q833 WeakPolarHBondContact O-CB 3.08Å; W830-Q833 PolarHBondContact O-N 3.32Å; W830-F834 WeakPolarHBondContact O-CB 3.42Å; W830-F834 PolarHBondContact O-N 3.22Å; W830-K900 VanDerWaalsContact CH2-O 3.31Å; W830-K900 WeakPolarHBondContact CH2-O 3.34Å; W830-Y902 HydrophobicContact CB-CD2 3.83Å; W830-Y902 AromaticContact CD1-CD2 3.95Å; W830-Y902 AromaticContact CG-CD2 3.99Å; W830-Y902 HydrophobicContact CG-CD2 3.99Å; W830-Y902 WeakPolarHBondContact O-CE2 3.27Å; W830-L905 HydrophobicContact CB-CD1 3.92Å |
| 831 | F | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 173.2 | 175.5 | -90.7 | 0 | 0 | 0 | 111.5 | Q827 I828 Q833 F834 V835 L846 F873 I875 L894 L896 L909 | Q827-F831 VanDerWaalsContact O-CB 3.31Å; Q827-F831 WeakPolarHBondContact O-CB 3.49Å; Q827-F831 PolarHBondContact O-N 2.88Å; I828-F831 PolarHBondContact O-N 2.86Å; F831-Q833 VanDerWaalsContact C-N 3.3Å; F831-Q833 PolarHBondContact O-N 3.32Å; F831-F834 WeakPolarHBondContact O-CB 3.43Å; F831-F834 PolarHBondContact O-N 3.32Å; F831-V835 HydrophobicContact CD1-CG2 4.32Å; F831-V835 HydrophobicContact CE1-CG2 3.9Å; F831-V835 HydrophobicContact CE2-CG2 4.36Å; F831-V835 HydrophobicContact CZ-CG2 3.92Å; F831-V835 WeakPolarHBondContact O-CG2 3.42Å; F831-V835 PolarHBondContact O-N 2.97Å; F831-L846 HydrophobicContact CE2-CD1 4.42Å; F831-L846 HydrophobicContact CE2-CD2 3.95Å; F831-L846 HydrophobicContact CZ-CD2 3.94Å; F831-F873 HydrophobicContact CE1-CE1 4.4Å; F831-F873 HydrophobicContact CZ-CE1 4.05Å; F831-F873 HydrophobicContact CZ-CZ 4.08Å; F831-I875 HydrophobicContact CD1-CD1 3.54Å; F831-I875 HydrophobicContact CD2-CD1 4.21Å; F831-I875 HydrophobicContact CE1-CD1 3.56Å; F831-I875 HydrophobicContact CE2-CD1 4.22Å; F831-I875 HydrophobicContact CG-CD1 3.89Å; F831-I875 HydrophobicContact CZ-CD1 3.91Å; F831-L894 HydrophobicContact CD2-CD2 3.99Å; F831-L894 HydrophobicContact CE2-CD2 3.5Å; F831-L894 VanDerWaalsContact CE2-CD2 3.5Å; F831-L894 HydrophobicContact CZ-CD2 4.29Å; F831-L896 HydrophobicContact CB-CD2 4.31Å; F831-L909 HydrophobicContact CD2-CD2 3.95Å; F831-L909 HydrophobicContact CE2-CD2 4.11Å |
| 832 | W | 98.3 | Very high | 95.2 | Very high | 6 Ų | 6 | 55.8 Ų | 55.8 | 2% | 0.023 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.1 | -19.1 | 178.3 | -69.2 | 116.4 | 0 | 0 | 0 | 114.3 | W812 Q813 T816 Y818 I828 I829 V835 K836 | W812-W832 HydrophobicContact CB-CH2 4.04Å; W812-W832 HydrophobicContact CB-CZ3 4.16Å; W812-W832 AromaticContact CD1-CH2 3.69Å; W812-W832 HydrophobicContact CD2-CH2 4.11Å; W812-W832 HydrophobicContact CD2-CZ3 4.13Å; W812-W832 HydrophobicContact CE3-CZ3 4.49Å; W812-W832 AromaticContact CG-CH2 3.66Å; W812-W832 HydrophobicContact CG-CH2 3.66Å; W812-W832 AromaticContact CG-CZ3 3.96Å; W812-W832 HydrophobicContact CG-CZ3 3.96Å; Q813-W832 HydrophobicContact CB-CD2 4.09Å; Q813-W832 HydrophobicContact CB-CE3 4Å; Q813-W832 HydrophobicContact CB-CH2 4.04Å; Q813-W832 HydrophobicContact CB-CZ2 4.1Å; Q813-W832 HydrophobicContact CB-CZ3 3.97Å; Q813-W832 HydrophobicContact CG-CD2 3.84Å; Q813-W832 HydrophobicContact CG-CE3 4.25Å; Q813-W832 HydrophobicContact CG-CG 4.2Å; Q813-W832 HydrophobicContact CG-CZ2 4.23Å; T816-W832 HydrophobicContact CG2-CZ2 4.01Å; T816-W832 WeakPolarHBondContact OG1-CZ2 3.39Å; Y818-W832 AromaticContact CZ-NE1 3.95Å; Y818-W832 PolarHBondContact OH-NE1 3.47Å; I828-W832 PolarHBondContact O-N 3.31Å; I829-W832 PolarHBondContact O-N 2.97Å; W832-V835 HydrophobicContact CE3-CB 4.25Å; W832-V835 HydrophobicContact CE3-CG1 4.16Å; W832-V835 HydrophobicContact CZ3-CG1 4.12Å; W832-K836 VanDerWaalsContact O-CD 3.27Å; W832-K836 WeakPolarHBondContact O-CD 3.27Å; W832-K836 WeakPolarHBondContact O-CG 3.39Å; W832-K836 PolarHBondContact O-N 3.18Å |
| 833 | Q | 97.5 | Very high | 94.9 | Very high | 73 Ų | 73 | 54.1 Ų | 54.1 | 34% | 0.341 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -70.6 | -50.9 | 167 | -179.2 | -177.7 | -13.4 | 0 | 0 | 110.1 | I829 W830 F831 V835 K836 E837 Y902 | I829-Q833 WeakPolarHBondContact O-CB 3.45Å; I829-Q833 PolarHBondContact O-N 2.92Å; W830-Q833 WeakPolarHBondContact O-CB 3.08Å; W830-Q833 PolarHBondContact O-N 3.32Å; F831-Q833 VanDerWaalsContact C-N 3.3Å; F831-Q833 PolarHBondContact O-N 3.32Å; Q833-V835 PolarHBondContact O-N 3.1Å; Q833-K836 PolarHBondContact O-N 2.91Å; Q833-E837 HydrophobicContact CG-CG 4.42Å; Q833-E837 VanDerWaalsContact CG-OE1 3.27Å; Q833-E837 WeakPolarHBondContact CG-OE1 3.32Å; Q833-E837 PolarHBondContact NE2-OE1 3.43Å; Q833-E837 PolarHBondContact O-N 2.98Å; Q833-Y902 HydrophobicContact CB-CE2 4.06Å; Q833-Y902 HydrophobicContact CG-CE1 4.43Å; Q833-Y902 HydrophobicContact CG-CE2 3.92Å |
| 834 | F | 97.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.1 | -50.4 | 176.6 | 169.2 | -101.7 | 0 | 0 | 0 | 112.3 | W830 F831 K836 E837 T838 V842 L846 Y902 K906 L909 L910 | W830-F834 WeakPolarHBondContact O-CB 3.42Å; W830-F834 PolarHBondContact O-N 3.22Å; F831-F834 WeakPolarHBondContact O-CB 3.43Å; F831-F834 PolarHBondContact O-N 3.32Å; F834-K836 PolarHBondContact O-N 3.35Å; F834-E837 PolarHBondContact O-N 3.49Å; F834-T838 HydrophobicContact CE1-CG2 4.44Å; F834-T838 HydrophobicContact CZ-CG2 4.42Å; F834-T838 WeakPolarHBondContact O-CB 3.5Å; F834-T838 WeakPolarHBondContact O-CG2 3.33Å; F834-T838 PolarHBondContact O-N 2.93Å; F834-V842 HydrophobicContact CE1-CG1 4.49Å; F834-V842 HydrophobicContact CZ-CG1 3.89Å; F834-L846 HydrophobicContact CE1-CD2 4.3Å; F834-Y902 WeakPolarHBondContact CA-OH 3.38Å; F834-Y902 HydrophobicContact CB-CE2 4.05Å; F834-Y902 PolarHBondContact N-OH 3.29Å; F834-K906 HydrophobicContact CD2-CB 4.38Å; F834-K906 HydrophobicContact CD2-CG 3.93Å; F834-K906 HydrophobicContact CE2-CG 4.2Å; F834-L909 HydrophobicContact CD1-CD2 3.59Å; F834-L909 HydrophobicContact CE1-CD2 3.62Å; F834-L909 HydrophobicContact CE1-CG 4.1Å; F834-L909 HydrophobicContact CG-CD2 4.38Å; F834-L909 HydrophobicContact CZ-CD2 4.43Å; F834-L910 HydrophobicContact CE2-CD1 4.29Å; F834-L910 HydrophobicContact CE2-CD2 3.8Å; F834-L910 HydrophobicContact CE2-CG 3.76Å; F834-L910 HydrophobicContact CZ-CD2 3.8Å; F834-L910 HydrophobicContact CZ-CG 4.04Å |
| 835 | V | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.6 | -26.7 | 179.1 | 169.9 | 0 | 0 | 0 | 0 | 112.8 | L809 W812 F831 W832 Q833 R843 L846 | L809-V835 HydrophobicContact CD1-CG1 4.38Å; L809-V835 HydrophobicContact CD2-CG1 3.49Å; L809-V835 VanDerWaalsContact CD2-CG1 3.49Å; L809-V835 HydrophobicContact CG-CG1 4.5Å; W812-V835 HydrophobicContact CE3-CG1 4.12Å; W812-V835 HydrophobicContact CZ3-CG1 4.04Å; F831-V835 HydrophobicContact CD1-CG2 4.32Å; F831-V835 HydrophobicContact CE1-CG2 3.9Å; F831-V835 HydrophobicContact CE2-CG2 4.36Å; F831-V835 HydrophobicContact CZ-CG2 3.92Å; F831-V835 WeakPolarHBondContact O-CG2 3.42Å; F831-V835 PolarHBondContact O-N 2.97Å; W832-V835 HydrophobicContact CE3-CB 4.25Å; W832-V835 HydrophobicContact CE3-CG1 4.16Å; W832-V835 HydrophobicContact CZ3-CG1 4.12Å; Q833-V835 PolarHBondContact O-N 3.1Å; V835-R843 HydrophobicContact CG1-CG 4.48Å; V835-R843 PolarHBondContact O-NE 2.93Å; V835-L846 HydrophobicContact CG2-CD2 3.68Å |
| 836 | K | 95.8 | Very high | 93.7 | Very high | 108 Ų | 108 | 40.7 Ų | 40.7 | 47% | 0.47 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -86.5 | -39.2 | 176.8 | -72 | 171.4 | -169.7 | 178.1 | 0 | 113 | L809 W832 Q833 F834 R843 | L809-K836 HydrophobicContact CD1-CG 3.83Å; W832-K836 VanDerWaalsContact O-CD 3.27Å; W832-K836 WeakPolarHBondContact O-CD 3.27Å; W832-K836 WeakPolarHBondContact O-CG 3.39Å; W832-K836 PolarHBondContact O-N 3.18Å; Q833-K836 PolarHBondContact O-N 2.91Å; F834-K836 PolarHBondContact O-N 3.35Å; K836-R843 PolarHBondContact O-NH2 3.48Å |
| 837 | E | 94.6 | Very high | 93.4 | Very high | 102 Ų | 102 | 33.8 Ų | 33.8 | 48% | 0.477 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -70.4 | -32.1 | 178 | -78.1 | -179.7 | -159 | 0 | 0 | 113.3 | Q833 F834 Y902 K906 | Q833-E837 HydrophobicContact CG-CG 4.42Å; Q833-E837 VanDerWaalsContact CG-OE1 3.27Å; Q833-E837 WeakPolarHBondContact CG-OE1 3.32Å; Q833-E837 PolarHBondContact NE2-OE1 3.43Å; Q833-E837 PolarHBondContact O-N 2.98Å; F834-E837 PolarHBondContact O-N 3.49Å; E837-Y902 PolarHBondContact OE1-OH 3.12Å; E837-Y902 WeakPolarHBondContact OE2-CE1 3.31Å; E837-Y902 PolarHBondContact OE2-OH 2.73Å; E837-K906 IonicContact OE2-NZ 2.81Å; E837-K906 PolarHBondContact OE2-NZ 2.96Å; E837-K906 VanDerWaalsContact OE2-NZ 3.08Å |
| 838 | T | 90.9 | Very high | 92.9 | Very high | 23 Ų | 23 | 32.6 Ų | 32.6 | 14% | 0.141 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -84.3 | 161.4 | -178.3 | -154.7 | 0 | 0 | 0 | 0 | 112.6 | F834 V842 R843 | F834-T838 HydrophobicContact CE1-CG2 4.44Å; F834-T838 HydrophobicContact CZ-CG2 4.42Å; F834-T838 WeakPolarHBondContact O-CB 3.5Å; F834-T838 WeakPolarHBondContact O-CG2 3.33Å; F834-T838 PolarHBondContact O-N 2.93Å; T838-V842 HydrophobicContact CG2-CB 3.91Å; T838-V842 HydrophobicContact CG2-CG1 3.77Å; T838-V842 WeakPolarHBondContact OG1-CB 3.15Å; T838-V842 VanDerWaalsContact OG1-CG1 3.24Å; T838-V842 WeakPolarHBondContact OG1-CG1 3.4Å; T838-V842 WeakPolarHBondContact OG1-CG2 3.16Å; T838-R843 HydrophobicContact CG2-CG 4.12Å; T838-R843 PolarHBondContact O-NE 3.34Å; T838-R843 PolarHBondContact O-NH2 2.91Å |
| 839 | D | 87.5 | Confident | 92.5 | Very high | 89 Ų | 89 | 33.1 Ų | 33.1 | 48% | 0.476 | 16% | 0.157 | S | C | . | . | trans | -80.1 | -176 | -177.1 | 63.7 | 61.3 | 0 | 0 | 0 | 113.6 | E841 V842 R843 | D839-E841 WeakPolarHBondContact OD1-CA 3.43Å; D839-E841 WeakPolarHBondContact OD1-CB 3.38Å; D839-E841 PolarHBondContact OD1-N 3.1Å; D839-V842 PolarHBondContact OD1-N 2.82Å; D839-R843 WeakPolarHBondContact O-CD 3.26Å; D839-R843 WeakPolarHBondContact O-CG 3.49Å; D839-R843 PolarHBondContact O-N 3.35Å; D839-R843 PolarHBondContact O-NE 3.23Å | ||
| 840 | N | 86.9 | Confident | 92.1 | Very high | 21 Ų | 21 | 28.8 Ų | 28.8 | 11% | 0.112 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -76.6 | -26.9 | -178.4 | -155.4 | 72.7 | 0 | 0 | 0 | 114.1 | Q805 V807 R843 M844 | Q805-N840 PolarHBondContact O-ND2 3.41Å; V807-N840 PolarHBondContact N-OD1 2.75Å; N840-R843 PolarHBondContact O-N 3Å; N840-M844 WeakPolarHBondContact O-CG 3.26Å; N840-M844 PolarHBondContact O-N 3.03Å |
| 841 | E | 84.5 | Confident | 91.6 | Very high | 36 Ų | 36 | 27.3 Ų | 27.3 | 17% | 0.168 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.6 | -48.3 | 175.7 | -174.3 | 173.8 | 154.2 | 0 | 0 | 109.7 | Y443 F547 D839 R843 M844 R845 | Y443-E841 PolarHBondContact OH-OE2 3.1Å; F547-E841 WeakPolarHBondContact CB-OE1 3.34Å; D839-E841 WeakPolarHBondContact OD1-CA 3.43Å; D839-E841 WeakPolarHBondContact OD1-CB 3.38Å; D839-E841 PolarHBondContact OD1-N 3.1Å; E841-R843 VanDerWaalsContact C-N 3.31Å; E841-R843 PolarHBondContact O-N 3.34Å; E841-M844 WeakPolarHBondContact O-CB 3.27Å; E841-M844 PolarHBondContact O-N 3.27Å; E841-R845 WeakPolarHBondContact O-CG 3.39Å; E841-R845 PolarHBondContact O-N 3.42Å |
| 842 | V | 88.7 | Confident | 90.8 | Very high | 25 Ų | 25 | 28.1 Ų | 28.1 | 15% | 0.152 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.4 | -36.5 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 112 | F834 T838 D839 R845 L846 L910 I913 | F834-V842 HydrophobicContact CE1-CG1 4.49Å; F834-V842 HydrophobicContact CZ-CG1 3.89Å; T838-V842 HydrophobicContact CG2-CB 3.91Å; T838-V842 HydrophobicContact CG2-CG1 3.77Å; T838-V842 WeakPolarHBondContact OG1-CB 3.15Å; T838-V842 VanDerWaalsContact OG1-CG1 3.24Å; T838-V842 WeakPolarHBondContact OG1-CG1 3.4Å; T838-V842 WeakPolarHBondContact OG1-CG2 3.16Å; D839-V842 PolarHBondContact OD1-N 2.82Å; V842-R845 PolarHBondContact O-N 3.41Å; V842-L846 WeakPolarHBondContact O-CB 3.37Å; V842-L846 PolarHBondContact O-N 2.6Å; V842-L910 HydrophobicContact CG1-CD2 4.04Å; V842-I913 HydrophobicContact CG1-CD1 3.62Å |
| 843 | R | 91.7 | Very high | 90 | Very high | 45 Ų | 45 | 28.2 Ų | 28.2 | 17% | 0.17 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 171.8 | -71.4 | 165.2 | -164.6 | 154.5 | 7.3 | 112.3 | V807 W812 V835 K836 T838 D839 N840 E841 L846 L847 | V807-R843 HydrophobicContact CG2-CB 4.31Å; W812-R843 HydrophobicContact CZ3-CB 4.36Å; V835-R843 HydrophobicContact CG1-CG 4.48Å; V835-R843 PolarHBondContact O-NE 2.93Å; K836-R843 PolarHBondContact O-NH2 3.48Å; T838-R843 HydrophobicContact CG2-CG 4.12Å; T838-R843 PolarHBondContact O-NE 3.34Å; T838-R843 PolarHBondContact O-NH2 2.91Å; D839-R843 WeakPolarHBondContact O-CD 3.26Å; D839-R843 WeakPolarHBondContact O-CG 3.49Å; D839-R843 PolarHBondContact O-N 3.35Å; D839-R843 PolarHBondContact O-NE 3.23Å; N840-R843 PolarHBondContact O-N 3Å; E841-R843 VanDerWaalsContact C-N 3.31Å; E841-R843 PolarHBondContact O-N 3.34Å; R843-L846 PolarHBondContact O-N 2.99Å; R843-L847 PolarHBondContact O-N 2.65Å |
| 844 | M | 86.5 | Confident | 89.3 | Confident | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.5 | -40.2 | 177.7 | -64.8 | -70.7 | -64.1 | 0 | 0 | 111.4 | Q805 V807 N840 E841 L846 L847 Q848 C854 | Q805-M844 HydrophobicContact CG-CE 4.13Å; Q805-M844 HydrophobicContact CG-SD 4.26Å; V807-M844 HydrophobicContact CG2-CG 4.46Å; V807-M844 HydrophobicContact CG2-SD 3.68Å; N840-M844 WeakPolarHBondContact O-CG 3.26Å; N840-M844 PolarHBondContact O-N 3.03Å; E841-M844 WeakPolarHBondContact O-CB 3.27Å; E841-M844 PolarHBondContact O-N 3.27Å; M844-L846 PolarHBondContact O-N 3.07Å; M844-L847 WeakPolarHBondContact O-CB 2.95Å; M844-L847 PolarHBondContact O-N 2.76Å; M844-Q848 WeakPolarHBondContact O-CG 3.41Å; M844-Q848 PolarHBondContact O-N 3.15Å; M844-C854 HydrophobicContact CE-CB 3.75Å; M844-C854 WeakPolarHBondContact CE-O 3.45Å |
| 845 | R | 87.6 | Confident | 88.6 | Confident | 10 Ų | 10 | 26.2 Ų | 26.2 | 4% | 0.038 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62 | -39.8 | 172.7 | -65.9 | -59.8 | -151.8 | 149.5 | 17.9 | 112.3 | D793 K795 E796 E841 V842 F849 I913 | D793-R845 IonicContact OD1-NH1 3.39Å; D793-R845 PolarHBondContact OD1-NH1 3.5Å; D793-R845 IonicContact OD2-CZ 2.77Å; D793-R845 IonicContact OD2-NH1 2.72Å; D793-R845 PolarHBondContact OD2-NH1 2.78Å; D793-R845 VanDerWaalsContact OD2-NH1 3.14Å; D793-R845 IonicContact OD2-NH2 3.77Å; D793-R845 PolarHBondContact OD2-NH2 2.98Å; D793-R845 VanDerWaalsContact OD2-NH2 3.15Å; K795-R845 VanDerWaalsContact CB-NH1 3.3Å; E796-R845 IonicContact OE1-NH2 3.65Å; E796-R845 PolarHBondContact OE1-NH2 2.96Å; E796-R845 VanDerWaalsContact OE1-NH2 3.15Å; E841-R845 WeakPolarHBondContact O-CG 3.39Å; E841-R845 PolarHBondContact O-N 3.42Å; V842-R845 PolarHBondContact O-N 3.41Å; R845-F849 WeakPolarHBondContact O-CB 3.29Å; R845-F849 PolarHBondContact O-N 3.12Å; R845-I913 HydrophobicContact CB-CD1 4.5Å |
| 846 | L | 92.9 | Very high | 87.9 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.4 | -39.4 | 173.7 | 175.9 | 64 | 0 | 0 | 0 | 112.2 | W812 F831 F834 V835 V842 R843 M844 F849 V850 L909 I913 | W812-L846 HydrophobicContact CH2-CB 4.5Å; W812-L846 HydrophobicContact CH2-CD2 3.89Å; W812-L846 HydrophobicContact CH2-CG 4.11Å; W812-L846 HydrophobicContact CZ2-CD2 4.33Å; W812-L846 HydrophobicContact CZ2-CG 4.42Å; F831-L846 HydrophobicContact CE2-CD1 4.42Å; F831-L846 HydrophobicContact CE2-CD2 3.95Å; F831-L846 HydrophobicContact CZ-CD2 3.94Å; F834-L846 HydrophobicContact CE1-CD2 4.3Å; V835-L846 HydrophobicContact CG2-CD2 3.68Å; V842-L846 WeakPolarHBondContact O-CB 3.37Å; V842-L846 PolarHBondContact O-N 2.6Å; R843-L846 PolarHBondContact O-N 2.99Å; M844-L846 PolarHBondContact O-N 3.07Å; L846-F849 PolarHBondContact O-N 3.02Å; L846-V850 HydrophobicContact CD1-CG2 4.2Å; L846-V850 WeakPolarHBondContact O-CG2 3.27Å; L846-V850 PolarHBondContact O-N 3.4Å; L846-V850 VanDerWaalsContact O-N 3.16Å; L846-L909 HydrophobicContact CD1-CD1 3.97Å; L846-L909 HydrophobicContact CD1-CD2 4.45Å; L846-L909 HydrophobicContact CD1-CG 4.4Å; L846-I913 HydrophobicContact CB-CG2 4.25Å; L846-I913 HydrophobicContact CD1-CG2 3.8Å |
| 847 | L | 91.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.6 | -53.8 | 173.6 | -173.4 | 67.7 | 0 | 0 | 0 | 110 | W812 R843 M844 F849 V850 T851 L856 F861 | W812-L847 HydrophobicContact CZ2-CD1 4.41Å; R843-L847 PolarHBondContact O-N 2.65Å; M844-L847 WeakPolarHBondContact O-CB 2.95Å; M844-L847 PolarHBondContact O-N 2.76Å; L847-F849 VanDerWaalsContact C-N 3.27Å; L847-F849 PolarHBondContact O-N 2.78Å; L847-V850 PolarHBondContact O-N 2.8Å; L847-T851 HydrophobicContact CD1-CG2 3.72Å; L847-T851 HydrophobicContact CG-CG2 4.37Å; L847-T851 PolarHBondContact O-N 3.4Å; L847-T851 PolarHBondContact O-OG1 2.91Å; L847-L856 HydrophobicContact CD1-CD2 3.99Å; L847-L856 HydrophobicContact CD2-CD2 3.75Å; L847-L856 HydrophobicContact CD2-CG 3.94Å; L847-L856 HydrophobicContact CG-CD2 4.49Å; L847-F861 HydrophobicContact CD1-CE1 3.72Å; L847-F861 HydrophobicContact CD1-CZ 4.08Å |
| 848 | Q | 87.3 | Confident | 86.1 | Confident | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.009 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -53.9 | -41 | 175.3 | -75.3 | 176.9 | -51.8 | 0 | 0 | 113.1 | K795 E798 M844 V850 G852 T853 C854 | K795-Q848 HydrophobicContact CD-CB 4.16Å; K795-Q848 HydrophobicContact CG-CB 4.11Å; K795-Q848 PolarHBondContact O-NE2 2.84Å; E798-Q848 PolarHBondContact OE2-NE2 2.97Å; M844-Q848 WeakPolarHBondContact O-CG 3.41Å; M844-Q848 PolarHBondContact O-N 3.15Å; Q848-V850 VanDerWaalsContact C-N 3.34Å; Q848-V850 PolarHBondContact O-N 3.46Å; Q848-G852 VanDerWaalsContact O-CA 3.23Å; Q848-G852 WeakPolarHBondContact O-CA 3.32Å; Q848-G852 PolarHBondContact O-N 2.95Å; Q848-T853 WeakPolarHBondContact CA-O 3.38Å; Q848-T853 VanDerWaalsContact CG-C 3.45Å; Q848-T853 WeakPolarHBondContact CG-O 3.39Å; Q848-T853 PolarHBondContact N-O 2.82Å; Q848-C854 HydrophobicContact CG-CB 3.89Å |
| 849 | F | 90.1 | Very high | 85.5 | Confident | 12 Ų | 12 | 22.7 Ų | 22.7 | 5% | 0.053 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.4 | -40.5 | 176.7 | 178.5 | -105.6 | 0 | 0 | 0 | 112.3 | R845 L846 L847 S887 L894 A912 I913 | R845-F849 WeakPolarHBondContact O-CB 3.29Å; R845-F849 PolarHBondContact O-N 3.12Å; L846-F849 PolarHBondContact O-N 3.02Å; L847-F849 VanDerWaalsContact C-N 3.27Å; L847-F849 PolarHBondContact O-N 2.78Å; F849-S887 WeakPolarHBondContact O-CB 3.33Å; F849-S887 PolarHBondContact O-OG 2.71Å; F849-L894 HydrophobicContact CD1-CD1 4.27Å; F849-L894 HydrophobicContact CE1-CD1 3.78Å; F849-A912 VanDerWaalsContact CD2-O 3.23Å; F849-A912 WeakPolarHBondContact CD2-O 3.13Å; F849-A912 HydrophobicContact CE2-CB 4.3Å; F849-A912 WeakPolarHBondContact CE2-O 3.34Å; F849-A912 HydrophobicContact CZ-CB 4.02Å; F849-I913 HydrophobicContact CB-CB 4.36Å; F849-I913 HydrophobicContact CB-CG2 3.86Å; F849-I913 HydrophobicContact CD1-CG2 4.03Å; F849-I913 HydrophobicContact CG-CG2 3.92Å |
| 850 | V | 91.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -93 | -31 | -172.8 | -179.2 | 0 | 0 | 0 | 0 | 114.1 | L846 L847 Q848 F873 T889 L894 | L846-V850 HydrophobicContact CD1-CG2 4.2Å; L846-V850 WeakPolarHBondContact O-CG2 3.27Å; L846-V850 PolarHBondContact O-N 3.4Å; L846-V850 VanDerWaalsContact O-N 3.16Å; L847-V850 PolarHBondContact O-N 2.8Å; Q848-V850 VanDerWaalsContact C-N 3.34Å; Q848-V850 PolarHBondContact O-N 3.46Å; V850-F873 HydrophobicContact CB-CD2 4.48Å; V850-F873 HydrophobicContact CB-CE2 3.64Å; V850-F873 HydrophobicContact CB-CZ 4.13Å; V850-F873 HydrophobicContact CG1-CD2 3.9Å; V850-F873 HydrophobicContact CG1-CE2 3.38Å; V850-F873 HydrophobicContact CG1-CZ 3.81Å; V850-F873 HydrophobicContact CG2-CE2 4.07Å; V850-F873 HydrophobicContact CG2-CZ 4.07Å; V850-T889 WeakPolarHBondContact O-CA 3.32Å; V850-L894 HydrophobicContact CG1-CB 4.18Å; V850-L894 HydrophobicContact CG2-CB 3.95Å; V850-L894 HydrophobicContact CG2-CD1 4.07Å; V850-L894 HydrophobicContact CG2-CG 4.43Å |
| 851 | T | 86.5 | Confident | 85.6 | Confident | 15 Ų | 15 | 18.4 Ų | 18.4 | 9% | 0.092 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -108.8 | -16.9 | -176.9 | 68.5 | 0 | 0 | 0 | 0 | 113.5 | L847 T853 L864 F873 N892 | L847-T851 HydrophobicContact CD1-CG2 3.72Å; L847-T851 HydrophobicContact CG-CG2 4.37Å; L847-T851 PolarHBondContact O-N 3.4Å; L847-T851 PolarHBondContact O-OG1 2.91Å; T851-T853 VanDerWaalsContact C-N 3.35Å; T851-T853 PolarHBondContact OG1-N 3.37Å; T851-T853 PolarHBondContact OG1-O 3.25Å; T851-T853 VanDerWaalsContact OG1-O 3.13Å; T851-L864 HydrophobicContact CG2-CD2 4.27Å; T851-F873 HydrophobicContact CG2-CD2 4.43Å; T851-N892 WeakPolarHBondContact CA-OD1 3.5Å; T851-N892 VanDerWaalsContact CB-OD1 3.27Å; T851-N892 WeakPolarHBondContact CB-OD1 3.46Å; T851-N892 HydrophobicContact CG2-CB 4.41Å; T851-N892 WeakPolarHBondContact CG2-OD1 3.38Å |
| 852 | G | 82.3 | Confident | 85.9 | Confident | 17 Ų | 17 | 18.8 Ų | 18.8 | 18% | 0.175 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 79.3 | 12.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L680 Q848 | L680-G852 WeakPolarHBondContact CG-O 3.32Å; Q848-G852 VanDerWaalsContact O-CA 3.23Å; Q848-G852 WeakPolarHBondContact O-CA 3.32Å; Q848-G852 PolarHBondContact O-N 2.95Å |
| 853 | T | 82.1 | Confident | 85.8 | Confident | 8 Ų | 8 | 22.9 Ų | 22.9 | 5% | 0.049 | 14% | 0.136 | C | C | . | . | trans | -150.2 | 157.4 | 176.1 | -173.9 | 0 | 0 | 0 | 0 | 112.5 | Y639 E798 Q848 T851 R855 | Y639-T853 HydrophobicContact CE1-CG2 3.69Å; E798-T853 WeakPolarHBondContact OE1-CA 3.35Å; E798-T853 VanDerWaalsContact OE1-CB 3.31Å; E798-T853 WeakPolarHBondContact OE1-CB 3.27Å; E798-T853 PolarHBondContact OE1-OG1 3.25Å; E798-T853 WeakPolarHBondContact OE2-CA 3.46Å; Q848-T853 WeakPolarHBondContact CA-O 3.38Å; Q848-T853 VanDerWaalsContact CG-C 3.45Å; Q848-T853 WeakPolarHBondContact CG-O 3.39Å; Q848-T853 PolarHBondContact N-O 2.82Å; T851-T853 VanDerWaalsContact C-N 3.35Å; T851-T853 PolarHBondContact OG1-N 3.37Å; T851-T853 PolarHBondContact OG1-O 3.25Å; T851-T853 VanDerWaalsContact OG1-O 3.13Å; T853-R855 WeakPolarHBondContact CG2-O 3.44Å; T853-R855 PolarHBondContact OG1-N 3.06Å; T853-R855 VanDerWaalsContact OG1-N 3.11Å | ||
| 854 | C | 82.6 | Confident | 85.5 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -82.1 | -16.1 | 167.8 | 71.9 | 0 | 0 | 0 | 0 | 113.1 | E798 V799 C802 M844 Q848 | E798-C854 VanDerWaalsContact CD-N 3.27Å; E798-C854 PolarHBondContact OE1-N 3.45Å; E798-C854 PolarHBondContact OE1-SG 2.77Å; E798-C854 VanDerWaalsContact OE1-SG 3.33Å; E798-C854 PolarHBondContact OE2-N 3.18Å; V799-C854 HydrophobicContact CG2-CB 3.85Å; C802-C854 VanDerWaalsContact CB-SG 3.53Å; M844-C854 HydrophobicContact CE-CB 3.75Å; M844-C854 WeakPolarHBondContact CE-O 3.45Å; Q848-C854 HydrophobicContact CG-CB 3.89Å |
| 855 | R | 82.4 | Confident | 85.1 | Confident | 33 Ų | 33 | 23.8 Ų | 23.8 | 13% | 0.125 | 14% | 0.143 | C | C | . | . | trans | -85.7 | 155.1 | -173.5 | -60.8 | 179 | -60.4 | 153.1 | 6.6 | 112.4 | Y639 D675 G677 C802 T853 | Y639-R855 PolarHBondContact OH-O 3.43Å; D675-R855 PolarHBondContact O-NH1 3.08Å; G677-R855 VanDerWaalsContact N-CZ 3.33Å; G677-R855 VanDerWaalsContact N-NH1 3.19Å; G677-R855 PolarHBondContact O-NH2 3.42Å; C802-R855 HydrophobicContact CB-CG 4.2Å; T853-R855 WeakPolarHBondContact CG2-O 3.44Å; T853-R855 PolarHBondContact OG1-N 3.06Å; T853-R855 VanDerWaalsContact OG1-N 3.11Å | ||
| 856 | L | 82.3 | Confident | 84.5 | Confident | 21 Ų | 21 | 23.8 Ų | 23.8 | 11% | 0.11 | 15% | 0.146 | C | C | . | . | trans | -122.5 | 153.6 | 169 | -66.9 | 173.9 | 0 | 0 | 0 | 110.6 | L847 F861 L864 | L847-L856 HydrophobicContact CD1-CD2 3.99Å; L847-L856 HydrophobicContact CD2-CD2 3.75Å; L847-L856 HydrophobicContact CD2-CG 3.94Å; L847-L856 HydrophobicContact CG-CD2 4.49Å; L856-F861 HydrophobicContact CD1-CD2 4.23Å; L856-F861 HydrophobicContact CD1-CE2 3.53Å; L856-F861 HydrophobicContact CD1-CZ 3.75Å; L856-F861 HydrophobicContact CD2-CD1 4.13Å; L856-F861 HydrophobicContact CD2-CD2 4.49Å; L856-F861 HydrophobicContact CD2-CE1 3.69Å; L856-F861 HydrophobicContact CD2-CE2 4.09Å; L856-F861 HydrophobicContact CD2-CZ 3.67Å; L856-F861 HydrophobicContact CG-CE2 4.5Å; L856-F861 HydrophobicContact CG-CZ 4.37Å; L856-L864 HydrophobicContact CD2-CD1 4.17Å | ||
| 857 | P | 78.7 | Confident | 83.5 | Confident | 27 Ų | 27 | 24.9 Ų | 24.9 | 18% | 0.175 | 15% | 0.154 | C | C | . | . | trans | -61.3 | 161.5 | 168.4 | -19.9 | 32 | 0 | 0 | 0 | 113 | G859 G860 E863 L864 | P857-G859 VanDerWaalsContact C-N 3.33Å; P857-G859 PolarHBondContact O-N 2.82Å; P857-G860 PolarHBondContact O-N 2.99Å; P857-E863 HydrophobicContact CB-CB 4.03Å; P857-E863 HydrophobicContact CG-CB 4.45Å; P857-L864 HydrophobicContact CG-CD1 4.45Å | ||
| 858 | L | 74.2 | Confident | 82.5 | Confident | 75 Ų | 75 | 31.2 Ų | 31.2 | 39% | 0.393 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -35.4 | -178.6 | -55.7 | 179.6 | 0 | 0 | 0 | 112.9 | A433 Q436 G860 | A433-L858 HydrophobicContact CB-CD1 3.94Å; A433-L858 HydrophobicContact CB-CD2 3.55Å; A433-L858 HydrophobicContact CB-CG 4.42Å; Q436-L858 PolarHBondContact NE2-O 3.02Å; Q436-L858 VanDerWaalsContact OE1-CD2 3.28Å; L858-G860 VanDerWaalsContact C-N 3.29Å; L858-G860 PolarHBondContact O-N 3.15Å |
| 859 | G | 78.4 | Confident | 81.9 | Confident | 35 Ų | 35 | 31.8 Ų | 31.8 | 36% | 0.361 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 17.9 | 170 | 0 | 0 | 0 | 0 | 0 | 115.1 | P857 E863 | P857-G859 VanDerWaalsContact C-N 3.33Å; P857-G859 PolarHBondContact O-N 2.82Å; G859-E863 WeakPolarHBondContact CA-OE2 3.39Å; G859-E863 PolarHBondContact N-OE2 2.84Å |
| 860 | G | 86 | Confident | 81.6 | Confident | 18 Ų | 18 | 36.4 Ų | 36.4 | 19% | 0.186 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | 70.3 | -148.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | P857 L858 A862 E863 | P857-G860 PolarHBondContact O-N 2.99Å; L858-G860 VanDerWaalsContact C-N 3.29Å; L858-G860 PolarHBondContact O-N 3.15Å; G860-A862 PolarHBondContact O-N 3.01Å; G860-E863 PolarHBondContact O-N 3.04Å |
| 861 | F | 90.8 | Very high | 81.3 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -74.3 | -10 | -177 | -67 | -93.2 | 0 | 0 | 0 | 113 | V807 D811 W812 N815 L847 L856 E863 L864 | V807-F861 HydrophobicContact CG1-CE2 3.77Å; V807-F861 HydrophobicContact CG1-CZ 3.74Å; D811-F861 HydrophobicContact CB-CD2 4.32Å; D811-F861 WeakPolarHBondContact OD2-CA 3.15Å; D811-F861 WeakPolarHBondContact OD2-CB 3.32Å; D811-F861 PolarHBondContact OD2-N 2.87Å; W812-F861 HydrophobicContact CB-CD1 4.38Å; W812-F861 HydrophobicContact CB-CD2 3.8Å; W812-F861 HydrophobicContact CB-CE1 4.18Å; W812-F861 HydrophobicContact CB-CE2 3.58Å; W812-F861 HydrophobicContact CB-CG 4.2Å; W812-F861 HydrophobicContact CB-CZ 3.78Å; W812-F861 AromaticContact CD1-CD1 3.57Å; W812-F861 AromaticContact CD1-CE1 3.35Å; W812-F861 AromaticContact CD1-CZ 3.79Å; W812-F861 AromaticContact CD2-CE1 3.82Å; W812-F861 HydrophobicContact CD2-CE1 3.82Å; W812-F861 HydrophobicContact CD2-CE2 4.27Å; W812-F861 AromaticContact CD2-CZ 3.57Å; W812-F861 HydrophobicContact CD2-CZ 3.57Å; W812-F861 AromaticContact CE2-CE1 3.8Å; W812-F861 AromaticContact CE2-CZ 3.98Å; W812-F861 HydrophobicContact CE3-CZ 4.04Å; W812-F861 AromaticContact CG-CD1 3.99Å; W812-F861 HydrophobicContact CG-CD1 3.99Å; W812-F861 HydrophobicContact CG-CD2 4.23Å; W812-F861 AromaticContact CG-CE1 3.55Å; W812-F861 HydrophobicContact CG-CE1 3.55Å; W812-F861 AromaticContact CG-CE2 3.82Å; W812-F861 HydrophobicContact CG-CE2 3.82Å; W812-F861 HydrophobicContact CG-CG 4.31Å; W812-F861 AromaticContact CG-CZ 3.45Å; W812-F861 HydrophobicContact CG-CZ 3.45Å; W812-F861 VanDerWaalsContact CG-CZ 3.45Å; W812-F861 AromaticContact NE1-CE1 3.54Å; N815-F861 HydrophobicContact CB-CB 3.71Å; N815-F861 WeakPolarHBondContact CB-O 3.37Å; L847-F861 HydrophobicContact CD1-CE1 3.72Å; L847-F861 HydrophobicContact CD1-CZ 4.08Å; L856-F861 HydrophobicContact CD1-CD2 4.23Å; L856-F861 HydrophobicContact CD1-CE2 3.53Å; L856-F861 HydrophobicContact CD1-CZ 3.75Å; L856-F861 HydrophobicContact CD2-CD1 4.13Å; L856-F861 HydrophobicContact CD2-CD2 4.49Å; L856-F861 HydrophobicContact CD2-CE1 3.69Å; L856-F861 HydrophobicContact CD2-CE2 4.09Å; L856-F861 HydrophobicContact CD2-CZ 3.67Å; L856-F861 HydrophobicContact CG-CE2 4.5Å; L856-F861 HydrophobicContact CG-CZ 4.37Å; F861-E863 VanDerWaalsContact C-N 3.3Å; F861-L864 HydrophobicContact CD1-CD2 4.48Å |
| 862 | A | 90 | Very high | 81.7 | Confident | 44 Ų | 44 | 42 Ų | 42 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -66 | -35.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N815 G860 K872 | N815-A862 PolarHBondContact ND2-N 3.28Å; N815-A862 WeakPolarHBondContact OD1-CA 3.4Å; G860-A862 PolarHBondContact O-N 3.01Å; A862-K872 VanDerWaalsContact O-CE 3.31Å; A862-K872 WeakPolarHBondContact O-CE 3.38Å |
| 863 | E | 86.3 | Confident | 82.4 | Confident | 111 Ų | 111 | 41.2 Ų | 41.2 | 52% | 0.519 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -105.1 | 15.1 | -174.8 | -60.2 | -176.3 | 155.6 | 0 | 0 | 112.9 | P857 G859 G860 F861 M865 | P857-E863 HydrophobicContact CB-CB 4.03Å; P857-E863 HydrophobicContact CG-CB 4.45Å; G859-E863 WeakPolarHBondContact CA-OE2 3.39Å; G859-E863 PolarHBondContact N-OE2 2.84Å; G860-E863 PolarHBondContact O-N 3.04Å; F861-E863 VanDerWaalsContact C-N 3.3Å; E863-M865 PolarHBondContact O-N 3.31Å |
| 864 | L | 85.3 | Confident | 83.1 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | trans | -58.4 | 129.5 | -177.2 | -162 | 72.3 | 0 | 0 | 0 | 111.3 | T851 L856 P857 F861 Q871 F873 N892 | T851-L864 HydrophobicContact CG2-CD2 4.27Å; L856-L864 HydrophobicContact CD2-CD1 4.17Å; P857-L864 HydrophobicContact CG-CD1 4.45Å; F861-L864 HydrophobicContact CD1-CD2 4.48Å; L864-Q871 CarbonylContact O-C 3.56Å; L864-Q871 PolarHBondContact O-N 3.09Å; L864-F873 HydrophobicContact CD2-CB 4.04Å; L864-N892 HydrophobicContact CD2-CB 3.79Å | ||
| 865 | M | 78.3 | Confident | 83.9 | Confident | 61 Ų | 61 | 40.8 Ų | 40.8 | 30% | 0.3 | 24% | 0.239 | S | C | . | . | B | Isolated β-bridge | trans | -105.1 | 145.9 | -176.7 | -64.9 | -65 | -72.6 | 0 | 0 | 111.2 | E863 P870 N892 | E863-M865 PolarHBondContact O-N 3.31Å; M865-P870 HydrophobicContact CE-CG 4.43Å; M865-P870 VanDerWaalsContact SD-CA 3.58Å; M865-P870 HydrophobicContact SD-CB 4.09Å; M865-P870 HydrophobicContact SD-CG 3.86Å; M865-N892 PolarHBondContact O-ND2 3.09Å |
| 866 | G | 76.4 | Confident | 84.6 | Confident | 10 Ų | 10 | 40.5 Ų | 40.5 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | trans | -114.3 | -156 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N637 G869 C890 | N637-G866 PolarHBondContact ND2-O 2.91Å; G866-G869 PolarHBondContact N-O 3.26Å; G866-C890 CarbonylContact C-O 3.51Å; G866-C890 VanDerWaalsContact CA-O 3.25Å; G866-C890 WeakPolarHBondContact CA-O 3.27Å | ||
| 867 | S | 70.4 | Confident | 85.4 | Confident | 25 Ų | 25 | 44.2 Ų | 44.2 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -76.9 | -28.6 | 175.4 | 61.4 | 0 | 0 | 0 | 0 | 114.2 | N637 C890 | N637-S867 PolarHBondContact ND2-O 2.76Å; S867-C890 PolarHBondContact N-O 3.13Å |
| 868 | N | 70.3 | Confident | 86 | Confident | 132 Ų | 132 | 44.6 Ų | 44.6 | 71% | 0.706 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -110.4 | -7.6 | -170.3 | -72.1 | -27.1 | 0 | 0 | 0 | 115.4 | ||
| 869 | G | 75.7 | Confident | 86.9 | Confident | 15 Ų | 15 | 42.8 Ų | 42.8 | 16% | 0.155 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 164 | -163.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N637 G866 Q871 | N637-G869 VanDerWaalsContact ND2-CA 3.28Å; N637-G869 WeakPolarHBondContact ND2-CA 3.09Å; N637-G869 PolarHBondContact ND2-N 3.43Å; N637-G869 PolarHBondContact ND2-O 3.21Å; G866-G869 PolarHBondContact N-O 3.26Å; G869-Q871 PolarHBondContact O-N 3.3Å |
| 870 | P | 83.8 | Confident | 87.6 | Confident | 109 Ų | 109 | 47.7 Ų | 47.7 | 71% | 0.708 | 27% | 0.267 | S | S | * | . | B | Isolated β-bridge | trans | -54.4 | 122.3 | 160.6 | -22.2 | 33.7 | 0 | 0 | 0 | 110 | M865 | M865-P870 HydrophobicContact CE-CG 4.43Å; M865-P870 VanDerWaalsContact SD-CA 3.58Å; M865-P870 HydrophobicContact SD-CB 4.09Å; M865-P870 HydrophobicContact SD-CG 3.86Å |
| 871 | Q | 85.6 | Confident | 87.8 | Confident | 53 Ų | 53 | 48.8 Ų | 48.8 | 25% | 0.248 | 27% | 0.268 | C | S | . | . | trans | -148.7 | 96.1 | -167.5 | 176.5 | 62.2 | 17.7 | 0 | 0 | 109.1 | L864 G869 F891 N892 | L864-Q871 CarbonylContact O-C 3.56Å; L864-Q871 PolarHBondContact O-N 3.09Å; G869-Q871 PolarHBondContact O-N 3.3Å; Q871-F891 WeakPolarHBondContact CG-O 3.37Å; Q871-F891 PolarHBondContact NE2-O 3.1Å; Q871-N892 PolarHBondContact O-ND2 2.95Å | ||
| 872 | K | 93.5 | Very high | 87.8 | Confident | 78 Ų | 78 | 53.5 Ų | 53.5 | 34% | 0.339 | 30% | 0.297 | S | S | . | . | trans | -66.3 | 154.1 | -177.9 | -61.4 | -161.4 | 175.6 | -164.9 | 0 | 112.5 | N815 V817 A862 C874 | N815-K872 HydrophobicContact CB-CD 4.31Å; N815-K872 WeakPolarHBondContact O-CD 3.44Å; N815-K872 PolarHBondContact OD1-NZ 3.09Å; V817-K872 HydrophobicContact CG1-CB 4.41Å; A862-K872 VanDerWaalsContact O-CE 3.31Å; A862-K872 WeakPolarHBondContact O-CE 3.38Å; K872-C874 PolarHBondContact O-N 3.36Å | ||
| 873 | F | 97.2 | Very high | 87.9 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | trans | -53.3 | 127.8 | 174.6 | -169.8 | -85.3 | 0 | 0 | 0 | 110.4 | W812 T816 V817 F831 V850 T851 L864 I875 N892 | W812-F873 AromaticContact CD1-CG 3.99Å; W812-F873 AromaticContact CE2-CE2 3.78Å; W812-F873 AromaticContact CE2-CZ 3.88Å; W812-F873 HydrophobicContact CZ2-CD2 4.31Å; W812-F873 HydrophobicContact CZ2-CE1 4.48Å; W812-F873 AromaticContact CZ2-CE2 3.58Å; W812-F873 HydrophobicContact CZ2-CE2 3.58Å; W812-F873 AromaticContact CZ2-CZ 3.69Å; W812-F873 HydrophobicContact CZ2-CZ 3.69Å; W812-F873 AromaticContact NE1-CD1 3.45Å; W812-F873 AromaticContact NE1-CD2 3.3Å; W812-F873 VanDerWaalsContact NE1-CD2 3.3Å; W812-F873 AromaticContact NE1-CE1 3.53Å; W812-F873 AromaticContact NE1-CE2 3.36Å; W812-F873 AromaticContact NE1-CG 3.34Å; W812-F873 VanDerWaalsContact NE1-CG 3.34Å; W812-F873 AromaticContact NE1-CZ 3.49Å; T816-F873 CarbonylContact C-O 3.35Å; T816-F873 WeakPolarHBondContact CA-O 3.25Å; T816-F873 HydrophobicContact CG2-CD1 3.81Å; T816-F873 HydrophobicContact CG2-CE1 4.44Å; T816-F873 WeakPolarHBondContact OG1-CD1 3.15Å; V817-F873 PolarHBondContact N-O 3.49Å; F831-F873 HydrophobicContact CE1-CE1 4.4Å; F831-F873 HydrophobicContact CZ-CE1 4.05Å; F831-F873 HydrophobicContact CZ-CZ 4.08Å; V850-F873 HydrophobicContact CB-CD2 4.48Å; V850-F873 HydrophobicContact CB-CE2 3.64Å; V850-F873 HydrophobicContact CB-CZ 4.13Å; V850-F873 HydrophobicContact CG1-CD2 3.9Å; V850-F873 HydrophobicContact CG1-CE2 3.38Å; V850-F873 HydrophobicContact CG1-CZ 3.81Å; V850-F873 HydrophobicContact CG2-CE2 4.07Å; V850-F873 HydrophobicContact CG2-CZ 4.07Å; T851-F873 HydrophobicContact CG2-CD2 4.43Å; L864-F873 HydrophobicContact CD2-CB 4.04Å; F873-I875 HydrophobicContact CD1-CG1 4.35Å; F873-I875 HydrophobicContact CE1-CD1 4.14Å; F873-I875 HydrophobicContact CE1-CG1 3.87Å; F873-N892 WeakPolarHBondContact CA-O 3.44Å | ||
| 874 | C | 97.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 132.1 | -169.3 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | V817 K872 N892 R893 L894 | V817-C874 HydrophobicContact CG2-CB 3.73Å; V817-C874 WeakPolarHBondContact O-CA 3.2Å; K872-C874 PolarHBondContact O-N 3.36Å; C874-N892 PolarHBondContact N-O 2.8Å; C874-R893 HydrophobicContact CB-CB 4.26Å; C874-R893 HydrophobicContact CB-CG 4.29Å; C874-R893 CarbonylContact O-C 3.59Å; C874-R893 WeakPolarHBondContact O-CA 3.48Å; C874-L894 PolarHBondContact O-N 3Å |
| 875 | I | 98.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.1 | 170.7 | -51.2 | -179 | 0 | 0 | 0 | 109.5 | T816 V817 Y818 R819 Y821 I828 F831 F873 L894 L896 | T816-I875 HydrophobicContact CG2-CD1 4.16Å; T816-I875 HydrophobicContact CG2-CG1 4.03Å; V817-I875 PolarHBondContact O-N 2.98Å; Y818-I875 WeakPolarHBondContact CA-O 3.48Å; Y818-I875 HydrophobicContact CD1-CB 4.23Å; Y818-I875 HydrophobicContact CE1-CD1 4.23Å; R819-I875 PolarHBondContact N-O 3.33Å; Y821-I875 HydrophobicContact CD2-CG2 4.26Å; Y821-I875 HydrophobicContact CE2-CG2 4.49Å; I828-I875 HydrophobicContact CD1-CB 4.05Å; I828-I875 HydrophobicContact CD1-CD1 4.13Å; I828-I875 HydrophobicContact CD1-CG2 3.65Å; F831-I875 HydrophobicContact CD1-CD1 3.54Å; F831-I875 HydrophobicContact CD2-CD1 4.21Å; F831-I875 HydrophobicContact CE1-CD1 3.56Å; F831-I875 HydrophobicContact CE2-CD1 4.22Å; F831-I875 HydrophobicContact CG-CD1 3.89Å; F831-I875 HydrophobicContact CZ-CD1 3.91Å; F873-I875 HydrophobicContact CD1-CG1 4.35Å; F873-I875 HydrophobicContact CE1-CD1 4.14Å; F873-I875 HydrophobicContact CE1-CG1 3.87Å; I875-L894 WeakPolarHBondContact CA-O 3.23Å; I875-L894 HydrophobicContact CG1-CD2 4.49Å; I875-L896 HydrophobicContact CG2-CB 3.62Å; I875-L896 HydrophobicContact CG2-CD2 3.76Å; I875-L896 HydrophobicContact CG2-CG 4.35Å |
| 876 | E | 98 | Very high | 89 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 13% | 0.126 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.8 | -176.6 | -169.6 | 162.4 | 155.3 | 0 | 0 | 111.2 | R819 V878 R893 L894 L896 | R819-E876 HydrophobicContact CB-CB 3.97Å; R819-E876 HydrophobicContact CB-CG 3.64Å; R819-E876 WeakPolarHBondContact CD-OE2 3.5Å; R819-E876 IonicContact CZ-OE2 2.96Å; R819-E876 IonicContact NE-OE2 3.26Å; R819-E876 IonicContact NH1-OE2 3.02Å; R819-E876 PolarHBondContact NH1-OE2 3.01Å; R819-E876 WeakPolarHBondContact O-CA 3.39Å; E876-V878 HydrophobicContact CB-CG2 4.39Å; E876-V878 HydrophobicContact CG-CG2 4Å; E876-V878 PolarHBondContact O-N 3.09Å; E876-R893 HydrophobicContact CB-CG 4.22Å; E876-R893 IonicContact OE1-NH1 3.36Å; E876-R893 PolarHBondContact OE1-NH1 2.78Å; E876-R893 WeakPolarHBondContact OE2-CD 3.11Å; E876-R893 IonicContact OE2-CZ 3.63Å; E876-R893 IonicContact OE2-NE 3.29Å; E876-R893 IonicContact OE2-NH1 2.73Å; E876-R893 PolarHBondContact OE2-NH1 3.09Å; E876-L894 PolarHBondContact N-O 3.43Å; E876-L896 PolarHBondContact O-N 2.75Å |
| 877 | K | 97.6 | Very high | 89.6 | Confident | 99 Ų | 99 | 54.2 Ų | 54.2 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | trans | -78.8 | 109.6 | 176.6 | -178.5 | -174.1 | 169.9 | -171 | 0 | 110.3 | R819 H820 Y821 | R819-K877 PolarHBondContact O-N 2.77Å; H820-K877 HydrophobicContact CB-CB 3.84Å; H820-K877 WeakPolarHBondContact O-CD 3.37Å; Y821-K877 HydrophobicContact CD1-CB 4.16Å; Y821-K877 HydrophobicContact CD1-CD 4.29Å; Y821-K877 HydrophobicContact CD1-CG 4.45Å; Y821-K877 HydrophobicContact CD2-CB 3.63Å; Y821-K877 HydrophobicContact CE1-CB 3.98Å; Y821-K877 HydrophobicContact CE1-CD 3.92Å; Y821-K877 HydrophobicContact CE1-CG 3.89Å; Y821-K877 VanDerWaalsContact CE2-CA 3.46Å; Y821-K877 HydrophobicContact CE2-CB 3.44Å; Y821-K877 VanDerWaalsContact CE2-CB 3.44Å; Y821-K877 HydrophobicContact CE2-CG 3.99Å; Y821-K877 HydrophobicContact CG-CB 3.98Å | ||
| 878 | V | 92.9 | Very high | 90.3 | Very high | 35 Ų | 35 | 54.6 Ų | 54.6 | 21% | 0.212 | 28% | 0.283 | C | S | . | . | trans | -131.3 | 146.1 | -179.5 | -174.4 | 0 | 0 | 0 | 0 | 110.7 | E876 W883 D895 P897 | E876-V878 HydrophobicContact CB-CG2 4.39Å; E876-V878 HydrophobicContact CG-CG2 4Å; E876-V878 PolarHBondContact O-N 3.09Å; V878-W883 HydrophobicContact CG1-CZ3 4.47Å; V878-D895 HydrophobicContact CB-CB 4.11Å; V878-D895 HydrophobicContact CG2-CB 4.1Å; V878-P897 WeakPolarHBondContact O-CA 3.43Å | ||
| 879 | G | 92.8 | Very high | 91 | Very high | 37 Ų | 37 | 49.6 Ų | 49.6 | 38% | 0.381 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 76.8 | -159.2 | 166 | 0 | 0 | 0 | 0 | 0 | 117.2 | W883 | G879-W883 VanDerWaalsContact CA-CZ3 3.42Š|
| 880 | K | 92.3 | Very high | 91.1 | Very high | 137 Ų | 137 | 49.3 Ų | 49.3 | 60% | 0.596 | 25% | 0.253 | S | S | * | . | trans | -111.1 | 156.4 | -179.3 | -62 | 177.8 | -177.1 | 173.9 | 0 | 110.2 | T882 W883 P897 | K880-T882 PolarHBondContact O-N 2.95Å; K880-W883 WeakPolarHBondContact O-CB 3.38Å; K880-W883 PolarHBondContact O-N 3.14Å; K880-P897 WeakPolarHBondContact O-CB 3.43Å | ||
| 881 | D | 90.9 | Very high | 91.1 | Very high | 41 Ų | 41 | 47 Ų | 47 | 22% | 0.219 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -5.7 | 178.8 | 50.9 | -69.9 | 0 | 0 | 0 | 115.6 | Y899 K900 Q904 | D881-Y899 HydrophobicContact CB-CD1 4.21Å; D881-Y899 WeakPolarHBondContact O-CD1 3.29Å; D881-Y899 WeakPolarHBondContact O-CE1 3.38Å; D881-K900 WeakPolarHBondContact OD1-CE 3.4Å; D881-K900 IonicContact OD1-NZ 2.75Å; D881-K900 PolarHBondContact OD1-NZ 2.8Å; D881-K900 WeakPolarHBondContact OD2-CE 3.19Å; D881-K900 IonicContact OD2-NZ 3.31Å; D881-K900 PolarHBondContact OD2-NZ 2.97Å; D881-Q904 PolarHBondContact O-NE2 2.75Å |
| 882 | T | 91.4 | Very high | 91.4 | Very high | 101 Ų | 101 | 44.7 Ų | 44.7 | 62% | 0.62 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -21 | 168.2 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | K880 | K880-T882 PolarHBondContact O-N 2.95Š|
| 883 | W | 90.8 | Very high | 91.4 | Very high | 108 Ų | 108 | 43 Ų | 43 | 41% | 0.409 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -74.2 | 155.8 | -174.9 | -66 | 5.1 | 0 | 0 | 0 | 111.8 | V878 G879 K880 P897 Y899 | V878-W883 HydrophobicContact CG1-CZ3 4.47Å; G879-W883 VanDerWaalsContact CA-CZ3 3.42Å; K880-W883 WeakPolarHBondContact O-CB 3.38Å; K880-W883 PolarHBondContact O-N 3.14Å; W883-P897 HydrophobicContact CB-CG 4.12Å; W883-Y899 WeakPolarHBondContact O-CE1 3.28Å; W883-Y899 PolarHBondContact O-OH 2.8Å |
| 884 | L | 89.9 | Confident | 91.4 | Very high | 43 Ų | 43 | 42.9 Ų | 42.9 | 23% | 0.225 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -77.8 | 154.9 | 166.2 | -73.4 | 167.8 | 0 | 0 | 0 | 110.8 | K908 F911 F919 | L884-K908 HydrophobicContact CD2-CB 4.34Å; L884-K908 HydrophobicContact CD2-CD 3.69Å; L884-F911 HydrophobicContact CD1-CD1 3.89Å; L884-F911 HydrophobicContact CD1-CE1 3.84Å; L884-F911 HydrophobicContact CD2-CB 4.45Å; L884-F911 HydrophobicContact CD2-CD1 3.63Å; L884-F911 HydrophobicContact CD2-CE1 4.34Å; L884-F911 HydrophobicContact CD2-CG 4.4Å; L884-F911 HydrophobicContact CG-CD1 4.44Å; L884-F919 HydrophobicContact CD1-CD1 4.01Å; L884-F919 HydrophobicContact CD1-CE1 3.54Å; L884-F919 HydrophobicContact CD1-CZ 4.23Å |
| 885 | P | 93.6 | Very high | 91.3 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 4% | 0.039 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 150.5 | 167.7 | -16.1 | 32.3 | 0 | 0 | 0 | 110.2 | L894 D895 Y899 K908 L909 A912 | P885-L894 HydrophobicContact CB-CD1 4Å; P885-D895 WeakPolarHBondContact CA-O 3.41Å; P885-Y899 WeakPolarHBondContact CD-OH 3.46Å; P885-Y899 HydrophobicContact CG-CE2 4.32Å; P885-Y899 WeakPolarHBondContact CG-OH 3.24Å; P885-K908 VanDerWaalsContact CD-O 3.26Å; P885-K908 WeakPolarHBondContact CD-O 3.08Å; P885-L909 HydrophobicContact CB-CD1 4.19Å; P885-L909 HydrophobicContact CG-CB 4.45Å; P885-L909 HydrophobicContact CG-CD1 4.04Å; P885-A912 HydrophobicContact CG-CB 4.38Å |
| 886 | R | 90.1 | Very high | 91.3 | Very high | 82 Ų | 82 | 43.1 Ų | 43.1 | 31% | 0.309 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 160.7 | 177.1 | -50.9 | -179.5 | -56.9 | -179.1 | 7.4 | 109.8 | D895 | R886-D895 HydrophobicContact CB-CB 4.06Å; R886-D895 IonicContact CZ-OD2 2.82Å; R886-D895 PolarHBondContact N-O 3.46Å; R886-D895 VanDerWaalsContact N-O 3.1Å; R886-D895 IonicContact NE-OD2 3.25Å; R886-D895 PolarHBondContact NE-OD2 3.01Å; R886-D895 IonicContact NH2-OD2 2.79Å; R886-D895 PolarHBondContact NH2-OD2 2.73Å; R886-D895 PolarHBondContact O-N 3.14Å |
| 887 | S | 88.4 | Confident | 91.3 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 148.3 | 179.6 | 54.8 | 0 | 0 | 0 | 0 | 111.9 | F849 R893 | F849-S887 WeakPolarHBondContact O-CB 3.33Å; F849-S887 PolarHBondContact O-OG 2.71Å; S887-R893 VanDerWaalsContact CA-O 3.3Å; S887-R893 WeakPolarHBondContact CA-O 3.23Å |
| 888 | H | 85.3 | Confident | 91.3 | Very high | 33 Ų | 33 | 38.3 Ų | 38.3 | 15% | 0.153 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 96.6 | 169.3 | -61.3 | -90.8 | 0 | 0 | 0 | 108 | E697 C890 F891 N892 R893 D895 | E697-H888 IonicContact OE1-CE1 2.75Å; E697-H888 IonicContact OE1-CG 3.51Å; E697-H888 IonicContact OE1-ND1 3.8Å; E697-H888 PolarHBondContact OE1-ND1 3.41Å; E697-H888 IonicContact OE2-ND1 3.75Å; H888-C890 PolarHBondContact O-N 2.87Å; H888-F891 HydrophobicContact CB-CB 4.48Å; H888-F891 HydrophobicContact CB-CD2 3.9Å; H888-F891 CarbonylContact O-C 3.53Å; H888-F891 PolarHBondContact O-N 2.94Å; H888-N892 PolarHBondContact O-N 2.74Å; H888-R893 HydrophobicContact CB-CB 4.46Å; H888-R893 PolarHBondContact CD2-NH2 3.47Å; H888-R893 PolarHBondContact N-O 2.89Å; H888-R893 PolarHBondContact NE2-NH2 2.7Å; H888-R893 PolarHBondContact O-N 2.86Å; H888-D895 IonicContact CD2-OD1 2.83Å; H888-D895 IonicContact NE2-OD1 2.77Å; H888-D895 IonicContact NE2-OD2 2.85Å |
| 889 | T | 84.3 | Confident | 91.5 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 17% | 0.166 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -63 | -40.7 | -169 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | V850 F891 N892 | V850-T889 WeakPolarHBondContact O-CA 3.32Å; T889-F891 PolarHBondContact O-N 3.03Å; T889-N892 PolarHBondContact O-N 2.98Å; T889-N892 PolarHBondContact O-OD1 3.4Å |
| 890 | C | 78.3 | Confident | 91.7 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 6% | 0.061 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -52.8 | -25.9 | 172.7 | -65.6 | 0 | 0 | 0 | 0 | 115.3 | E697 S698 T701 G866 S867 H888 | E697-C890 PolarHBondContact O-SG 2.9Å; S698-C890 VanDerWaalsContact CA-SG 3.57Å; T701-C890 PolarHBondContact OG1-SG 3.2Å; T701-C890 VanDerWaalsContact OG1-SG 3.32Å; G866-C890 CarbonylContact C-O 3.51Å; G866-C890 VanDerWaalsContact CA-O 3.25Å; G866-C890 WeakPolarHBondContact CA-O 3.27Å; S867-C890 PolarHBondContact N-O 3.13Å; H888-C890 PolarHBondContact O-N 2.87Å |
| 891 | F | 85 | Confident | 92 | Very high | 60 Ų | 60 | 37.4 Ų | 37.4 | 26% | 0.263 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -111.8 | 6 | -178.3 | -54.9 | -57.7 | 0 | 0 | 0 | 112.9 | T701 Q871 H888 T889 R893 | T701-F891 HydrophobicContact CG2-CE2 4.38Å; T701-F891 HydrophobicContact CG2-CZ 4.15Å; Q871-F891 WeakPolarHBondContact CG-O 3.37Å; Q871-F891 PolarHBondContact NE2-O 3.1Å; H888-F891 HydrophobicContact CB-CB 4.48Å; H888-F891 HydrophobicContact CB-CD2 3.9Å; H888-F891 CarbonylContact O-C 3.53Å; H888-F891 PolarHBondContact O-N 2.94Å; T889-F891 PolarHBondContact O-N 3.03Å; F891-R893 HydrophobicContact CB-CB 4.1Å; F891-R893 PolarHBondContact O-N 3.29Å; F891-R893 VanDerWaalsContact O-N 3.12Å |
| 892 | N | 90.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | 38.1 | -171.9 | -62.8 | -49.3 | 0 | 0 | 0 | 112.3 | T851 L864 M865 Q871 F873 C874 H888 T889 | T851-N892 WeakPolarHBondContact CA-OD1 3.5Å; T851-N892 VanDerWaalsContact CB-OD1 3.27Å; T851-N892 WeakPolarHBondContact CB-OD1 3.46Å; T851-N892 HydrophobicContact CG2-CB 4.41Å; T851-N892 WeakPolarHBondContact CG2-OD1 3.38Å; L864-N892 HydrophobicContact CD2-CB 3.79Å; M865-N892 PolarHBondContact O-ND2 3.09Å; Q871-N892 PolarHBondContact O-ND2 2.95Å; F873-N892 WeakPolarHBondContact CA-O 3.44Å; C874-N892 PolarHBondContact N-O 2.8Å; H888-N892 PolarHBondContact O-N 2.74Å; T889-N892 PolarHBondContact O-N 2.98Å; T889-N892 PolarHBondContact O-OD1 3.4Å |
| 893 | R | 94.4 | Very high | 92.6 | Very high | 42 Ų | 42 | 37.2 Ų | 37.2 | 16% | 0.158 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 127.9 | -168.4 | -176.6 | 176.7 | 71.3 | 175.9 | -0.4 | 112.3 | C874 E876 S887 H888 F891 D895 | C874-R893 HydrophobicContact CB-CB 4.26Å; C874-R893 HydrophobicContact CB-CG 4.29Å; C874-R893 CarbonylContact O-C 3.59Å; C874-R893 WeakPolarHBondContact O-CA 3.48Å; E876-R893 HydrophobicContact CB-CG 4.22Å; E876-R893 IonicContact OE1-NH1 3.36Å; E876-R893 PolarHBondContact OE1-NH1 2.78Å; E876-R893 WeakPolarHBondContact OE2-CD 3.11Å; E876-R893 IonicContact OE2-CZ 3.63Å; E876-R893 IonicContact OE2-NE 3.29Å; E876-R893 IonicContact OE2-NH1 2.73Å; E876-R893 PolarHBondContact OE2-NH1 3.09Å; S887-R893 VanDerWaalsContact CA-O 3.3Å; S887-R893 WeakPolarHBondContact CA-O 3.23Å; H888-R893 HydrophobicContact CB-CB 4.46Å; H888-R893 PolarHBondContact CD2-NH2 3.47Å; H888-R893 PolarHBondContact N-O 2.89Å; H888-R893 PolarHBondContact NE2-NH2 2.7Å; H888-R893 PolarHBondContact O-N 2.86Å; F891-R893 HydrophobicContact CB-CB 4.1Å; F891-R893 PolarHBondContact O-N 3.29Å; F891-R893 VanDerWaalsContact O-N 3.12Å; R893-D895 IonicContact CZ-OD1 3.47Å; R893-D895 IonicContact NE-OD1 3.48Å; R893-D895 PolarHBondContact NE-OD1 2.85Å; R893-D895 IonicContact NH2-OD1 3.6Å |
| 894 | L | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 114.4 | 165.9 | 179.2 | 65.3 | 0 | 0 | 0 | 109.8 | F831 F849 V850 C874 I875 E876 P885 L896 L909 | F831-L894 HydrophobicContact CD2-CD2 3.99Å; F831-L894 HydrophobicContact CE2-CD2 3.5Å; F831-L894 VanDerWaalsContact CE2-CD2 3.5Å; F831-L894 HydrophobicContact CZ-CD2 4.29Å; F849-L894 HydrophobicContact CD1-CD1 4.27Å; F849-L894 HydrophobicContact CE1-CD1 3.78Å; V850-L894 HydrophobicContact CG1-CB 4.18Å; V850-L894 HydrophobicContact CG2-CB 3.95Å; V850-L894 HydrophobicContact CG2-CD1 4.07Å; V850-L894 HydrophobicContact CG2-CG 4.43Å; C874-L894 PolarHBondContact O-N 3Å; I875-L894 WeakPolarHBondContact CA-O 3.23Å; I875-L894 HydrophobicContact CG1-CD2 4.49Å; E876-L894 PolarHBondContact N-O 3.43Å; P885-L894 HydrophobicContact CB-CD1 4Å; L894-L896 HydrophobicContact CD2-CB 4.41Å; L894-L896 HydrophobicContact CG-CB 4.28Å; L894-L896 PolarHBondContact O-N 2.87Å; L894-L909 HydrophobicContact CD1-CD1 4.42Å |
| 895 | D | 96.6 | Very high | 93.2 | Very high | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.027 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 109.1 | 161.4 | -79.4 | 17.1 | 0 | 0 | 0 | 107.5 | V878 P885 R886 H888 R893 | V878-D895 HydrophobicContact CB-CB 4.11Å; V878-D895 HydrophobicContact CG2-CB 4.1Å; P885-D895 WeakPolarHBondContact CA-O 3.41Å; R886-D895 HydrophobicContact CB-CB 4.06Å; R886-D895 IonicContact CZ-OD2 2.82Å; R886-D895 PolarHBondContact N-O 3.46Å; R886-D895 VanDerWaalsContact N-O 3.1Å; R886-D895 IonicContact NE-OD2 3.25Å; R886-D895 PolarHBondContact NE-OD2 3.01Å; R886-D895 IonicContact NH2-OD2 2.79Å; R886-D895 PolarHBondContact NH2-OD2 2.73Å; R886-D895 PolarHBondContact O-N 3.14Å; H888-D895 IonicContact CD2-OD1 2.83Å; H888-D895 IonicContact NE2-OD1 2.77Å; H888-D895 IonicContact NE2-OD2 2.85Å; R893-D895 IonicContact CZ-OD1 3.47Å; R893-D895 IonicContact NE-OD1 3.48Å; R893-D895 PolarHBondContact NE-OD1 2.85Å; R893-D895 IonicContact NH2-OD1 3.6Å |
| 896 | L | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -112.8 | 107.6 | -177.2 | -178.7 | 65.3 | 0 | 0 | 0 | 111.1 | Y821 Q827 I828 F831 I875 E876 L894 Y899 L905 | Y821-L896 HydrophobicContact CE2-CB 4.14Å; Y821-L896 HydrophobicContact CE2-CD2 4.39Å; Y821-L896 HydrophobicContact CE2-CG 4.41Å; Y821-L896 VanDerWaalsContact CE2-O 3.27Å; Y821-L896 WeakPolarHBondContact CE2-O 3.46Å; Y821-L896 PolarHBondContact OH-O 3.48Å; Q827-L896 HydrophobicContact CB-CD2 4.3Å; I828-L896 HydrophobicContact CD1-CD2 4.29Å; F831-L896 HydrophobicContact CB-CD2 4.31Å; I875-L896 HydrophobicContact CG2-CB 3.62Å; I875-L896 HydrophobicContact CG2-CD2 3.76Å; I875-L896 HydrophobicContact CG2-CG 4.35Å; E876-L896 PolarHBondContact O-N 2.75Å; L894-L896 HydrophobicContact CD2-CB 4.41Å; L894-L896 HydrophobicContact CG-CB 4.28Å; L894-L896 PolarHBondContact O-N 2.87Å; L896-Y899 HydrophobicContact CD1-CD2 4.39Å; L896-Y899 HydrophobicContact CD1-CE2 4.04Å; L896-L905 HydrophobicContact CD1-CD1 4.16Å; L896-L905 HydrophobicContact CD1-CG 4.36Å; L896-L905 HydrophobicContact CD2-CD1 4.26Å | ||
| 897 | P | 97.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | trans | -62.5 | 155.3 | -178.8 | -26.1 | 35.7 | 0 | 0 | 0 | 114.9 | Y821 V878 K880 W883 Y899 | Y821-P897 PolarHBondContact OH-O 2.72Å; V878-P897 WeakPolarHBondContact O-CA 3.43Å; K880-P897 WeakPolarHBondContact O-CB 3.43Å; W883-P897 HydrophobicContact CB-CG 4.12Å; P897-Y899 HydrophobicContact CB-CD1 4.43Å; P897-Y899 HydrophobicContact CB-CE1 3.88Å; P897-Y899 HydrophobicContact CB-CE2 4.14Å; P897-Y899 HydrophobicContact CG-CE1 4.37Å; P897-Y899 HydrophobicContact CG-CE2 4.35Å; P897-Y899 WeakPolarHBondContact CG-OH 3.3Å; P897-Y899 WeakPolarHBondContact O-CD2 3.44Å; P897-Y899 PolarHBondContact O-N 3.41Å | ||
| 898 | P | 97.4 | Very high | 93.7 | Very high | 23 Ų | 23 | 38.4 Ų | 38.4 | 15% | 0.149 | 18% | 0.183 | C | C | . | . | trans | -80.8 | 59.6 | -174.2 | 34.1 | -37.1 | 0 | 0 | 0 | 112.9 | Y821 | Y821-P898 WeakPolarHBondContact OH-CA 3.16Š| ||
| 899 | Y | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -51.9 | 153.9 | 179.5 | -60.5 | -55.1 | 0 | 0 | 0 | 113.5 | Q827 D881 W883 P885 L896 P897 Q904 L905 K908 | Q827-Y899 PolarHBondContact NE2-O 2.92Å; D881-Y899 HydrophobicContact CB-CD1 4.21Å; D881-Y899 WeakPolarHBondContact O-CD1 3.29Å; D881-Y899 WeakPolarHBondContact O-CE1 3.38Å; W883-Y899 WeakPolarHBondContact O-CE1 3.28Å; W883-Y899 PolarHBondContact O-OH 2.8Å; P885-Y899 WeakPolarHBondContact CD-OH 3.46Å; P885-Y899 HydrophobicContact CG-CE2 4.32Å; P885-Y899 WeakPolarHBondContact CG-OH 3.24Å; L896-Y899 HydrophobicContact CD1-CD2 4.39Å; L896-Y899 HydrophobicContact CD1-CE2 4.04Å; P897-Y899 HydrophobicContact CB-CD1 4.43Å; P897-Y899 HydrophobicContact CB-CE1 3.88Å; P897-Y899 HydrophobicContact CB-CE2 4.14Å; P897-Y899 HydrophobicContact CG-CE1 4.37Å; P897-Y899 HydrophobicContact CG-CE2 4.35Å; P897-Y899 WeakPolarHBondContact CG-OH 3.3Å; P897-Y899 WeakPolarHBondContact O-CD2 3.44Å; P897-Y899 PolarHBondContact O-N 3.41Å; Y899-Q904 HydrophobicContact CD1-CG 3.79Å; Y899-Q904 HydrophobicContact CG-CG 4.26Å; Y899-L905 HydrophobicContact CD2-CB 3.74Å; Y899-L905 HydrophobicContact CD2-CD1 4.19Å; Y899-L905 HydrophobicContact CD2-CG 3.93Å; Y899-L905 HydrophobicContact CE2-CG 4.48Å; Y899-L905 HydrophobicContact CG-CB 4.31Å; Y899-K908 HydrophobicContact CE1-CB 4.1Å; Y899-K908 HydrophobicContact CE1-CG 3.92Å; Y899-K908 HydrophobicContact CE2-CB 4.22Å; Y899-K908 WeakPolarHBondContact OH-CB 3.41Å | ||
| 900 | K | 97.1 | Very high | 94.5 | Very high | 139 Ų | 139 | 38.5 Ų | 38.5 | 60% | 0.604 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -90.9 | -23.7 | -174 | -52.5 | -53 | -169.9 | -136.2 | 0 | 113.9 | W830 D881 | W830-K900 VanDerWaalsContact CH2-O 3.31Å; W830-K900 WeakPolarHBondContact CH2-O 3.34Å; D881-K900 WeakPolarHBondContact OD1-CE 3.4Å; D881-K900 IonicContact OD1-NZ 2.75Å; D881-K900 PolarHBondContact OD1-NZ 2.8Å; D881-K900 WeakPolarHBondContact OD2-CE 3.19Å; D881-K900 IonicContact OD2-NZ 3.31Å; D881-K900 PolarHBondContact OD2-NZ 2.97Å |
| 901 | S | 97.9 | Very high | 95 | Very high | 51 Ų | 51 | 42.9 Ų | 42.9 | 36% | 0.357 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -140.1 | 166.1 | -177.8 | 68.6 | 0 | 0 | 0 | 0 | 112.3 | Q904 L905 | S901-Q904 WeakPolarHBondContact OG-CB 3.46Å; S901-Q904 PolarHBondContact OG-N 2.73Å; S901-L905 PolarHBondContact O-N 3.47Å |
| 902 | Y | 97.9 | Very high | 95.1 | Very high | 22 Ų | 22 | 40.2 Ų | 40.2 | 9% | 0.086 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.6 | -49.6 | 172.8 | 177.7 | -125.3 | 0 | 0 | 0 | 111.7 | W830 Q833 F834 E837 Q904 L905 K906 | W830-Y902 HydrophobicContact CB-CD2 3.83Å; W830-Y902 AromaticContact CD1-CD2 3.95Å; W830-Y902 AromaticContact CG-CD2 3.99Å; W830-Y902 HydrophobicContact CG-CD2 3.99Å; W830-Y902 WeakPolarHBondContact O-CE2 3.27Å; Q833-Y902 HydrophobicContact CB-CE2 4.06Å; Q833-Y902 HydrophobicContact CG-CE1 4.43Å; Q833-Y902 HydrophobicContact CG-CE2 3.92Å; F834-Y902 WeakPolarHBondContact CA-OH 3.38Å; F834-Y902 HydrophobicContact CB-CE2 4.05Å; F834-Y902 PolarHBondContact N-OH 3.29Å; E837-Y902 PolarHBondContact OE1-OH 3.12Å; E837-Y902 WeakPolarHBondContact OE2-CE1 3.31Å; E837-Y902 PolarHBondContact OE2-OH 2.73Å; Y902-Q904 VanDerWaalsContact C-N 3.33Å; Y902-Q904 PolarHBondContact O-N 3.31Å; Y902-L905 WeakPolarHBondContact O-CB 3.43Å; Y902-L905 PolarHBondContact O-N 2.92Å; Y902-L905 VanDerWaalsContact O-N 3.08Å; Y902-K906 HydrophobicContact CE1-CD 3.98Å; Y902-K906 WeakPolarHBondContact O-CB 3.47Å; Y902-K906 PolarHBondContact O-N 3.19Å |
| 903 | E | 96.9 | Very high | 95 | Very high | 116 Ų | 116 | 40.1 Ų | 40.1 | 54% | 0.542 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.2 | -38.8 | -178.4 | -53.3 | -49.4 | 142.6 | 0 | 0 | 112.5 | L905 K906 E907 | E903-L905 VanDerWaalsContact C-N 3.34Å; E903-L905 PolarHBondContact O-N 2.89Å; E903-K906 PolarHBondContact O-N 2.87Å; E903-E907 VanDerWaalsContact O-CB 3.3Å; E903-E907 WeakPolarHBondContact O-CB 3.39Å; E903-E907 PolarHBondContact O-N 3.46Å |
| 904 | Q | 96.5 | Very high | 94.3 | Very high | 42 Ų | 42 | 40.4 Ų | 40.4 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.9 | -40.3 | 175.5 | -173.3 | -174.1 | 31.3 | 0 | 0 | 111.7 | D881 Y899 S901 Y902 K908 | D881-Q904 PolarHBondContact O-NE2 2.75Å; Y899-Q904 HydrophobicContact CD1-CG 3.79Å; Y899-Q904 HydrophobicContact CG-CG 4.26Å; S901-Q904 WeakPolarHBondContact OG-CB 3.46Å; S901-Q904 PolarHBondContact OG-N 2.73Å; Y902-Q904 VanDerWaalsContact C-N 3.33Å; Y902-Q904 PolarHBondContact O-N 3.31Å; Q904-K908 HydrophobicContact CG-CG 4.48Å; Q904-K908 VanDerWaalsContact O-CB 3.27Å; Q904-K908 WeakPolarHBondContact O-CB 3.31Å; Q904-K908 WeakPolarHBondContact O-CG 3.19Å; Q904-K908 PolarHBondContact O-N 3.35Å; Q904-K908 VanDerWaalsContact O-N 3.1Å |
| 905 | L | 97.6 | Very high | 93 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.1 | -43.8 | 175.1 | -178.2 | 152.4 | 0 | 0 | 0 | 110.9 | Q827 W830 L896 Y899 S901 Y902 E903 L909 | Q827-L905 HydrophobicContact CB-CD1 4.24Å; Q827-L905 WeakPolarHBondContact O-CD1 3.32Å; W830-L905 HydrophobicContact CB-CD1 3.92Å; L896-L905 HydrophobicContact CD1-CD1 4.16Å; L896-L905 HydrophobicContact CD1-CG 4.36Å; L896-L905 HydrophobicContact CD2-CD1 4.26Å; Y899-L905 HydrophobicContact CD2-CB 3.74Å; Y899-L905 HydrophobicContact CD2-CD1 4.19Å; Y899-L905 HydrophobicContact CD2-CG 3.93Å; Y899-L905 HydrophobicContact CE2-CG 4.48Å; Y899-L905 HydrophobicContact CG-CB 4.31Å; S901-L905 PolarHBondContact O-N 3.47Å; Y902-L905 WeakPolarHBondContact O-CB 3.43Å; Y902-L905 PolarHBondContact O-N 2.92Å; Y902-L905 VanDerWaalsContact O-N 3.08Å; E903-L905 VanDerWaalsContact C-N 3.34Å; E903-L905 PolarHBondContact O-N 2.89Å; L905-L909 HydrophobicContact CD2-CD2 4.26Å; L905-L909 WeakPolarHBondContact O-CB 3.31Å; L905-L909 PolarHBondContact O-N 2.93Å |
| 906 | K | 96.1 | Very high | 91.1 | Very high | 59 Ų | 59 | 44.9 Ų | 44.9 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.5 | -50.6 | 179.9 | -179 | 168.1 | -177.9 | 171.8 | 0 | 111.9 | F834 E837 Y902 E903 L910 | F834-K906 HydrophobicContact CD2-CB 4.38Å; F834-K906 HydrophobicContact CD2-CG 3.93Å; F834-K906 HydrophobicContact CE2-CG 4.2Å; E837-K906 IonicContact OE2-NZ 2.81Å; E837-K906 PolarHBondContact OE2-NZ 2.96Å; E837-K906 VanDerWaalsContact OE2-NZ 3.08Å; Y902-K906 HydrophobicContact CE1-CD 3.98Å; Y902-K906 WeakPolarHBondContact O-CB 3.47Å; Y902-K906 PolarHBondContact O-N 3.19Å; E903-K906 PolarHBondContact O-N 2.87Å; K906-L910 HydrophobicContact CG-CD1 3.99Å; K906-L910 VanDerWaalsContact O-CB 3.3Å; K906-L910 WeakPolarHBondContact O-CB 3.28Å; K906-L910 WeakPolarHBondContact O-CD1 3.1Å; K906-L910 VanDerWaalsContact O-CG 3.23Å; K906-L910 WeakPolarHBondContact O-CG 3.37Å; K906-L910 PolarHBondContact O-N 3.48Å |
| 907 | E | 92.6 | Very high | 88.6 | Confident | 118 Ų | 118 | 48.1 Ų | 48.1 | 55% | 0.551 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -55.9 | -55.2 | 174.7 | -177.9 | -153.7 | 123.4 | 0 | 0 | 111.3 | E903 L909 L910 F911 | E903-E907 VanDerWaalsContact O-CB 3.3Å; E903-E907 WeakPolarHBondContact O-CB 3.39Å; E903-E907 PolarHBondContact O-N 3.46Å; E907-L909 VanDerWaalsContact C-N 3.33Å; E907-L909 PolarHBondContact O-N 2.7Å; E907-L910 PolarHBondContact O-N 3.29Å; E907-F911 WeakPolarHBondContact O-CB 3.25Å; E907-F911 PolarHBondContact O-N 3.28Å |
| 908 | K | 93.9 | Very high | 85.7 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 24% | 0.235 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.4 | -30.8 | -175.2 | -65.9 | -73.3 | 169.1 | -172.2 | 0 | 113 | L884 P885 Y899 Q904 A912 | L884-K908 HydrophobicContact CD2-CB 4.34Å; L884-K908 HydrophobicContact CD2-CD 3.69Å; P885-K908 VanDerWaalsContact CD-O 3.26Å; P885-K908 WeakPolarHBondContact CD-O 3.08Å; Y899-K908 HydrophobicContact CE1-CB 4.1Å; Y899-K908 HydrophobicContact CE1-CG 3.92Å; Y899-K908 HydrophobicContact CE2-CB 4.22Å; Y899-K908 WeakPolarHBondContact OH-CB 3.41Å; Q904-K908 HydrophobicContact CG-CG 4.48Å; Q904-K908 VanDerWaalsContact O-CB 3.27Å; Q904-K908 WeakPolarHBondContact O-CB 3.31Å; Q904-K908 WeakPolarHBondContact O-CG 3.19Å; Q904-K908 PolarHBondContact O-N 3.35Å; Q904-K908 VanDerWaalsContact O-N 3.1Å; K908-A912 WeakPolarHBondContact O-CB 3.14Å; K908-A912 PolarHBondContact O-N 2.82Å |
| 909 | L | 93.8 | Very high | 83 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -78.3 | -42.3 | 176.9 | -171.3 | 59.5 | 0 | 0 | 0 | 112.1 | F831 F834 L846 P885 L894 L905 E907 F911 A912 I913 | F831-L909 HydrophobicContact CD2-CD2 3.95Å; F831-L909 HydrophobicContact CE2-CD2 4.11Å; F834-L909 HydrophobicContact CD1-CD2 3.59Å; F834-L909 HydrophobicContact CE1-CD2 3.62Å; F834-L909 HydrophobicContact CE1-CG 4.1Å; F834-L909 HydrophobicContact CG-CD2 4.38Å; F834-L909 HydrophobicContact CZ-CD2 4.43Å; L846-L909 HydrophobicContact CD1-CD1 3.97Å; L846-L909 HydrophobicContact CD1-CD2 4.45Å; L846-L909 HydrophobicContact CD1-CG 4.4Å; P885-L909 HydrophobicContact CB-CD1 4.19Å; P885-L909 HydrophobicContact CG-CB 4.45Å; P885-L909 HydrophobicContact CG-CD1 4.04Å; L894-L909 HydrophobicContact CD1-CD1 4.42Å; L905-L909 HydrophobicContact CD2-CD2 4.26Å; L905-L909 WeakPolarHBondContact O-CB 3.31Å; L905-L909 PolarHBondContact O-N 2.93Å; E907-L909 VanDerWaalsContact C-N 3.33Å; E907-L909 PolarHBondContact O-N 2.7Å; L909-F911 VanDerWaalsContact C-N 3.34Å; L909-F911 PolarHBondContact O-N 2.94Å; L909-A912 PolarHBondContact O-N 2.92Å; L909-I913 HydrophobicContact CD1-CG2 4.36Å; L909-I913 WeakPolarHBondContact O-CG1 3.3Å; L909-I913 WeakPolarHBondContact O-CG2 3.43Å; L909-I913 PolarHBondContact O-N 2.91Å; L909-I913 VanDerWaalsContact O-N 3.09Å |
| 910 | L | 91.4 | Very high | 79.9 | Confident | 61 Ų | 61 | 58.3 Ų | 58.3 | 32% | 0.319 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58 | -47.1 | 171.6 | -75.3 | 168.1 | 0 | 0 | 0 | 111 | F834 V842 K906 E907 A912 I913 E914 | F834-L910 HydrophobicContact CE2-CD1 4.29Å; F834-L910 HydrophobicContact CE2-CD2 3.8Å; F834-L910 HydrophobicContact CE2-CG 3.76Å; F834-L910 HydrophobicContact CZ-CD2 3.8Å; F834-L910 HydrophobicContact CZ-CG 4.04Å; V842-L910 HydrophobicContact CG1-CD2 4.04Å; K906-L910 HydrophobicContact CG-CD1 3.99Å; K906-L910 VanDerWaalsContact O-CB 3.3Å; K906-L910 WeakPolarHBondContact O-CB 3.28Å; K906-L910 WeakPolarHBondContact O-CD1 3.1Å; K906-L910 VanDerWaalsContact O-CG 3.23Å; K906-L910 WeakPolarHBondContact O-CG 3.37Å; K906-L910 PolarHBondContact O-N 3.48Å; E907-L910 PolarHBondContact O-N 3.29Å; L910-A912 VanDerWaalsContact C-N 3.32Å; L910-A912 PolarHBondContact O-N 2.82Å; L910-I913 HydrophobicContact CD2-CD1 4.35Å; L910-I913 WeakPolarHBondContact O-CG1 3.33Å; L910-I913 PolarHBondContact O-N 2.99Å; L910-E914 WeakPolarHBondContact O-CB 3.45Å; L910-E914 WeakPolarHBondContact O-CG 3.37Å; L910-E914 PolarHBondContact O-N 2.83Å |
| 911 | F | 88.9 | Confident | 76.6 | Confident | 101 Ų | 101 | 58.9 Ų | 58.9 | 44% | 0.443 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.6 | -41.8 | 178.5 | -172.3 | -91.5 | 0 | 0 | 0 | 112.7 | L884 E907 L909 E915 F919 | L884-F911 HydrophobicContact CD1-CD1 3.89Å; L884-F911 HydrophobicContact CD1-CE1 3.84Å; L884-F911 HydrophobicContact CD2-CB 4.45Å; L884-F911 HydrophobicContact CD2-CD1 3.63Å; L884-F911 HydrophobicContact CD2-CE1 4.34Å; L884-F911 HydrophobicContact CD2-CG 4.4Å; L884-F911 HydrophobicContact CG-CD1 4.44Å; E907-F911 WeakPolarHBondContact O-CB 3.25Å; E907-F911 PolarHBondContact O-N 3.28Å; L909-F911 VanDerWaalsContact C-N 3.34Å; L909-F911 PolarHBondContact O-N 2.94Å; F911-E915 HydrophobicContact CE1-CB 4.37Å; F911-E915 HydrophobicContact CE1-CG 4.46Å; F911-E915 HydrophobicContact CE2-CG 4.14Å; F911-E915 HydrophobicContact CZ-CB 4.47Å; F911-E915 HydrophobicContact CZ-CG 4.11Å; F911-E915 WeakPolarHBondContact O-CB 3.42Å; F911-E915 PolarHBondContact O-N 3.29Å; F911-F919 HydrophobicContact CE1-CE1 4.11Å; F911-F919 AromaticContact CE1-CZ 3.7Å; F911-F919 HydrophobicContact CE1-CZ 3.7Å; F911-F919 HydrophobicContact CZ-CZ 4.42Å |
| 912 | A | 88.1 | Confident | 73.3 | Confident | 5 Ų | 5 | 69.1 Ų | 69.1 | 4% | 0.041 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -80 | -24.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | F849 P885 K908 L909 L910 | F849-A912 VanDerWaalsContact CD2-O 3.23Å; F849-A912 WeakPolarHBondContact CD2-O 3.13Å; F849-A912 HydrophobicContact CE2-CB 4.3Å; F849-A912 WeakPolarHBondContact CE2-O 3.34Å; F849-A912 HydrophobicContact CZ-CB 4.02Å; P885-A912 HydrophobicContact CG-CB 4.38Å; K908-A912 WeakPolarHBondContact O-CB 3.14Å; K908-A912 PolarHBondContact O-N 2.82Å; L909-A912 PolarHBondContact O-N 2.92Å; L910-A912 VanDerWaalsContact C-N 3.32Å; L910-A912 PolarHBondContact O-N 2.82Å |
| 913 | I | 88.2 | Confident | 72 | Confident | 2 Ų | 2 | 71.5 Ų | 71.5 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -80 | -28.7 | 173.2 | 65.2 | -177.9 | 0 | 0 | 0 | 112.1 | K795 V842 R845 L846 F849 L909 L910 | K795-I913 PolarHBondContact NZ-O 2.76Å; V842-I913 HydrophobicContact CG1-CD1 3.62Å; R845-I913 HydrophobicContact CB-CD1 4.5Å; L846-I913 HydrophobicContact CB-CG2 4.25Å; L846-I913 HydrophobicContact CD1-CG2 3.8Å; F849-I913 HydrophobicContact CB-CB 4.36Å; F849-I913 HydrophobicContact CB-CG2 3.86Å; F849-I913 HydrophobicContact CD1-CG2 4.03Å; F849-I913 HydrophobicContact CG-CG2 3.92Å; L909-I913 HydrophobicContact CD1-CG2 4.36Å; L909-I913 WeakPolarHBondContact O-CG1 3.3Å; L909-I913 WeakPolarHBondContact O-CG2 3.43Å; L909-I913 PolarHBondContact O-N 2.91Å; L909-I913 VanDerWaalsContact O-N 3.09Å; L910-I913 HydrophobicContact CD2-CD1 4.35Å; L910-I913 WeakPolarHBondContact O-CG1 3.33Å; L910-I913 PolarHBondContact O-N 2.99Å |
| 914 | E | 79.6 | Confident | 70.7 | Confident | 48 Ų | 48 | 69.1 Ų | 69.1 | 22% | 0.224 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -78.7 | -67.6 | 175.2 | -79.8 | -61.5 | 120 | 0 | 0 | 111.5 | R545 L910 T916 | R545-E914 WeakPolarHBondContact CB-OE2 3.36Å; R545-E914 WeakPolarHBondContact CD-OE2 3.12Å; R545-E914 VanDerWaalsContact CG-OE2 3.31Å; R545-E914 WeakPolarHBondContact CG-OE2 3.34Å; R545-E914 IonicContact CZ-OE2 3.86Å; R545-E914 IonicContact NE-OE2 3.22Å; R545-E914 IonicContact NH1-OE2 3.08Å; R545-E914 PolarHBondContact NH1-OE2 3.26Å; L910-E914 WeakPolarHBondContact O-CB 3.45Å; L910-E914 WeakPolarHBondContact O-CG 3.37Å; L910-E914 PolarHBondContact O-N 2.83Å; E914-T916 PolarHBondContact O-N 3.18Å; E914-T916 PolarHBondContact O-OG1 2.77Å; E914-T916 VanDerWaalsContact O-OG1 3.1Å |
| 915 | E | 69.4 | Low | 69.3 | Low | 49 Ų | 49 | 70.6 Ų | 70.6 | 23% | 0.229 | 38% | 0.375 | C | S | . | . | trans | -74.3 | 102.4 | 177.6 | -59.8 | -45.2 | 131.5 | 0 | 0 | 109.7 | R545 F911 F919 | R545-E915 IonicContact CZ-OE1 2.75Å; R545-E915 VanDerWaalsContact CZ-OE1 3.27Å; R545-E915 IonicContact CZ-OE2 3.5Å; R545-E915 IonicContact NH1-OE1 3.41Å; R545-E915 PolarHBondContact NH1-OE1 3.04Å; R545-E915 IonicContact NH1-OE2 2.72Å; R545-E915 IonicContact NH2-OE1 3.91Å; R545-E915 PolarHBondContact NH2-OE1 3.44Å; R545-E915 IonicContact NH2-OE2 3.37Å; R545-E915 PolarHBondContact NH2-OE2 3.25Å; F911-E915 HydrophobicContact CE1-CB 4.37Å; F911-E915 HydrophobicContact CE1-CG 4.46Å; F911-E915 HydrophobicContact CE2-CG 4.14Å; F911-E915 HydrophobicContact CZ-CB 4.47Å; F911-E915 HydrophobicContact CZ-CG 4.11Å; F911-E915 WeakPolarHBondContact O-CB 3.42Å; F911-E915 PolarHBondContact O-N 3.29Å; E915-F919 HydrophobicContact CB-CE2 3.77Å; E915-F919 HydrophobicContact CB-CZ 3.98Å; E915-F919 WeakPolarHBondContact O-CE2 3.27Å | ||
| 916 | T | 56.3 | Low | 67.6 | Low | 50 Ų | 50 | 74.8 Ų | 74.8 | 31% | 0.307 | 40% | 0.397 | S | S | . | . | trans | -108.2 | -13.2 | -179.3 | -33.2 | 0 | 0 | 0 | 0 | 112.2 | K795 E914 | K795-T916 PolarHBondContact NZ-OG1 3.19Å; E914-T916 PolarHBondContact O-N 3.18Å; E914-T916 PolarHBondContact O-OG1 2.77Å; E914-T916 VanDerWaalsContact O-OG1 3.1Å | ||
| 917 | E | 44.5 | Very low | 65.8 | Low | 68 Ų | 68 | 75.8 Ų | 75.8 | 32% | 0.318 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -92.3 | 131.6 | -179.9 | -64 | 173.9 | 152.3 | 0 | 0 | 109.8 | R520 K689 | R520-E917 IonicContact CZ-OE2 2.68Å; R520-E917 VanDerWaalsContact CZ-OE2 3.25Å; R520-E917 IonicContact NH1-OE2 3.48Å; R520-E917 PolarHBondContact NH1-OE2 2.95Å; R520-E917 IonicContact NH2-OE1 3.2Å; R520-E917 IonicContact NH2-OE2 2.77Å; R520-E917 PolarHBondContact NH2-OE2 3.4Å; K689-E917 WeakPolarHBondContact CE-OE1 3.35Å; K689-E917 IonicContact NZ-OE1 3.37Å; K689-E917 PolarHBondContact NZ-OE1 3.2Å |
| 918 | G | 38.1 | Very low | 64 | Low | 78 Ų | 78 | 72.9 Ų | 72.9 | 80% | 0.804 | 40% | 0.396 | S | S | * | . | trans | 102.8 | -10.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | G920 | G918-G920 VanDerWaalsContact C-N 3.27Å; G918-G920 PolarHBondContact O-N 3.3Å | ||
| 919 | F | 40.8 | Very low | 61.9 | Low | 100 Ų | 100 | 74.3 Ų | 74.3 | 44% | 0.439 | 41% | 0.408 | S | S | . | . | trans | -77.1 | 67.9 | -175.5 | -60.2 | -78.7 | 0 | 0 | 0 | 114.8 | L884 F911 E915 | L884-F919 HydrophobicContact CD1-CD1 4.01Å; L884-F919 HydrophobicContact CD1-CE1 3.54Å; L884-F919 HydrophobicContact CD1-CZ 4.23Å; F911-F919 HydrophobicContact CE1-CE1 4.11Å; F911-F919 AromaticContact CE1-CZ 3.7Å; F911-F919 HydrophobicContact CE1-CZ 3.7Å; F911-F919 HydrophobicContact CZ-CZ 4.42Å; E915-F919 HydrophobicContact CB-CE2 3.77Å; E915-F919 HydrophobicContact CB-CZ 3.98Å; E915-F919 WeakPolarHBondContact O-CE2 3.27Å | ||
| 920 | G | 31.6 | Very low | 59.5 | Low | 61 Ų | 61 | 80 Ų | 80 | 63% | 0.629 | 44% | 0.439 | S | S | * | . | trans | -67 | 168.9 | 141 | 0 | 0 | 0 | 0 | 0 | 110.5 | G918 | G918-G920 VanDerWaalsContact C-N 3.27Å; G918-G920 PolarHBondContact O-N 3.3Å | ||
| 921 | Q | 27.5 | Very low | 56.8 | Low | 151 Ų | 151 | 81.6 Ų | 81.6 | 71% | 0.706 | 45% | 0.449 | S | S | * | . | trans | -89.4 | 129.9 | 172.5 | -75.2 | 174.4 | -130.1 | 0 | 0 | 109.9 | ||||
| 922 | E | 28.6 | Very low | 53.9 | Low | 266 Ų | 266 | 79.8 Ų | 79.8 | 100% | 1.243 | 45% | 0.45 | S | S | * | . | trans | -77.1 | 0 | 136 | -63.4 | -177.2 | 158.3 | 0 | 0 | 109 |
Retrieved 922 of 922 residues in 636.5 ms
(Link to these results)