| 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 | 31.1 | Very low | 38.3 | Very low | 241 Ų | 241 | 149.1 Ų | 149.1 | 100% | 1.187 | 82% | 0.819 | S | S | * | * | 0 | 146.9 | 0 | -77.1 | 166.7 | 163.9 | 0 | 0 | 107.9 | |||||
| 2 | N | 31.5 | Very low | 39.4 | Very low | 154 Ų | 154 | 150.3 Ų | 150.3 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | trans | 8.8 | 121.7 | 167.3 | -55.5 | 7.8 | 0 | 0 | 0 | 118 | ||||
| 3 | S | 33.4 | Very low | 40.8 | Very low | 110 Ų | 110 | 143 Ų | 143 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | 76.4 | 135.3 | 81.4 | -148.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 4 | T | 35.1 | Very low | 42.5 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | cis | -145.3 | 161.4 | 32.4 | 48 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 5 | D | 42.7 | Very low | 44.2 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | 40.1 | 137.9 | 152.2 | -105.8 | -56.1 | 0 | 0 | 0 | 122.3 | ||||
| 6 | P | 39.1 | Very low | 45.5 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 84% | 0.838 | 71% | 0.714 | S | S | * | * | -144.8 | 130 | 115.3 | 35.1 | -20.2 | 0 | 0 | 0 | 114.7 | |||||
| 7 | H | 44.7 | Very low | 46.8 | Very low | 180 Ų | 180 | 127.2 Ų | 127.2 | 83% | 0.833 | 69% | 0.691 | S | S | * | * | trans | -128.5 | 67.2 | 177.7 | -142 | -47.7 | 0 | 0 | 0 | 113.8 | ||||
| 8 | N | 39.5 | Very low | 47.8 | Very low | 147 Ų | 147 | 123.7 Ų | 123.7 | 79% | 0.786 | 69% | 0.689 | S | S | * | * | trans | -159.5 | 116.8 | 154 | -137.4 | -7.8 | 0 | 0 | 0 | 111.5 | ||||
| 9 | Q | 38.2 | Very low | 49 | Very low | 190 Ų | 190 | 117.9 Ų | 117.9 | 89% | 0.888 | 66% | 0.661 | S | S | * | * | trans | -130 | 102.7 | 167 | -85.7 | -171.9 | -32.9 | 0 | 0 | 109.1 | ||||
| 10 | T | 41.2 | Very low | 50.2 | Low | 119 Ų | 119 | 116.8 Ų | 116.8 | 73% | 0.73 | 66% | 0.656 | S | S | * | * | trans | -62.9 | 130 | 163.2 | 43.5 | 0 | 0 | 0 | 0 | 109.2 | E12 | T10-E12 PolarHBondContact O-N 3.02Å; T10-E12 VanDerWaalsContact O-N 3.09Å | ||
| 11 | V | 44.5 | Very low | 51.2 | Low | 117 Ų | 117 | 113.4 Ų | 113.4 | 71% | 0.709 | 64% | 0.64 | S | S | * | * | trans | -70.6 | 104.5 | 174.6 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | C13 | V11-C13 PolarHBondContact O-N 3.46Š| ||
| 12 | E | 51.7 | Low | 52.8 | Low | 163 Ų | 163 | 105.3 Ų | 105.3 | 76% | 0.762 | 60% | 0.604 | S | S | * | * | trans | -70.9 | 120.6 | 172.9 | -75.3 | -169.6 | 131.6 | 0 | 0 | 110.6 | T10 L14 | T10-E12 PolarHBondContact O-N 3.02Å; T10-E12 VanDerWaalsContact O-N 3.09Å; E12-L14 PolarHBondContact O-N 2.8Å | ||
| 13 | C | 57.7 | Low | 54.1 | Low | 56 Ų | 56 | 100.5 Ų | 100.5 | 38% | 0.378 | 59% | 0.591 | S | S | . | * | trans | -78.2 | 106.7 | 172.2 | -68.4 | 0 | 0 | 0 | 0 | 110.7 | V11 C15 C21 | V11-C13 PolarHBondContact O-N 3.46Å; C13-C15 PolarHBondContact O-N 3.27Å; C13-C21 HydrophobicContact CB-CB 3.36Å; C13-C21 WeakPolarHBondContact CB-SG 3.45Å; C13-C21 WeakPolarHBondContact SG-CB 3.37Å; C13-C21 CovalentContact SG-SG 2.03Å; C13-C21 PolarHBondContact SG-SG 2.62Å | ||
| 14 | L | 64.4 | Low | 55.1 | Low | 123 Ų | 123 | 103.2 Ų | 103.2 | 64% | 0.644 | 60% | 0.595 | S | S | * | * | trans | -76.5 | 42.7 | 180 | -70.2 | 162.7 | 0 | 0 | 0 | 113.5 | E12 Q16 | E12-L14 PolarHBondContact O-N 2.8Å; L14-Q16 PolarHBondContact O-N 3.02Å | ||
| 15 | C | 67.6 | Low | 56.1 | Low | 32 Ų | 32 | 105 Ų | 105 | 22% | 0.216 | 60% | 0.6 | C | S | . | * | trans | -72.3 | 123.6 | 178.3 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | C13 G19 C28 | C13-C15 PolarHBondContact O-N 3.27Å; C15-G19 VanDerWaalsContact CB-O 3.29Å; C15-G19 WeakPolarHBondContact CB-O 3.38Å; C15-C28 WeakPolarHBondContact CA-SG 3.44Å; C15-C28 HydrophobicContact CB-CB 3.89Å; C15-C28 WeakPolarHBondContact CB-SG 3.26Å; C15-C28 WeakPolarHBondContact SG-CB 3.31Å; C15-C28 CovalentContact SG-SG 2.04Å; C15-C28 PolarHBondContact SG-SG 3.34Å | ||
| 16 | Q | 66.3 | Low | 56.9 | Low | 89 Ų | 89 | 99.4 Ų | 99.4 | 42% | 0.416 | 57% | 0.574 | S | S | . | * | trans | -95.6 | 172.9 | 178.6 | -56.6 | -174.9 | -2.7 | 0 | 0 | 111 | L14 G18 G19 Y38 C39 Q40 | L14-Q16 PolarHBondContact O-N 3.02Å; Q16-G18 PolarHBondContact O-N 3.37Å; Q16-G19 PolarHBondContact O-N 3.03Å; Q16-Y38 WeakPolarHBondContact CB-O 3.42Å; Q16-Y38 PolarHBondContact N-O 3.39Å; Q16-C39 WeakPolarHBondContact O-CB 3.45Å; Q16-Q40 VanDerWaalsContact OE1-CB 3.27Å | ||
| 17 | N | 66.3 | Low | 57.8 | Low | 60 Ų | 60 | 97.2 Ų | 97.2 | 32% | 0.321 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 50.4 | 31.4 | 169.3 | -60 | -39.6 | 0 | 0 | 0 | 115.8 | P31 Y34 C39 T73 | N17-P31 WeakPolarHBondContact O-CG 3.37Å; N17-Y34 HydrophobicContact CB-CD1 3.58Å; N17-Y34 HydrophobicContact CB-CE1 3.74Å; N17-Y34 HydrophobicContact CB-CG 4.07Å; N17-C39 PolarHBondContact ND2-O 2.82Å; N17-T73 PolarHBondContact ND2-OG1 2.97Å |
| 18 | G | 66.4 | Low | 59.2 | Low | 64 Ų | 64 | 89.7 Ų | 89.7 | 66% | 0.66 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 15.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q16 | Q16-G18 PolarHBondContact O-N 3.37Š|
| 19 | G | 70.6 | Confident | 60.8 | Low | 14 Ų | 14 | 89 Ų | 89 | 14% | 0.144 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 141.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | C15 Q16 E29 | C15-G19 VanDerWaalsContact CB-O 3.29Å; C15-G19 WeakPolarHBondContact CB-O 3.38Å; Q16-G19 PolarHBondContact O-N 3.03Å; G19-E29 CarbonylContact C-O 3.57Å; G19-E29 WeakPolarHBondContact CA-O 3.49Å |
| 20 | V | 72.5 | Confident | 62.7 | Low | 95 Ų | 95 | 81.9 Ų | 81.9 | 58% | 0.576 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 135.1 | 178.8 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | C28 E29 | V20-C28 CarbonylContact O-C 3.43Å; V20-C28 WeakPolarHBondContact O-CA 3.37Å; V20-E29 PolarHBondContact N-O 3.2Å; V20-E29 PolarHBondContact O-N 3.44Å |
| 21 | C | 70.4 | Confident | 64.2 | Low | 45 Ų | 45 | 78.3 Ų | 78.3 | 30% | 0.304 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 128.5 | -179.2 | -157.1 | 0 | 0 | 0 | 0 | 112.1 | C13 | C13-C21 HydrophobicContact CB-CB 3.36Å; C13-C21 WeakPolarHBondContact CB-SG 3.45Å; C13-C21 WeakPolarHBondContact SG-CB 3.37Å; C13-C21 CovalentContact SG-SG 2.03Å; C13-C21 PolarHBondContact SG-SG 2.62Å |
| 22 | V | 65.7 | Low | 65.2 | Low | 72 Ų | 72 | 78.4 Ų | 78.4 | 44% | 0.436 | 47% | 0.471 | S | S | . | . | trans | -124.9 | 100.4 | -175.9 | -172.2 | 0 | 0 | 0 | 0 | 109.9 | T27 E29 | V22-T27 PolarHBondContact N-O 3.22Å; V22-T27 PolarHBondContact O-OG1 2.79Å; V22-E29 HydrophobicContact CG2-CB 4.04Å; V22-E29 HydrophobicContact CG2-CG 3.82Å | ||
| 23 | G | 57.5 | Low | 66 | Low | 53 Ų | 53 | 72 Ų | 72 | 55% | 0.546 | 45% | 0.447 | S | S | . | . | S | Bend | trans | 95.1 | 165.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | N25 G26 | G23-N25 PolarHBondContact O-N 3.2Å; G23-N25 VanDerWaalsContact O-N 3.14Å; G23-G26 PolarHBondContact O-N 3.24Å |
| 24 | I | 55.3 | Low | 66.7 | Low | 166 Ų | 166 | 71.8 Ų | 71.8 | 85% | 0.851 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -17.2 | -168.2 | -55 | 167.3 | 0 | 0 | 0 | 112.7 | G26 | I24-G26 VanDerWaalsContact C-N 3.33Å; I24-G26 PolarHBondContact O-N 3.17Å |
| 25 | N | 56.3 | Low | 67 | Low | 156 Ų | 156 | 67.9 Ų | 67.9 | 83% | 0.834 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 7.3 | -179.2 | -70.2 | -3.1 | 0 | 0 | 0 | 114.5 | G23 T27 | G23-N25 PolarHBondContact O-N 3.2Å; G23-N25 VanDerWaalsContact O-N 3.14Å; N25-T27 PolarHBondContact O-N 3.14Å |
| 26 | G | 58.4 | Low | 67.1 | Low | 17 Ų | 17 | 67.5 Ų | 67.5 | 18% | 0.175 | 42% | 0.422 | C | S | . | . | trans | 73.3 | 23.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | G23 I24 | G23-G26 PolarHBondContact O-N 3.24Å; I24-G26 VanDerWaalsContact C-N 3.33Å; I24-G26 PolarHBondContact O-N 3.17Å | ||
| 27 | T | 59.7 | Low | 67.2 | Low | 84 Ų | 84 | 66.6 Ų | 66.6 | 52% | 0.515 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 133.3 | 177.9 | 11.6 | 0 | 0 | 0 | 0 | 112.1 | V22 N25 | V22-T27 PolarHBondContact N-O 3.22Å; V22-T27 PolarHBondContact O-OG1 2.79Å; N25-T27 PolarHBondContact O-N 3.14Å |
| 28 | C | 73.2 | Confident | 67.5 | Low | 21 Ų | 21 | 69.1 Ų | 69.1 | 14% | 0.142 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 129.7 | 178.4 | -54.3 | 0 | 0 | 0 | 0 | 112.2 | C15 V20 | C15-C28 WeakPolarHBondContact CA-SG 3.44Å; C15-C28 HydrophobicContact CB-CB 3.89Å; C15-C28 WeakPolarHBondContact CB-SG 3.26Å; C15-C28 WeakPolarHBondContact SG-CB 3.31Å; C15-C28 CovalentContact SG-SG 2.04Å; C15-C28 PolarHBondContact SG-SG 3.34Å; V20-C28 CarbonylContact O-C 3.43Å; V20-C28 WeakPolarHBondContact O-CA 3.37Å |
| 29 | E | 74 | Confident | 67.8 | Low | 132 Ų | 132 | 66 Ų | 66 | 62% | 0.617 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 125.9 | 158.4 | -92.3 | -168.7 | 134 | 0 | 0 | 109.3 | G19 V20 V22 | G19-E29 CarbonylContact C-O 3.57Å; G19-E29 WeakPolarHBondContact CA-O 3.49Å; V20-E29 PolarHBondContact N-O 3.2Å; V20-E29 PolarHBondContact O-N 3.44Å; V22-E29 HydrophobicContact CG2-CB 4.04Å; V22-E29 HydrophobicContact CG2-CG 3.82Å |
| 30 | C | 76.3 | Confident | 67.8 | Low | 42 Ų | 42 | 67.5 Ų | 67.5 | 28% | 0.284 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -98.5 | 137.8 | -177.6 | -54 | 0 | 0 | 0 | 0 | 112 | Y34 C39 | C30-Y34 WeakPolarHBondContact CB-O 3.38Å; C30-C39 WeakPolarHBondContact CA-SG 3.46Å; C30-C39 HydrophobicContact CB-CB 3.85Å; C30-C39 WeakPolarHBondContact CB-SG 3.26Å; C30-C39 WeakPolarHBondContact SG-CA 3.37Å; C30-C39 WeakPolarHBondContact SG-CB 3.31Å; C30-C39 CovalentContact SG-SG 2.04Å; C30-C39 PolarHBondContact SG-SG 3.39Å |
| 31 | P | 72.7 | Confident | 67.9 | Low | 43 Ų | 43 | 64.6 Ų | 64.6 | 28% | 0.279 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -66 | 160.3 | 173.5 | 27.3 | -33.7 | 0 | 0 | 0 | 111.9 | N17 G33 Y34 | N17-P31 WeakPolarHBondContact O-CG 3.37Å; P31-G33 PolarHBondContact O-N 3.49Å; P31-Y34 HydrophobicContact CG-CD2 4.06Å; P31-Y34 PolarHBondContact O-N 2.77Å; P31-Y34 VanDerWaalsContact O-N 3.13Å |
| 32 | P | 66.9 | Low | 67.9 | Low | 120 Ų | 120 | 62.7 Ų | 62.7 | 78% | 0.779 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 128.3 | -178.5 | -26.3 | 35 | 0 | 0 | 0 | 112.6 | ||
| 33 | G | 67.7 | Low | 68 | Low | 27 Ų | 27 | 60.8 Ų | 60.8 | 28% | 0.278 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | -0.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | P31 I43 | P31-G33 PolarHBondContact O-N 3.49Å; G33-I43 WeakPolarHBondContact O-CB 3.37Å; G33-I43 WeakPolarHBondContact O-CG1 3.32Å; G33-I43 PolarHBondContact O-N 2.92Å |
| 34 | Y | 73.3 | Confident | 68.5 | Low | 53 Ų | 53 | 59.5 Ų | 59.5 | 21% | 0.208 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 153.2 | 176.1 | -62 | -88.2 | 0 | 0 | 0 | 112.3 | N17 C30 P31 L41 | N17-Y34 HydrophobicContact CB-CD1 3.58Å; N17-Y34 HydrophobicContact CB-CE1 3.74Å; N17-Y34 HydrophobicContact CB-CG 4.07Å; C30-Y34 WeakPolarHBondContact CB-O 3.38Å; P31-Y34 HydrophobicContact CG-CD2 4.06Å; P31-Y34 PolarHBondContact O-N 2.77Å; P31-Y34 VanDerWaalsContact O-N 3.13Å; Y34-L41 WeakPolarHBondContact CA-O 3.32Å |
| 35 | T | 70.8 | Confident | 68.9 | Low | 40 Ų | 40 | 59.9 Ų | 59.9 | 25% | 0.245 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 178.2 | -178.6 | -168.4 | 0 | 0 | 0 | 0 | 112.1 | C39 Q40 L41 I43 T70 | T35-C39 CarbonylContact O-C 3.31Å; T35-C39 VanDerWaalsContact O-C 3.3Å; T35-C39 WeakPolarHBondContact O-CA 3.19Å; T35-Q40 PolarHBondContact O-N 2.77Å; T35-L41 HydrophobicContact CG2-CB 3.93Å; T35-L41 PolarHBondContact N-O 2.85Å; T35-L41 WeakPolarHBondContact O-CB 3.49Å; T35-L41 PolarHBondContact O-N 2.92Å; T35-L41 VanDerWaalsContact O-N 3.08Å; T35-I43 HydrophobicContact CG2-CD1 4.23Å; T35-I43 HydrophobicContact CG2-CG1 3.86Å; T35-T70 HydrophobicContact CG2-CG2 4.05Å |
| 36 | G | 69.1 | Low | 69.2 | Low | 25 Ų | 25 | 55.6 Ų | 55.6 | 26% | 0.258 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 94 | 159.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y38 C39 | G36-Y38 PolarHBondContact O-N 3.36Å; G36-C39 PolarHBondContact O-N 2.87Å |
| 37 | A | 67.5 | Low | 69.4 | Low | 69 Ų | 69 | 60.9 Ų | 60.9 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24.2 | -172 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 38 | Y | 74.4 | Confident | 69.8 | Low | 113 Ų | 113 | 57.4 Ų | 57.4 | 44% | 0.443 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | 19.1 | 177.6 | -55.4 | -64.7 | 0 | 0 | 0 | 111.8 | Q16 G36 Q40 | Q16-Y38 WeakPolarHBondContact CB-O 3.42Å; Q16-Y38 PolarHBondContact N-O 3.39Å; G36-Y38 PolarHBondContact O-N 3.36Å; Y38-Q40 PolarHBondContact O-N 2.76Å |
| 39 | C | 72.3 | Confident | 69.2 | Low | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | S | Bend | trans | 57.5 | 25.8 | -173.7 | -48.4 | 0 | 0 | 0 | 0 | 114.6 | Q16 N17 C30 T35 G36 L41 | Q16-C39 WeakPolarHBondContact O-CB 3.45Å; N17-C39 PolarHBondContact ND2-O 2.82Å; C30-C39 WeakPolarHBondContact CA-SG 3.46Å; C30-C39 HydrophobicContact CB-CB 3.85Å; C30-C39 WeakPolarHBondContact CB-SG 3.26Å; C30-C39 WeakPolarHBondContact SG-CA 3.37Å; C30-C39 WeakPolarHBondContact SG-CB 3.31Å; C30-C39 CovalentContact SG-SG 2.04Å; C30-C39 PolarHBondContact SG-SG 3.39Å; T35-C39 CarbonylContact O-C 3.31Å; T35-C39 VanDerWaalsContact O-C 3.3Å; T35-C39 WeakPolarHBondContact O-CA 3.19Å; G36-C39 PolarHBondContact O-N 2.87Å; C39-L41 VanDerWaalsContact C-N 3.28Å; C39-L41 PolarHBondContact O-N 2.93Å |
| 40 | Q | 70.1 | Confident | 68.3 | Low | 45 Ų | 45 | 60.9 Ų | 60.9 | 21% | 0.21 | 35% | 0.35 | C | S | . | . | trans | -83 | 7.5 | -173 | 78 | -80.8 | 28.8 | 0 | 0 | 115.1 | Q16 T35 Y38 H72 | Q16-Q40 VanDerWaalsContact OE1-CB 3.27Å; T35-Q40 PolarHBondContact O-N 2.77Å; Y38-Q40 PolarHBondContact O-N 2.76Å; Q40-H72 PolarHBondContact O-ND1 3.13Å | ||
| 41 | L | 74.4 | Confident | 66.9 | Low | 34 Ų | 34 | 64.1 Ų | 64.1 | 18% | 0.178 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 123.6 | 177.8 | -60.6 | 173.5 | 0 | 0 | 0 | 110.2 | Y34 T35 C39 C71 H72 | Y34-L41 WeakPolarHBondContact CA-O 3.32Å; T35-L41 HydrophobicContact CG2-CB 3.93Å; T35-L41 PolarHBondContact N-O 2.85Å; T35-L41 WeakPolarHBondContact O-CB 3.49Å; T35-L41 PolarHBondContact O-N 2.92Å; T35-L41 VanDerWaalsContact O-N 3.08Å; C39-L41 VanDerWaalsContact C-N 3.28Å; C39-L41 PolarHBondContact O-N 2.93Å; L41-C71 WeakPolarHBondContact CA-O 3.47Å; L41-H72 HydrophobicContact CD2-CB 4.24Å |
| 42 | G | 70.1 | Confident | 66.1 | Low | 5 Ų | 5 | 71 Ų | 71 | 5% | 0.052 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 142 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | T70 C71 | G42-T70 CarbonylContact O-C 3.34Å; G42-T70 WeakPolarHBondContact O-CA 3.3Å; G42-T70 WeakPolarHBondContact O-CB 3.3Å; G42-C71 PolarHBondContact N-O 3.27Å; G42-C71 PolarHBondContact O-N 2.94Å |
| 43 | I | 68.8 | Low | 65.7 | Low | 32 Ų | 32 | 71.3 Ų | 71.3 | 16% | 0.164 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 124.4 | 178.4 | -53.9 | 171.7 | 0 | 0 | 0 | 108.6 | G33 T35 Y63 L68 | G33-I43 WeakPolarHBondContact O-CB 3.37Å; G33-I43 WeakPolarHBondContact O-CG1 3.32Å; G33-I43 PolarHBondContact O-N 2.92Å; T35-I43 HydrophobicContact CG2-CD1 4.23Å; T35-I43 HydrophobicContact CG2-CG1 3.86Å; I43-Y63 HydrophobicContact CD1-CD1 3.79Å; I43-Y63 HydrophobicContact CD1-CD2 3.51Å; I43-Y63 HydrophobicContact CD1-CE1 3.66Å; I43-Y63 HydrophobicContact CD1-CE2 3.37Å; I43-Y63 HydrophobicContact CD1-CG 3.7Å; I43-Y63 VanDerWaalsContact CD1-CZ 3.43Å; I43-L68 HydrophobicContact CG2-CB 4.13Å; I43-L68 HydrophobicContact CG2-CD1 3.86Å |
| 44 | T | 67.8 | Low | 65.4 | Low | 25 Ų | 25 | 70.2 Ų | 70.2 | 15% | 0.153 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 162.9 | 177.6 | 83 | 0 | 0 | 0 | 0 | 111.6 | T46 C69 | T44-T46 PolarHBondContact O-N 2.89Å; T44-T46 WeakPolarHBondContact OG1-CB 3.35Å; T44-T46 PolarHBondContact OG1-N 3.05Å; T44-T46 VanDerWaalsContact OG1-N 3.08Å; T44-T46 PolarHBondContact OG1-OG1 2.64Å; T44-C69 PolarHBondContact N-O 2.91Å; T44-C69 PolarHBondContact OG1-O 3.23Å |
| 45 | Q | 63.4 | Low | 64.4 | Low | 174 Ų | 174 | 72.6 Ų | 72.6 | 81% | 0.813 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 12 | 170.4 | -61.4 | -178.5 | -1.7 | 0 | 0 | 112.9 | ||
| 46 | T | 62.3 | Low | 63.5 | Low | 66 Ų | 66 | 74.8 Ų | 74.8 | 41% | 0.405 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 110 | -170.9 | -35.6 | 0 | 0 | 0 | 0 | 111.2 | T44 L68 C69 | T44-T46 PolarHBondContact O-N 2.89Å; T44-T46 WeakPolarHBondContact OG1-CB 3.35Å; T44-T46 PolarHBondContact OG1-N 3.05Å; T44-T46 VanDerWaalsContact OG1-N 3.08Å; T44-T46 PolarHBondContact OG1-OG1 2.64Å; T46-L68 WeakPolarHBondContact O-CA 3.41Å; T46-C69 PolarHBondContact O-N 2.88Å |
| 47 | L | 62.8 | Low | 62.8 | Low | 129 Ų | 129 | 76.8 Ų | 76.8 | 68% | 0.675 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 132.4 | 176.6 | -73.1 | 159.3 | 0 | 0 | 0 | 112.3 | A66 Y67 L68 | L47-A66 HydrophobicContact CD2-CB 4.14Å; L47-Y67 WeakPolarHBondContact CA-O 3.45Å; L47-L68 HydrophobicContact CD2-CD2 4.06Å; L47-L68 HydrophobicContact CG-CD2 4.26Å |
| 48 | C | 67.3 | Low | 62.4 | Low | 10 Ų | 10 | 75 Ų | 75 | 7% | 0.068 | 42% | 0.417 | C | S | . | . | trans | -131.6 | 166.3 | -179.6 | 57.8 | 0 | 0 | 0 | 0 | 112.2 | R52 C60 Y67 L68 | C48-R52 WeakPolarHBondContact CA-O 3.33Å; C48-R52 WeakPolarHBondContact CB-O 3.24Å; C48-C60 HydrophobicContact CB-CB 3.85Å; C48-C60 WeakPolarHBondContact CB-SG 3.21Å; C48-C60 VanDerWaalsContact SG-CA 3.53Å; C48-C60 WeakPolarHBondContact SG-CB 3.39Å; C48-C60 CovalentContact SG-SG 2.03Å; C48-C60 PolarHBondContact SG-SG 2.8Å; C48-Y67 PolarHBondContact N-O 2.8Å; C48-Y67 VanDerWaalsContact O-CB 3.27Å; C48-Y67 WeakPolarHBondContact O-CB 3.4Å; C48-Y67 VanDerWaalsContact SG-C 3.55Å; C48-L68 PolarHBondContact SG-O 2.89Å | ||
| 49 | S | 61.7 | Low | 61.6 | Low | 46 Ų | 46 | 73.2 Ų | 73.2 | 32% | 0.322 | 42% | 0.42 | S | S | . | . | B | Isolated β-bridge | trans | -163 | 175.3 | 177.4 | 75.6 | 0 | 0 | 0 | 0 | 111.6 | S51 R52 | S49-S51 PolarHBondContact O-N 2.9Å; S49-S51 PolarHBondContact OG-N 3.08Å; S49-S51 PolarHBondContact OG-OG 3.31Å; S49-R52 PolarHBondContact N-O 3.24Å; S49-R52 CarbonylContact O-C 3.39Å; S49-R52 PolarHBondContact O-N 2.9Å; S49-R52 VanDerWaalsContact O-O 3.05Å; S49-R52 PolarHBondContact OG-N 3.18Å |
| 50 | N | 53.8 | Low | 61.7 | Low | 180 Ų | 180 | 75.3 Ų | 75.3 | 96% | 0.963 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -12.3 | 172.6 | -70.6 | -2.8 | 0 | 0 | 0 | 114.7 | ||
| 51 | S | 48.7 | Very low | 61.6 | Low | 110 Ų | 110 | 76.7 Ų | 76.7 | 77% | 0.769 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | 3.1 | 173.3 | 59.3 | 0 | 0 | 0 | 0 | 114 | S49 | S49-S51 PolarHBondContact O-N 2.9Å; S49-S51 PolarHBondContact OG-N 3.08Å; S49-S51 PolarHBondContact OG-OG 3.31Å |
| 52 | R | 55.2 | Low | 61.3 | Low | 187 Ų | 187 | 80.6 Ų | 80.6 | 71% | 0.706 | 46% | 0.46 | S | S | * | . | B | Isolated β-bridge | trans | -142.7 | 90.7 | 175.3 | -70.6 | -170.2 | 177.5 | -170.4 | 0.1 | 110.3 | C48 S49 | C48-R52 WeakPolarHBondContact CA-O 3.33Å; C48-R52 WeakPolarHBondContact CB-O 3.24Å; S49-R52 PolarHBondContact N-O 3.24Å; S49-R52 CarbonylContact O-C 3.39Å; S49-R52 PolarHBondContact O-N 2.9Å; S49-R52 VanDerWaalsContact O-O 3.05Å; S49-R52 PolarHBondContact OG-N 3.18Å |
| 53 | T | 58.8 | Low | 60.8 | Low | 128 Ų | 128 | 85 Ų | 85 | 79% | 0.785 | 48% | 0.475 | S | S | * | . | trans | -66.3 | 154.4 | 171.3 | 50.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 54 | C | 60.1 | Low | 60.1 | Low | 4 Ų | 4 | 87.6 Ų | 87.6 | 3% | 0.027 | 51% | 0.51 | C | S | . | . | trans | -64.7 | 145.7 | 176.5 | -62.1 | 0 | 0 | 0 | 0 | 111.6 | D56 G57 S58 C69 | C54-D56 VanDerWaalsContact C-N 3.26Å; C54-D56 PolarHBondContact O-N 2.84Å; C54-G57 PolarHBondContact O-N 3.12Å; C54-S58 WeakPolarHBondContact CB-O 3.47Å; C54-S58 PolarHBondContact SG-O 3.1Å; C54-C69 WeakPolarHBondContact CA-SG 3.48Å; C54-C69 HydrophobicContact CB-CB 3.91Å; C54-C69 WeakPolarHBondContact CB-SG 3.4Å; C54-C69 WeakPolarHBondContact SG-CA 3.31Å; C54-C69 WeakPolarHBondContact SG-CB 3.36Å; C54-C69 CovalentContact SG-SG 2.03Å; C54-C69 PolarHBondContact SG-SG 2.82Å | ||
| 55 | P | 52.2 | Low | 59.6 | Low | 103 Ų | 103 | 89.6 Ų | 89.6 | 67% | 0.669 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -35.1 | -172 | -27.5 | 35.8 | 0 | 0 | 0 | 114.8 | ||
| 56 | D | 51.7 | Low | 59.5 | Low | 86 Ų | 86 | 83 Ų | 83 | 46% | 0.46 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 9.2 | -177.9 | -51.2 | -29 | 0 | 0 | 0 | 112.8 | C54 S58 Y885 | C54-D56 VanDerWaalsContact C-N 3.26Å; C54-D56 PolarHBondContact O-N 2.84Å; D56-S58 VanDerWaalsContact C-N 3.31Å; D56-S58 PolarHBondContact O-N 2.99Å; D56-Y885 WeakPolarHBondContact OD2-CE1 3.35Å; D56-Y885 PolarHBondContact OD2-OH 3.37Å |
| 57 | G | 56.3 | Low | 60 | Low | 67 Ų | 67 | 85.4 Ų | 85.4 | 69% | 0.691 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 80.4 | 3.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | C54 | C54-G57 PolarHBondContact O-N 3.12Š|
| 58 | S | 57.3 | Low | 60.6 | Low | 30 Ų | 30 | 80.6 Ų | 80.6 | 21% | 0.21 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 156.6 | -179.6 | -6.4 | 0 | 0 | 0 | 0 | 114.2 | C54 D56 T70 | C54-S58 WeakPolarHBondContact CB-O 3.47Å; C54-S58 PolarHBondContact SG-O 3.1Å; D56-S58 VanDerWaalsContact C-N 3.31Å; D56-S58 PolarHBondContact O-N 2.99Å; S58-T70 WeakPolarHBondContact CB-O 3.13Å; S58-T70 PolarHBondContact OG-O 2.78Å |
| 59 | P | 59.1 | Low | 60.9 | Low | 77 Ų | 77 | 80.4 Ų | 80.4 | 50% | 0.5 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 136.2 | 177.4 | 26.2 | -30.1 | 0 | 0 | 0 | 112.5 | T70 | P59-T70 PolarHBondContact O-N 3Å; P59-T70 PolarHBondContact O-OG1 3.36Å |
| 60 | C | 73.2 | Confident | 61.2 | Low | 43 Ų | 43 | 78.4 Ų | 78.4 | 29% | 0.291 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 125.1 | 172.7 | -179.8 | 0 | 0 | 0 | 0 | 109 | C48 | C48-C60 HydrophobicContact CB-CB 3.85Å; C48-C60 WeakPolarHBondContact CB-SG 3.21Å; C48-C60 VanDerWaalsContact SG-CA 3.53Å; C48-C60 WeakPolarHBondContact SG-CB 3.39Å; C48-C60 CovalentContact SG-SG 2.03Å; C48-C60 PolarHBondContact SG-SG 2.8Å |
| 61 | L | 68 | Low | 61.9 | Low | 75 Ų | 75 | 70.9 Ų | 70.9 | 39% | 0.393 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 149.7 | -175.4 | -67.9 | 174.8 | 0 | 0 | 0 | 111.3 | L68 T70 | L61-L68 PolarHBondContact N-O 2.87Å; L61-L68 PolarHBondContact O-N 2.79Å; L61-T70 HydrophobicContact CD1-CG2 4.11Å |
| 62 | E | 68.4 | Low | 62.4 | Low | 116 Ų | 116 | 71.9 Ų | 71.9 | 54% | 0.542 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 127.2 | 178.2 | -164.4 | 179.8 | 147 | 0 | 0 | 110.7 | A66 Y67 | E62-A66 WeakPolarHBondContact CA-O 3.25Å; E62-Y67 HydrophobicContact CB-CD1 4.38Å; E62-Y67 HydrophobicContact CB-CD2 4.38Å; E62-Y67 HydrophobicContact CB-CE1 4.05Å; E62-Y67 HydrophobicContact CB-CE2 4Å; E62-Y67 HydrophobicContact CG-CD2 4.09Å; E62-Y67 HydrophobicContact CG-CE2 3.69Å; E62-Y67 WeakPolarHBondContact OE2-CE2 3.3Å; E62-Y67 PolarHBondContact OE2-OH 2.83Å |
| 63 | Y | 59.4 | Low | 62.6 | Low | 97 Ų | 97 | 65.1 Ų | 65.1 | 38% | 0.38 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 128.5 | 177.1 | -167 | -97.9 | 0 | 0 | 0 | 110 | I43 G65 A66 | I43-Y63 HydrophobicContact CD1-CD1 3.79Å; I43-Y63 HydrophobicContact CD1-CD2 3.51Å; I43-Y63 HydrophobicContact CD1-CE1 3.66Å; I43-Y63 HydrophobicContact CD1-CE2 3.37Å; I43-Y63 HydrophobicContact CD1-CG 3.7Å; I43-Y63 VanDerWaalsContact CD1-CZ 3.43Å; Y63-G65 PolarHBondContact O-N 2.89Å; Y63-G65 VanDerWaalsContact O-N 3.14Å; Y63-A66 PolarHBondContact N-O 2.98Å; Y63-A66 PolarHBondContact O-N 2.86Å; Y63-A66 VanDerWaalsContact O-N 3.08Å; Y63-A66 VanDerWaalsContact O-O 3.1Å |
| 64 | G | 55.6 | Low | 62.1 | Low | 87 Ų | 87 | 62 Ų | 62 | 90% | 0.897 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 20.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 65 | G | 57.1 | Low | 61 | Low | 66 Ų | 66 | 68.7 Ų | 68.7 | 68% | 0.68 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | 10.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y63 | Y63-G65 PolarHBondContact O-N 2.89Å; Y63-G65 VanDerWaalsContact O-N 3.14Å |
| 66 | A | 60.2 | Low | 60.4 | Low | 35 Ų | 35 | 72.8 Ų | 72.8 | 29% | 0.289 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 147.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L47 E62 Y63 L68 | L47-A66 HydrophobicContact CD2-CB 4.14Å; E62-A66 WeakPolarHBondContact CA-O 3.25Å; Y63-A66 PolarHBondContact N-O 2.98Å; Y63-A66 PolarHBondContact O-N 2.86Å; Y63-A66 VanDerWaalsContact O-N 3.08Å; Y63-A66 VanDerWaalsContact O-O 3.1Å; A66-L68 HydrophobicContact CB-CG 4.44Å |
| 67 | Y | 73.9 | Confident | 59.8 | Low | 117 Ų | 117 | 75 Ų | 75 | 46% | 0.459 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 114.4 | 174.7 | -79.5 | -102 | 0 | 0 | 0 | 109.6 | L47 C48 E62 | L47-Y67 WeakPolarHBondContact CA-O 3.45Å; C48-Y67 PolarHBondContact N-O 2.8Å; C48-Y67 VanDerWaalsContact O-CB 3.27Å; C48-Y67 WeakPolarHBondContact O-CB 3.4Å; C48-Y67 VanDerWaalsContact SG-C 3.55Å; E62-Y67 HydrophobicContact CB-CD1 4.38Å; E62-Y67 HydrophobicContact CB-CD2 4.38Å; E62-Y67 HydrophobicContact CB-CE1 4.05Å; E62-Y67 HydrophobicContact CB-CE2 4Å; E62-Y67 HydrophobicContact CG-CD2 4.09Å; E62-Y67 HydrophobicContact CG-CE2 3.69Å; E62-Y67 WeakPolarHBondContact OE2-CE2 3.3Å; E62-Y67 PolarHBondContact OE2-OH 2.83Å |
| 68 | L | 74 | Confident | 58.7 | Low | 28 Ų | 28 | 78.3 Ų | 78.3 | 15% | 0.147 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 147.9 | -173.3 | -64.6 | 174.9 | 0 | 0 | 0 | 111.6 | I43 T46 L47 C48 L61 A66 | I43-L68 HydrophobicContact CG2-CB 4.13Å; I43-L68 HydrophobicContact CG2-CD1 3.86Å; T46-L68 WeakPolarHBondContact O-CA 3.41Å; L47-L68 HydrophobicContact CD2-CD2 4.06Å; L47-L68 HydrophobicContact CG-CD2 4.26Å; C48-L68 PolarHBondContact SG-O 2.89Å; L61-L68 PolarHBondContact N-O 2.87Å; L61-L68 PolarHBondContact O-N 2.79Å; A66-L68 HydrophobicContact CB-CG 4.44Å |
| 69 | C | 75.3 | Confident | 57.7 | Low | 6 Ų | 6 | 84.6 Ų | 84.6 | 4% | 0.041 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 148.9 | 173.3 | -69.9 | 0 | 0 | 0 | 0 | 111.6 | T44 T46 C54 | T44-C69 PolarHBondContact N-O 2.91Å; T44-C69 PolarHBondContact OG1-O 3.23Å; T46-C69 PolarHBondContact O-N 2.88Å; C54-C69 WeakPolarHBondContact CA-SG 3.48Å; C54-C69 HydrophobicContact CB-CB 3.91Å; C54-C69 WeakPolarHBondContact CB-SG 3.4Å; C54-C69 WeakPolarHBondContact SG-CA 3.31Å; C54-C69 WeakPolarHBondContact SG-CB 3.36Å; C54-C69 CovalentContact SG-SG 2.03Å; C54-C69 PolarHBondContact SG-SG 2.82Å |
| 70 | T | 67.9 | Low | 56.4 | Low | 4 Ų | 4 | 87.5 Ų | 87.5 | 3% | 0.025 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 155.7 | 172.6 | 56.9 | 0 | 0 | 0 | 0 | 111.6 | T35 G42 S58 P59 L61 | T35-T70 HydrophobicContact CG2-CG2 4.05Å; G42-T70 CarbonylContact O-C 3.34Å; G42-T70 WeakPolarHBondContact O-CA 3.3Å; G42-T70 WeakPolarHBondContact O-CB 3.3Å; S58-T70 WeakPolarHBondContact CB-O 3.13Å; S58-T70 PolarHBondContact OG-O 2.78Å; P59-T70 PolarHBondContact O-N 3Å; P59-T70 PolarHBondContact O-OG1 3.36Å; L61-T70 HydrophobicContact CD1-CG2 4.11Å |
| 71 | C | 66.8 | Low | 54.4 | Low | 22 Ų | 22 | 91.2 Ų | 91.2 | 15% | 0.149 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 149.2 | 173.9 | 60.3 | 0 | 0 | 0 | 0 | 111 | L41 G42 | L41-C71 WeakPolarHBondContact CA-O 3.47Å; G42-C71 PolarHBondContact N-O 3.27Å; G42-C71 PolarHBondContact O-N 2.94Å |
| 72 | H | 59.2 | Low | 52.7 | Low | 132 Ų | 132 | 97 Ų | 97 | 61% | 0.611 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 138.7 | -178.3 | -167.2 | 38.3 | 0 | 0 | 0 | 111 | Q40 L41 | Q40-H72 PolarHBondContact O-ND1 3.13Å; L41-H72 HydrophobicContact CD2-CB 4.24Å |
| 73 | T | 59.6 | Low | 51.2 | Low | 45 Ų | 45 | 101.8 Ų | 101.8 | 28% | 0.276 | 56% | 0.558 | S | S | . | * | trans | -103.4 | 68.9 | -172.3 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | N17 W878 | N17-T73 PolarHBondContact ND2-OG1 2.97Å; T73-W878 HydrophobicContact CG2-CZ2 4.44Å | ||
| 74 | G | 48.4 | Very low | 50.3 | Low | 61 Ų | 61 | 102.3 Ų | 102.3 | 63% | 0.629 | 57% | 0.574 | S | S | * | * | trans | -164.1 | 119.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 75 | V | 38.4 | Very low | 49.2 | Very low | 146 Ų | 146 | 104.6 Ų | 104.6 | 89% | 0.885 | 57% | 0.57 | S | S | * | * | trans | -42.8 | 146.7 | 177.2 | 179.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 76 | E | 38 | Very low | 48.5 | Very low | 188 Ų | 188 | 108.7 Ų | 108.7 | 88% | 0.879 | 57% | 0.571 | S | S | * | * | trans | -81.9 | 149.2 | 169.3 | -63.6 | 177.6 | 124.4 | 0 | 0 | 114.3 | ||||
| 77 | P | 40.7 | Very low | 47.5 | Very low | 133 Ų | 133 | 112.7 Ų | 112.7 | 86% | 0.864 | 60% | 0.595 | S | S | * | * | trans | -113.7 | 172.6 | 159.5 | 29.2 | -12.8 | 0 | 0 | 0 | 114.4 | ||||
| 78 | D | 32.8 | Very low | 46.6 | Very low | 137 Ų | 137 | 115.2 Ų | 115.2 | 73% | 0.733 | 61% | 0.611 | S | S | * | * | trans | -116.4 | 177.4 | -153.3 | -154.3 | -35.2 | 0 | 0 | 0 | 114.4 | ||||
| 79 | H | 36.9 | Very low | 45.9 | Very low | 161 Ų | 161 | 115.4 Ų | 115.4 | 75% | 0.745 | 61% | 0.614 | S | S | * | * | trans | 79.4 | 155.7 | 161.1 | -68.9 | 14.3 | 0 | 0 | 0 | 120.9 | ||||
| 80 | M | 31.3 | Very low | 45.2 | Very low | 139 Ų | 139 | 118.1 Ų | 118.1 | 69% | 0.685 | 63% | 0.631 | S | S | * | * | cis | -168.9 | 151.9 | -35.2 | -110.3 | -53.6 | -121.7 | 0 | 0 | 111 | ||||
| 81 | D | 30.9 | Very low | 45.1 | Very low | 121 Ų | 121 | 119.1 Ų | 119.1 | 65% | 0.647 | 64% | 0.638 | S | S | * | * | trans | 65.6 | 157.8 | 151 | -70.5 | -37.4 | 0 | 0 | 0 | 126.1 | ||||
| 82 | F | 31.2 | Very low | 44.7 | Very low | 197 Ų | 197 | 122.7 Ų | 122.7 | 86% | 0.864 | 66% | 0.655 | S | S | * | * | trans | 89.1 | 126.5 | 166.3 | -76.4 | -84.4 | 0 | 0 | 0 | 123 | ||||
| 83 | Y | 37.1 | Very low | 44.9 | Very low | 215 Ų | 215 | 120.5 Ų | 120.5 | 84% | 0.843 | 66% | 0.655 | S | S | * | * | trans | -121 | 169.2 | 165.8 | -86.5 | -79.9 | 0 | 0 | 0 | 107.1 | ||||
| 84 | P | 40.3 | Very low | 45.1 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 71% | 0.708 | 67% | 0.672 | S | S | * | * | cis | -151.8 | -178.3 | 31.7 | 45.1 | -24 | 0 | 0 | 0 | 119.3 | ||||
| 85 | V | 34 | Very low | 46.3 | Very low | 135 Ų | 135 | 120.8 Ų | 120.8 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | trans | 69.2 | 135.1 | 164.2 | -165.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 86 | Q | 41.8 | Very low | 48.1 | Very low | 151 Ų | 151 | 114.6 Ų | 114.6 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -83 | 146.9 | -179.1 | -62.6 | 175.5 | -74.3 | 0 | 0 | 113.9 | ||
| 87 | P | 39.3 | Very low | 49.5 | Very low | 120 Ų | 120 | 110.1 Ų | 110.1 | 78% | 0.779 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | -82 | 143.4 | 122.1 | 34.3 | -27.9 | 0 | 0 | 0 | 109.9 | S89 | P87-S89 PolarHBondContact O-N 3.14Š| |
| 88 | Q | 55.7 | Low | 50.6 | Low | 169 Ų | 169 | 107.6 Ų | 107.6 | 79% | 0.79 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 131.7 | 172.1 | -71.9 | -172.7 | -68.4 | 0 | 0 | 110 | ||
| 89 | S | 57.8 | Low | 52.1 | Low | 32 Ų | 32 | 103.2 Ų | 103.2 | 22% | 0.224 | 56% | 0.56 | C | S | . | * | P | Polyproline II helix | trans | -76 | 138.5 | 176.3 | 177 | 0 | 0 | 0 | 0 | 109.2 | P87 C91 D92 E104 | P87-S89 PolarHBondContact O-N 3.14Å; S89-C91 PolarHBondContact O-N 2.79Å; S89-C91 WeakPolarHBondContact OG-CB 3.06Å; S89-C91 PolarHBondContact OG-N 2.97Å; S89-D92 PolarHBondContact N-OD2 2.83Å; S89-D92 VanDerWaalsContact O-CB 3.29Å; S89-D92 WeakPolarHBondContact O-CB 3.07Å; S89-D92 PolarHBondContact O-N 2.99Å; S89-E104 WeakPolarHBondContact CB-OE2 3.32Å; S89-E104 PolarHBondContact OG-OE1 3.16Å; S89-E104 PolarHBondContact OG-OE2 3.08Å |
| 90 | V | 60.5 | Low | 53.8 | Low | 64 Ų | 64 | 96.2 Ų | 96.2 | 39% | 0.388 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -63.2 | -25.2 | 173.7 | -167.5 | 0 | 0 | 0 | 0 | 110.4 | D92 S93 E104 Y109 | V90-D92 VanDerWaalsContact C-N 3.34Å; V90-D92 PolarHBondContact O-N 3.26Å; V90-S93 PolarHBondContact O-N 3.15Å; V90-S93 PolarHBondContact O-OG 3.34Å; V90-E104 PolarHBondContact N-OE1 3.04Å; V90-Y109 HydrophobicContact CB-CD1 4.23Å; V90-Y109 HydrophobicContact CG1-CD1 3.41Å; V90-Y109 VanDerWaalsContact CG1-CD1 3.41Å; V90-Y109 HydrophobicContact CG1-CE1 3.85Å; V90-Y109 HydrophobicContact CG1-CG 4.3Å |
| 91 | C | 66.7 | Low | 56 | Low | 25 Ų | 25 | 95.5 Ų | 95.5 | 17% | 0.169 | 52% | 0.522 | C | S | . | . | G | 310 helix | trans | -71.9 | -17.9 | 173.2 | -69.8 | 0 | 0 | 0 | 0 | 114.5 | S89 S93 S94 C102 | S89-C91 PolarHBondContact O-N 2.79Å; S89-C91 WeakPolarHBondContact OG-CB 3.06Å; S89-C91 PolarHBondContact OG-N 2.97Å; C91-S93 PolarHBondContact O-N 3.21Å; C91-S94 PolarHBondContact O-N 2.95Å; C91-C102 VanDerWaalsContact CA-SG 3.51Å; C91-C102 HydrophobicContact CB-CB 3.7Å; C91-C102 WeakPolarHBondContact CB-SG 3.5Å; C91-C102 VanDerWaalsContact SG-C 3.52Å; C91-C102 WeakPolarHBondContact SG-CB 3.38Å; C91-C102 CovalentContact SG-SG 2.04Å; C91-C102 PolarHBondContact SG-SG 2.92Å |
| 92 | D | 58.7 | Low | 58.4 | Low | 96 Ų | 96 | 91.5 Ų | 91.5 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -59.3 | -28.6 | 174.3 | -71.3 | -38 | 0 | 0 | 0 | 111.4 | S89 V90 S94 | S89-D92 PolarHBondContact N-OD2 2.83Å; S89-D92 VanDerWaalsContact O-CB 3.29Å; S89-D92 WeakPolarHBondContact O-CB 3.07Å; S89-D92 PolarHBondContact O-N 2.99Å; V90-D92 VanDerWaalsContact C-N 3.34Å; V90-D92 PolarHBondContact O-N 3.26Å; D92-S94 PolarHBondContact O-N 3.18Å; D92-S94 VanDerWaalsContact O-N 3.13Å |
| 93 | S | 63.2 | Low | 60.5 | Low | 86 Ų | 86 | 87.5 Ų | 87.5 | 60% | 0.601 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -69 | -2.3 | 174.7 | 71.5 | 0 | 0 | 0 | 0 | 114.5 | V90 C91 P95 | V90-S93 PolarHBondContact O-N 3.15Å; V90-S93 PolarHBondContact O-OG 3.34Å; C91-S93 PolarHBondContact O-N 3.21Å; S93-P95 WeakPolarHBondContact OG-CD 3.49Å |
| 94 | S | 63.5 | Low | 62 | Low | 93 Ų | 93 | 82 Ų | 82 | 65% | 0.65 | 46% | 0.464 | S | S | * | . | trans | 50.7 | 51 | -175.2 | -58.7 | 0 | 0 | 0 | 0 | 114.3 | C91 D92 C96 | C91-S94 PolarHBondContact O-N 2.95Å; D92-S94 PolarHBondContact O-N 3.18Å; D92-S94 VanDerWaalsContact O-N 3.13Å; S94-C96 PolarHBondContact O-N 3.35Å; S94-C96 VanDerWaalsContact O-N 3.12Å | ||
| 95 | P | 73.3 | Confident | 63.1 | Low | 19 Ų | 19 | 85.6 Ų | 85.6 | 12% | 0.123 | 46% | 0.464 | C | S | . | . | trans | -81.7 | 9.7 | -168.3 | 37.8 | -39.4 | 0 | 0 | 0 | 114.5 | S93 Y109 H121 | S93-P95 WeakPolarHBondContact OG-CD 3.49Å; P95-Y109 HydrophobicContact CB-CD2 4.11Å; P95-Y109 HydrophobicContact CB-CE1 4.33Å; P95-Y109 HydrophobicContact CB-CE2 3.44Å; P95-Y109 VanDerWaalsContact CB-CE2 3.44Å; P95-Y109 HydrophobicContact CG-CD1 4.44Å; P95-Y109 HydrophobicContact CG-CD2 3.55Å; P95-Y109 HydrophobicContact CG-CE1 4.32Å; P95-Y109 HydrophobicContact CG-CE2 3.43Å; P95-Y109 VanDerWaalsContact CG-CE2 3.43Å; P95-Y109 HydrophobicContact CG-CG 4.06Å; P95-H121 PolarHBondContact O-ND1 3.46Å; P95-H121 VanDerWaalsContact O-ND1 3.16Å | ||
| 96 | C | 76.1 | Confident | 63.9 | Low | 16 Ų | 16 | 87.5 Ų | 87.5 | 11% | 0.108 | 47% | 0.47 | C | S | . | . | trans | -111.1 | 115.1 | 176.7 | -55.8 | 0 | 0 | 0 | 0 | 109.4 | S94 C102 C111 | S94-C96 PolarHBondContact O-N 3.35Å; S94-C96 VanDerWaalsContact O-N 3.12Å; C96-C102 HydrophobicContact CB-CB 4.49Å; C96-C102 WeakPolarHBondContact SG-CB 3.36Å; C96-C111 WeakPolarHBondContact CA-SG 3.47Å; C96-C111 HydrophobicContact CB-CB 3.73Å; C96-C111 WeakPolarHBondContact CB-SG 3.41Å; C96-C111 WeakPolarHBondContact SG-CA 3.41Å; C96-C111 WeakPolarHBondContact SG-CB 3.49Å; C96-C111 CovalentContact SG-SG 2.03Å; C96-C111 PolarHBondContact SG-SG 2.79Å | ||
| 97 | L | 67.5 | Low | 64.7 | Low | 94 Ų | 94 | 84.7 Ų | 84.7 | 49% | 0.492 | 48% | 0.481 | S | S | . | . | trans | -81.8 | 171 | -175.8 | -55.5 | 176.5 | 0 | 0 | 0 | 111.5 | G99 G100 H121 C122 E123 | L97-G99 PolarHBondContact O-N 3.07Å; L97-G100 PolarHBondContact O-N 3.49Å; L97-G100 VanDerWaalsContact O-N 3.11Å; L97-H121 VanDerWaalsContact CB-O 3.27Å; L97-H121 WeakPolarHBondContact CB-O 3.31Å; L97-H121 PolarHBondContact N-O 2.89Å; L97-C122 WeakPolarHBondContact O-CB 3.48Å; L97-E123 HydrophobicContact CD1-CB 4.15Å | ||
| 98 | N | 64.4 | Low | 65.8 | Low | 81 Ų | 81 | 80.3 Ų | 80.3 | 43% | 0.433 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 22.2 | 171.2 | -58.2 | -46.2 | 0 | 0 | 0 | 115.8 | Y117 C122 | N98-Y117 HydrophobicContact CB-CD1 3.45Å; N98-Y117 VanDerWaalsContact CB-CD1 3.45Å; N98-Y117 HydrophobicContact CB-CD2 4.26Å; N98-Y117 HydrophobicContact CB-CE1 3.54Å; N98-Y117 HydrophobicContact CB-CE2 4.35Å; N98-Y117 HydrophobicContact CB-CG 3.84Å; N98-Y117 VanDerWaalsContact CG-CE1 3.5Å; N98-Y117 WeakPolarHBondContact ND2-CD1 3.24Å; N98-C122 PolarHBondContact ND2-O 2.75Å |
| 99 | G | 63.3 | Low | 66.8 | Low | 45 Ų | 45 | 75.6 Ų | 75.6 | 46% | 0.464 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 29 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | L97 | L97-G99 PolarHBondContact O-N 3.07Š|
| 100 | G | 74 | Confident | 67.6 | Low | 14 Ų | 14 | 77.9 Ų | 77.9 | 14% | 0.144 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 150 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L97 E112 | L97-G100 PolarHBondContact O-N 3.49Å; L97-G100 VanDerWaalsContact O-N 3.11Å; G100-E112 CarbonylContact C-O 3.52Å; G100-E112 WeakPolarHBondContact CA-O 3.2Å |
| 101 | Y | 76.4 | Confident | 68.5 | Low | 124 Ų | 124 | 75.6 Ų | 75.6 | 49% | 0.486 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 140 | 178.9 | -63.7 | -86.3 | 0 | 0 | 0 | 110.3 | C111 E112 R114 | Y101-C111 CarbonylContact O-C 3.53Å; Y101-C111 WeakPolarHBondContact O-CA 3.07Å; Y101-E112 PolarHBondContact N-O 2.88Å; Y101-E112 PolarHBondContact O-N 3.49Å; Y101-R114 PolarHBondContact OH-NH2 2.87Å |
| 102 | C | 80.6 | Confident | 69.1 | Low | 37 Ų | 37 | 80 Ų | 80 | 25% | 0.25 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 130.9 | -177.3 | -168.9 | 0 | 0 | 0 | 0 | 110.5 | C91 C96 | C91-C102 VanDerWaalsContact CA-SG 3.51Å; C91-C102 HydrophobicContact CB-CB 3.7Å; C91-C102 WeakPolarHBondContact CB-SG 3.5Å; C91-C102 VanDerWaalsContact SG-C 3.52Å; C91-C102 WeakPolarHBondContact SG-CB 3.38Å; C91-C102 CovalentContact SG-SG 2.04Å; C91-C102 PolarHBondContact SG-SG 2.92Å; C96-C102 HydrophobicContact CB-CB 4.49Å; C96-C102 WeakPolarHBondContact SG-CB 3.36Å |
| 103 | Y | 76.2 | Confident | 69.9 | Low | 113 Ų | 113 | 77.2 Ų | 77.2 | 44% | 0.443 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.3 | 178.5 | -60.4 | -81.9 | 0 | 0 | 0 | 110.2 | Y109 T110 E112 | Y103-Y109 CarbonylContact O-C 3.43Å; Y103-Y109 WeakPolarHBondContact O-CA 3.42Å; Y103-T110 PolarHBondContact N-O 3.02Å; Y103-T110 PolarHBondContact O-N 3.12Å; Y103-E112 HydrophobicContact CD2-CB 4.28Å; Y103-E112 HydrophobicContact CE2-CB 3.77Å; Y103-E112 WeakPolarHBondContact CE2-OE2 3.45Å |
| 104 | E | 68.3 | Low | 70 | Confident | 98 Ų | 98 | 80 Ų | 80 | 46% | 0.458 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 142.9 | 173 | -66 | -173.7 | 109.5 | 0 | 0 | 111.5 | S89 V90 G108 | S89-E104 WeakPolarHBondContact CB-OE2 3.32Å; S89-E104 PolarHBondContact OG-OE1 3.16Å; S89-E104 PolarHBondContact OG-OE2 3.08Å; V90-E104 PolarHBondContact N-OE1 3.04Å; E104-G108 WeakPolarHBondContact CA-O 3.24Å |
| 105 | R | 63.1 | Low | 69.5 | Low | 186 Ų | 186 | 87 Ų | 87 | 70% | 0.702 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 129.6 | 169.5 | -70.8 | -168.2 | -179.9 | -160.1 | 0.8 | 109.1 | G107 G108 | R105-G107 PolarHBondContact O-N 2.92Å; R105-G107 VanDerWaalsContact O-N 3.13Å; R105-G108 PolarHBondContact N-O 2.96Å; R105-G108 CarbonylContact O-C 3.58Å; R105-G108 PolarHBondContact O-N 3.04Å; R105-G108 VanDerWaalsContact O-O 3.04Å |
| 106 | D | 50.8 | Low | 68.7 | Low | 175 Ų | 175 | 87.9 Ų | 87.9 | 94% | 0.936 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 37.8 | 59.5 | 161.5 | -52.9 | -34.3 | 0 | 0 | 0 | 115.4 | ||
| 107 | G | 58.3 | Low | 68.2 | Low | 91 Ų | 91 | 91.3 Ų | 91.3 | 94% | 0.938 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | 7.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | R105 | R105-G107 PolarHBondContact O-N 2.92Å; R105-G107 VanDerWaalsContact O-N 3.13Å |
| 108 | G | 64.3 | Low | 68 | Low | 29 Ų | 29 | 89.1 Ų | 89.1 | 30% | 0.299 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | -172 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E104 R105 | E104-G108 WeakPolarHBondContact CA-O 3.24Å; R105-G108 PolarHBondContact N-O 2.96Å; R105-G108 CarbonylContact O-C 3.58Å; R105-G108 PolarHBondContact O-N 3.04Å; R105-G108 VanDerWaalsContact O-O 3.04Å |
| 109 | Y | 75.1 | Confident | 68.1 | Low | 70 Ų | 70 | 86.9 Ų | 86.9 | 28% | 0.275 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 152.2 | 179.9 | 67.6 | -85.2 | 0 | 0 | 0 | 112.1 | V90 P95 Y103 H121 | V90-Y109 HydrophobicContact CB-CD1 4.23Å; V90-Y109 HydrophobicContact CG1-CD1 3.41Å; V90-Y109 VanDerWaalsContact CG1-CD1 3.41Å; V90-Y109 HydrophobicContact CG1-CE1 3.85Å; V90-Y109 HydrophobicContact CG1-CG 4.3Å; P95-Y109 HydrophobicContact CB-CD2 4.11Å; P95-Y109 HydrophobicContact CB-CE1 4.33Å; P95-Y109 HydrophobicContact CB-CE2 3.44Å; P95-Y109 VanDerWaalsContact CB-CE2 3.44Å; P95-Y109 HydrophobicContact CG-CD1 4.44Å; P95-Y109 HydrophobicContact CG-CD2 3.55Å; P95-Y109 HydrophobicContact CG-CE1 4.32Å; P95-Y109 HydrophobicContact CG-CE2 3.43Å; P95-Y109 VanDerWaalsContact CG-CE2 3.43Å; P95-Y109 HydrophobicContact CG-CG 4.06Å; Y103-Y109 CarbonylContact O-C 3.43Å; Y103-Y109 WeakPolarHBondContact O-CA 3.42Å; Y109-H121 AromaticContact CE2-CE1 3.59Å; Y109-H121 AromaticContact CE2-ND1 3.61Å; Y109-H121 AromaticContact CZ-CE1 3.66Å; Y109-H121 AromaticContact CZ-ND1 3.99Å; Y109-H121 PolarHBondContact OH-CE1 2.95Å; Y109-H121 PolarHBondContact OH-ND1 3.01Å |
| 110 | T | 75.2 | Confident | 68.5 | Low | 79 Ų | 79 | 92 Ų | 92 | 49% | 0.485 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 135.4 | 178 | -58.1 | 0 | 0 | 0 | 0 | 109.2 | Y103 | Y103-T110 PolarHBondContact N-O 3.02Å; Y103-T110 PolarHBondContact O-N 3.12Å |
| 111 | C | 79.9 | Confident | 68.6 | Low | 16 Ų | 16 | 93.8 Ų | 93.8 | 11% | 0.108 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124.6 | 177.5 | -62 | 0 | 0 | 0 | 0 | 111.2 | C96 Y101 K120 | C96-C111 WeakPolarHBondContact CA-SG 3.47Å; C96-C111 HydrophobicContact CB-CB 3.73Å; C96-C111 WeakPolarHBondContact CB-SG 3.41Å; C96-C111 WeakPolarHBondContact SG-CA 3.41Å; C96-C111 WeakPolarHBondContact SG-CB 3.49Å; C96-C111 CovalentContact SG-SG 2.03Å; C96-C111 PolarHBondContact SG-SG 2.79Å; Y101-C111 CarbonylContact O-C 3.53Å; Y101-C111 WeakPolarHBondContact O-CA 3.07Å; C111-K120 WeakPolarHBondContact CB-O 3.17Å |
| 112 | E | 78.6 | Confident | 68.5 | Low | 117 Ų | 117 | 87.9 Ų | 87.9 | 55% | 0.547 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 119 | 168.2 | -171.4 | 175.2 | 179.6 | 0 | 0 | 109.9 | G100 Y101 Y103 | G100-E112 CarbonylContact C-O 3.52Å; G100-E112 WeakPolarHBondContact CA-O 3.2Å; Y101-E112 PolarHBondContact N-O 2.88Å; Y101-E112 PolarHBondContact O-N 3.49Å; Y103-E112 HydrophobicContact CD2-CB 4.28Å; Y103-E112 HydrophobicContact CE2-CB 3.77Å; Y103-E112 WeakPolarHBondContact CE2-OE2 3.45Å |
| 113 | C | 75.2 | Confident | 68 | Low | 38 Ų | 38 | 89.6 Ų | 89.6 | 26% | 0.257 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -92.9 | 131.7 | -170.3 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | Y117 C122 | C113-Y117 WeakPolarHBondContact CB-O 3.43Å; C113-C122 WeakPolarHBondContact CA-SG 3.47Å; C113-C122 HydrophobicContact CB-CB 3.78Å; C113-C122 WeakPolarHBondContact CB-SG 3.33Å; C113-C122 WeakPolarHBondContact SG-CA 3.4Å; C113-C122 WeakPolarHBondContact SG-CB 3.49Å; C113-C122 CovalentContact SG-SG 2.04Å; C113-C122 PolarHBondContact SG-SG 3.32Å |
| 114 | R | 65.3 | Low | 67.1 | Low | 145 Ų | 145 | 90.3 Ų | 90.3 | 55% | 0.547 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 147.3 | 168.8 | -88.5 | -176.7 | 171.8 | -164.2 | -2.4 | 111.2 | Y101 G116 Y117 | Y101-R114 PolarHBondContact OH-NH2 2.87Å; R114-G116 PolarHBondContact O-N 2.86Å; R114-Y117 PolarHBondContact O-N 3.02Å |
| 115 | Y | 52.7 | Low | 66.3 | Low | 239 Ų | 239 | 90 Ų | 90 | 94% | 0.937 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.3 | 126.2 | 176.2 | -73.3 | -84.8 | 0 | 0 | 0 | 112 | ||
| 116 | G | 56.8 | Low | 65.6 | Low | 38 Ų | 38 | 90.7 Ų | 90.7 | 39% | 0.392 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.3 | -11.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R114 R126 | R114-G116 PolarHBondContact O-N 2.86Å; G116-R126 PolarHBondContact O-N 2.86Å |
| 117 | Y | 66.6 | Low | 65.4 | Low | 89 Ų | 89 | 89.9 Ų | 89.9 | 35% | 0.349 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 153.7 | 178.1 | -57.4 | -87.5 | 0 | 0 | 0 | 111.8 | N98 C113 R114 K124 V125 | N98-Y117 HydrophobicContact CB-CD1 3.45Å; N98-Y117 VanDerWaalsContact CB-CD1 3.45Å; N98-Y117 HydrophobicContact CB-CD2 4.26Å; N98-Y117 HydrophobicContact CB-CE1 3.54Å; N98-Y117 HydrophobicContact CB-CE2 4.35Å; N98-Y117 HydrophobicContact CB-CG 3.84Å; N98-Y117 VanDerWaalsContact CG-CE1 3.5Å; N98-Y117 WeakPolarHBondContact ND2-CD1 3.24Å; C113-Y117 WeakPolarHBondContact CB-O 3.43Å; R114-Y117 PolarHBondContact O-N 3.02Å; Y117-K124 CarbonylContact C-O 3.51Å; Y117-V125 HydrophobicContact CD1-CG2 4.11Å; Y117-V125 HydrophobicContact CE1-CG2 3.87Å |
| 118 | S | 63.7 | Low | 65.2 | Low | 48 Ų | 48 | 89.5 Ų | 89.5 | 34% | 0.336 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 170.4 | -175.7 | 60 | 0 | 0 | 0 | 0 | 111.4 | C122 E123 K124 | S118-C122 CarbonylContact O-C 3.48Å; S118-C122 VanDerWaalsContact O-C 3.29Å; S118-C122 WeakPolarHBondContact O-CA 3.24Å; S118-E123 PolarHBondContact O-N 2.91Å; S118-K124 PolarHBondContact N-O 2.99Å; S118-K124 WeakPolarHBondContact O-CA 3.22Å; S118-K124 WeakPolarHBondContact O-CB 3.3Å; S118-K124 PolarHBondContact O-N 2.86Å; S118-K124 PolarHBondContact OG-O 3.48Å; S118-K124 VanDerWaalsContact OG-O 3.06Å |
| 119 | G | 65.3 | Low | 65 | Low | 33 Ų | 33 | 90.5 Ų | 90.5 | 34% | 0.34 | 44% | 0.441 | S | S | . | . | S | Bend | trans | 101.9 | 171.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H121 C122 E123 | G119-H121 PolarHBondContact O-N 2.91Å; G119-C122 PolarHBondContact O-N 2.8Å; G119-E123 VanDerWaalsContact CA-OE1 3.29Å; G119-E123 WeakPolarHBondContact CA-OE1 3.2Å; G119-E123 WeakPolarHBondContact CA-OE2 3.23Å |
| 120 | K | 71.6 | Confident | 64.4 | Low | 153 Ų | 153 | 88.1 Ų | 88.1 | 67% | 0.665 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -25 | -170.9 | -170.5 | -178.7 | 176.3 | -172.4 | 0 | 112.7 | C111 E123 | C111-K120 WeakPolarHBondContact CB-O 3.17Å; K120-E123 PolarHBondContact N-OE1 2.82Å; K120-E123 PolarHBondContact N-OE2 2.97Å |
| 121 | H | 76.9 | Confident | 63.4 | Low | 51 Ų | 51 | 88.4 Ų | 88.4 | 24% | 0.236 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | 19.6 | -179.2 | -54.5 | -70.6 | 0 | 0 | 0 | 111.1 | P95 L97 Y109 G119 E123 | P95-H121 PolarHBondContact O-ND1 3.46Å; P95-H121 VanDerWaalsContact O-ND1 3.16Å; L97-H121 VanDerWaalsContact CB-O 3.27Å; L97-H121 WeakPolarHBondContact CB-O 3.31Å; L97-H121 PolarHBondContact N-O 2.89Å; Y109-H121 AromaticContact CE2-CE1 3.59Å; Y109-H121 AromaticContact CE2-ND1 3.61Å; Y109-H121 AromaticContact CZ-CE1 3.66Å; Y109-H121 AromaticContact CZ-ND1 3.99Å; Y109-H121 PolarHBondContact OH-CE1 2.95Å; Y109-H121 PolarHBondContact OH-ND1 3.01Å; G119-H121 PolarHBondContact O-N 2.91Å; H121-E123 WeakPolarHBondContact CA-OE2 3.25Å; H121-E123 PolarHBondContact N-OE2 3.04Å; H121-E123 PolarHBondContact O-N 2.98Å |
| 122 | C | 74.8 | Confident | 62.5 | Low | 0 Ų | 0 | 91.6 Ų | 91.6 | 0% | 0 | 47% | 0.467 | C | S | . | . | S | Bend | trans | 57.4 | 28.5 | -172.8 | -50.4 | 0 | 0 | 0 | 0 | 113.9 | L97 N98 C113 S118 G119 K124 | L97-C122 WeakPolarHBondContact O-CB 3.48Å; N98-C122 PolarHBondContact ND2-O 2.75Å; C113-C122 WeakPolarHBondContact CA-SG 3.47Å; C113-C122 HydrophobicContact CB-CB 3.78Å; C113-C122 WeakPolarHBondContact CB-SG 3.33Å; C113-C122 WeakPolarHBondContact SG-CA 3.4Å; C113-C122 WeakPolarHBondContact SG-CB 3.49Å; C113-C122 CovalentContact SG-SG 2.04Å; C113-C122 PolarHBondContact SG-SG 3.32Å; S118-C122 CarbonylContact O-C 3.48Å; S118-C122 VanDerWaalsContact O-C 3.29Å; S118-C122 WeakPolarHBondContact O-CA 3.24Å; G119-C122 PolarHBondContact O-N 2.8Å; C122-K124 PolarHBondContact O-N 2.81Å |
| 123 | E | 69.4 | Low | 61.6 | Low | 74 Ų | 74 | 90.9 Ų | 90.9 | 35% | 0.346 | 48% | 0.475 | S | S | . | . | trans | -77.1 | -17.7 | -171.2 | 74.4 | -70.3 | 169.1 | 0 | 0 | 114.5 | L97 S118 G119 K120 H121 | L97-E123 HydrophobicContact CD1-CB 4.15Å; S118-E123 PolarHBondContact O-N 2.91Å; G119-E123 VanDerWaalsContact CA-OE1 3.29Å; G119-E123 WeakPolarHBondContact CA-OE1 3.2Å; G119-E123 WeakPolarHBondContact CA-OE2 3.23Å; K120-E123 PolarHBondContact N-OE1 2.82Å; K120-E123 PolarHBondContact N-OE2 2.97Å; H121-E123 WeakPolarHBondContact CA-OE2 3.25Å; H121-E123 PolarHBondContact N-OE2 3.04Å; H121-E123 PolarHBondContact O-N 2.98Å | ||
| 124 | K | 58.3 | Low | 61.5 | Low | 127 Ų | 127 | 90.2 Ų | 90.2 | 55% | 0.552 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 112.8 | -173.8 | -53.3 | -179 | -176.3 | 173.7 | 0 | 111.3 | Y117 S118 C122 | Y117-K124 CarbonylContact C-O 3.51Å; S118-K124 PolarHBondContact N-O 2.99Å; S118-K124 WeakPolarHBondContact O-CA 3.22Å; S118-K124 WeakPolarHBondContact O-CB 3.3Å; S118-K124 PolarHBondContact O-N 2.86Å; S118-K124 PolarHBondContact OG-O 3.48Å; S118-K124 VanDerWaalsContact OG-O 3.06Å; C122-K124 PolarHBondContact O-N 2.81Å |
| 125 | V | 51.4 | Low | 62 | Low | 91 Ų | 91 | 84.3 Ų | 84.3 | 55% | 0.552 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 125.8 | 173.7 | -173.2 | 0 | 0 | 0 | 0 | 110 | Y117 | Y117-V125 HydrophobicContact CD1-CG2 4.11Å; Y117-V125 HydrophobicContact CE1-CG2 3.87Å |
| 126 | R | 48.5 | Very low | 63 | Low | 202 Ų | 202 | 81.5 Ų | 81.5 | 76% | 0.762 | 44% | 0.439 | S | S | * | . | trans | -96.1 | 92.7 | 169.2 | -168.7 | 173 | -172 | 142.7 | 2.8 | 108.3 | G116 N128 | G116-R126 PolarHBondContact O-N 2.86Å; R126-N128 PolarHBondContact O-N 2.89Å | ||
| 127 | L | 46 | Very low | 63.2 | Low | 158 Ų | 158 | 83.6 Ų | 83.6 | 83% | 0.827 | 44% | 0.441 | S | S | * | . | trans | -54.8 | 118.6 | 179.4 | -83.1 | 160.8 | 0 | 0 | 0 | 110.8 | ||||
| 128 | N | 52.9 | Low | 63.3 | Low | 82 Ų | 82 | 82.5 Ų | 82.5 | 44% | 0.439 | 46% | 0.457 | S | S | . | . | trans | -84.8 | 120.2 | 176.9 | -176.9 | -50 | 0 | 0 | 0 | 109.7 | R126 C130 A131 E143 | R126-N128 PolarHBondContact O-N 2.89Å; N128-C130 PolarHBondContact O-N 3.28Å; N128-C130 WeakPolarHBondContact OD1-CA 3.34Å; N128-C130 VanDerWaalsContact OD1-CB 3.28Å; N128-C130 WeakPolarHBondContact OD1-CB 3.29Å; N128-C130 PolarHBondContact OD1-N 2.97Å; N128-A131 VanDerWaalsContact O-CB 3.28Å; N128-A131 WeakPolarHBondContact O-CB 3.39Å; N128-A131 PolarHBondContact O-N 2.8Å; N128-A131 VanDerWaalsContact O-N 3.09Å; N128-E143 PolarHBondContact ND2-OE2 2.81Å | ||
| 129 | T | 61 | Low | 63.8 | Low | 50 Ų | 50 | 80.9 Ų | 80.9 | 31% | 0.307 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -61.7 | -27.8 | -174.4 | -31.3 | 0 | 0 | 0 | 0 | 112.9 | A131 S132 E143 Y148 | T129-A131 VanDerWaalsContact C-N 3.33Å; T129-A131 PolarHBondContact O-N 2.89Å; T129-S132 PolarHBondContact O-OG 3.49Å; T129-E143 WeakPolarHBondContact CB-OE1 3.42Å; T129-E143 PolarHBondContact N-OE1 3.12Å; T129-E143 PolarHBondContact OG1-OE1 3.09Å; T129-Y148 HydrophobicContact CG2-CD1 3.65Å; T129-Y148 HydrophobicContact CG2-CE1 4.48Å; T129-Y148 HydrophobicContact CG2-CG 4.45Å |
| 130 | C | 62.6 | Low | 64.3 | Low | 21 Ų | 21 | 82.9 Ų | 82.9 | 14% | 0.142 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -77.8 | -9.9 | 178.1 | -74.4 | 0 | 0 | 0 | 0 | 114.6 | N128 S132 S133 C141 K142 | N128-C130 PolarHBondContact O-N 3.28Å; N128-C130 WeakPolarHBondContact OD1-CA 3.34Å; N128-C130 VanDerWaalsContact OD1-CB 3.28Å; N128-C130 WeakPolarHBondContact OD1-CB 3.29Å; N128-C130 PolarHBondContact OD1-N 2.97Å; C130-S132 PolarHBondContact O-N 3.06Å; C130-S133 PolarHBondContact O-N 2.9Å; C130-C141 WeakPolarHBondContact CA-SG 3.44Å; C130-C141 HydrophobicContact CB-CB 3.58Å; C130-C141 WeakPolarHBondContact CB-SG 3.45Å; C130-C141 WeakPolarHBondContact SG-CB 3.18Å; C130-C141 CovalentContact SG-SG 2.03Å; C130-C141 PolarHBondContact SG-SG 3.45Å; C130-K142 PolarHBondContact SG-N 2.95Å; C130-K142 VanDerWaalsContact SG-N 3.43Å |
| 131 | A | 54.9 | Low | 64.7 | Low | 85 Ų | 85 | 77.3 Ų | 77.3 | 70% | 0.702 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -62.3 | -14 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N128 T129 S133 | N128-A131 VanDerWaalsContact O-CB 3.28Å; N128-A131 WeakPolarHBondContact O-CB 3.39Å; N128-A131 PolarHBondContact O-N 2.8Å; N128-A131 VanDerWaalsContact O-N 3.09Å; T129-A131 VanDerWaalsContact C-N 3.33Å; T129-A131 PolarHBondContact O-N 2.89Å; A131-S133 VanDerWaalsContact C-N 3.3Å |
| 132 | S | 59.9 | Low | 64.7 | Low | 83 Ų | 83 | 81.1 Ų | 81.1 | 58% | 0.58 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -81.6 | 1.3 | 175 | 59.4 | 0 | 0 | 0 | 0 | 114.7 | T129 C130 | T129-S132 PolarHBondContact O-OG 3.49Å; C130-S132 PolarHBondContact O-N 3.06Å |
| 133 | S | 59.3 | Low | 64.3 | Low | 102 Ų | 102 | 85.1 Ų | 85.1 | 71% | 0.713 | 47% | 0.471 | S | S | * | . | trans | 46.6 | 49.9 | -174.8 | -64.1 | 0 | 0 | 0 | 0 | 114.7 | C130 A131 C135 | C130-S133 PolarHBondContact O-N 2.9Å; A131-S133 VanDerWaalsContact C-N 3.3Å; S133-C135 PolarHBondContact O-N 3.25Å | ||
| 134 | P | 73.8 | Confident | 63.7 | Low | 23 Ų | 23 | 87.1 Ų | 87.1 | 15% | 0.149 | 48% | 0.48 | C | S | . | . | trans | -81.2 | 20.2 | -166.3 | 37.4 | -39.4 | 0 | 0 | 0 | 114.5 | Y148 H160 | P134-Y148 HydrophobicContact CB-CD2 4.08Å; P134-Y148 HydrophobicContact CB-CE1 4.37Å; P134-Y148 HydrophobicContact CB-CE2 3.44Å; P134-Y148 VanDerWaalsContact CB-CE2 3.44Å; P134-Y148 HydrophobicContact CG-CD1 4.38Å; P134-Y148 HydrophobicContact CG-CD2 3.42Å; P134-Y148 VanDerWaalsContact CG-CD2 3.42Å; P134-Y148 HydrophobicContact CG-CE1 4.29Å; P134-Y148 HydrophobicContact CG-CE2 3.34Å; P134-Y148 HydrophobicContact CG-CG 3.95Å; P134-H160 PolarHBondContact O-ND1 3.22Å | ||
| 135 | C | 76.2 | Confident | 63.5 | Low | 22 Ų | 22 | 85.5 Ų | 85.5 | 15% | 0.149 | 50% | 0.499 | C | S | . | . | trans | -124.1 | 130.5 | -174.5 | -55.4 | 0 | 0 | 0 | 0 | 110.2 | S133 G139 C141 C150 | S133-C135 PolarHBondContact O-N 3.25Å; C135-G139 WeakPolarHBondContact CB-O 3.43Å; C135-C141 VanDerWaalsContact SG-CB 3.55Å; C135-C150 WeakPolarHBondContact CA-SG 3.15Å; C135-C150 HydrophobicContact CB-CB 3.75Å; C135-C150 WeakPolarHBondContact CB-SG 3.43Å; C135-C150 WeakPolarHBondContact SG-CA 3.4Å; C135-C150 WeakPolarHBondContact SG-CB 3.24Å; C135-C150 CovalentContact SG-SG 2.03Å; C135-C150 PolarHBondContact SG-SG 2.79Å | ||
| 136 | R | 72.5 | Confident | 63.8 | Low | 179 Ų | 179 | 84.6 Ų | 84.6 | 68% | 0.675 | 51% | 0.509 | S | S | * | . | trans | -99.9 | 176.5 | -176.6 | -59.2 | -174.8 | 173.8 | -160.5 | -3.5 | 111.1 | G138 G139 H160 C161 | R136-G138 PolarHBondContact O-N 2.86Å; R136-G139 PolarHBondContact O-N 3.42Å; R136-H160 WeakPolarHBondContact CB-O 3.41Å; R136-H160 PolarHBondContact N-O 3.27Å; R136-C161 WeakPolarHBondContact O-CB 3.37Å | ||
| 137 | N | 62.7 | Low | 64.3 | Low | 83 Ų | 83 | 78.3 Ų | 78.3 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 34.5 | 170.4 | -59.8 | -27 | 0 | 0 | 0 | 114.9 | P153 F156 C161 | N137-P153 WeakPolarHBondContact O-CG 3.45Å; N137-F156 HydrophobicContact CB-CD1 3.98Å; N137-F156 HydrophobicContact CB-CD2 3.91Å; N137-F156 HydrophobicContact CB-CE1 4.05Å; N137-F156 HydrophobicContact CB-CE2 3.98Å; N137-F156 HydrophobicContact CB-CG 3.91Å; N137-F156 HydrophobicContact CB-CZ 4.05Å; N137-C161 PolarHBondContact ND2-O 2.73Å |
| 138 | G | 66.9 | Low | 65.7 | Low | 66 Ų | 66 | 74.1 Ų | 74.1 | 68% | 0.68 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 13.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R136 | R136-G138 PolarHBondContact O-N 2.86Š|
| 139 | G | 74.6 | Confident | 66.8 | Low | 13 Ų | 13 | 75.9 Ų | 75.9 | 13% | 0.134 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 130.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | C135 R136 V151 | C135-G139 WeakPolarHBondContact CB-O 3.43Å; R136-G139 PolarHBondContact O-N 3.42Å; G139-V151 CarbonylContact C-O 3.53Å; G139-V151 WeakPolarHBondContact CA-O 3.47Å |
| 140 | S | 76.8 | Confident | 67.8 | Low | 76 Ų | 76 | 74.4 Ų | 74.4 | 53% | 0.531 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 120.9 | 177.6 | -56.3 | 0 | 0 | 0 | 0 | 111 | V151 | S140-V151 PolarHBondContact N-O 2.94Å; S140-V151 WeakPolarHBondContact O-CB 3.24Å; S140-V151 PolarHBondContact O-N 2.95Å |
| 141 | C | 78.9 | Confident | 68.6 | Low | 36 Ų | 36 | 76.3 Ų | 76.3 | 24% | 0.243 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 138.1 | 175.3 | -165.7 | 0 | 0 | 0 | 0 | 111.2 | C130 C135 | C130-C141 WeakPolarHBondContact CA-SG 3.44Å; C130-C141 HydrophobicContact CB-CB 3.58Å; C130-C141 WeakPolarHBondContact CB-SG 3.45Å; C130-C141 WeakPolarHBondContact SG-CB 3.18Å; C130-C141 CovalentContact SG-SG 2.03Å; C130-C141 PolarHBondContact SG-SG 3.45Å; C135-C141 VanDerWaalsContact SG-CB 3.55Å |
| 142 | K | 77.2 | Confident | 69.7 | Low | 130 Ų | 130 | 73.9 Ų | 73.9 | 57% | 0.565 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 144.7 | 167.4 | -65.9 | -167.1 | 176.3 | -168.6 | 0 | 110 | C130 Y148 R149 V151 | C130-K142 PolarHBondContact SG-N 2.95Å; C130-K142 VanDerWaalsContact SG-N 3.43Å; K142-Y148 WeakPolarHBondContact O-CA 3.48Å; K142-R149 HydrophobicContact CB-CG 4.17Å; K142-R149 PolarHBondContact N-O 3.44Å; K142-R149 WeakPolarHBondContact O-CG 3.46Å; K142-R149 PolarHBondContact O-N 2.84Å; K142-V151 HydrophobicContact CD-CG2 4Å; K142-V151 HydrophobicContact CG-CG2 4.06Å |
| 143 | E | 66.2 | Low | 70.1 | Confident | 84 Ų | 84 | 72.2 Ų | 72.2 | 39% | 0.393 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 141.8 | 170.2 | -62.2 | -159 | 102.2 | 0 | 0 | 111 | N128 T129 S147 | N128-E143 PolarHBondContact ND2-OE2 2.81Å; T129-E143 WeakPolarHBondContact CB-OE1 3.42Å; T129-E143 PolarHBondContact N-OE1 3.12Å; T129-E143 PolarHBondContact OG1-OE1 3.09Å; E143-S147 WeakPolarHBondContact CA-O 3.32Å |
| 144 | E | 57.5 | Low | 70.2 | Confident | 116 Ų | 116 | 73.7 Ų | 73.7 | 54% | 0.542 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 120.6 | 174.7 | -165.4 | 164.4 | -123.3 | 0 | 0 | 108.8 | G146 S147 R149 | E144-G146 VanDerWaalsContact C-N 3.27Å; E144-G146 PolarHBondContact O-N 2.91Å; E144-G146 VanDerWaalsContact O-N 3.13Å; E144-S147 PolarHBondContact N-O 2.83Å; E144-S147 PolarHBondContact O-N 3.32Å; E144-R149 HydrophobicContact CB-CG 4.4Å; E144-R149 VanDerWaalsContact CD-NH1 3.29Å; E144-R149 IonicContact OE1-NH1 3.71Å; E144-R149 PolarHBondContact OE1-NH1 2.83Å; E144-R149 WeakPolarHBondContact OE2-CD 3.12Å; E144-R149 IonicContact OE2-CZ 3.71Å; E144-R149 IonicContact OE2-NE 2.74Å; E144-R149 IonicContact OE2-NH1 3.06Å; E144-R149 PolarHBondContact OE2-NH1 3.38Å |
| 145 | G | 53.3 | Low | 69.5 | Low | 93 Ų | 93 | 80.1 Ų | 80.1 | 96% | 0.959 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 16.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 146 | G | 58.2 | Low | 69.3 | Low | 72 Ų | 72 | 82.3 Ų | 82.3 | 74% | 0.742 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | 14 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E144 | E144-G146 VanDerWaalsContact C-N 3.27Å; E144-G146 PolarHBondContact O-N 2.91Å; E144-G146 VanDerWaalsContact O-N 3.13Å |
| 147 | S | 59.5 | Low | 69.2 | Low | 71 Ų | 71 | 76 Ų | 76 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 175.3 | 167.7 | -171.1 | 0 | 0 | 0 | 0 | 109.7 | E143 E144 | E143-S147 WeakPolarHBondContact CA-O 3.32Å; E144-S147 PolarHBondContact N-O 2.83Å; E144-S147 PolarHBondContact O-N 3.32Å |
| 148 | Y | 75.1 | Confident | 69.4 | Low | 70 Ų | 70 | 73.9 Ų | 73.9 | 28% | 0.275 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 152.1 | 173 | 70.2 | -89.9 | 0 | 0 | 0 | 112.4 | T129 P134 K142 H160 | T129-Y148 HydrophobicContact CG2-CD1 3.65Å; T129-Y148 HydrophobicContact CG2-CE1 4.48Å; T129-Y148 HydrophobicContact CG2-CG 4.45Å; P134-Y148 HydrophobicContact CB-CD2 4.08Å; P134-Y148 HydrophobicContact CB-CE1 4.37Å; P134-Y148 HydrophobicContact CB-CE2 3.44Å; P134-Y148 VanDerWaalsContact CB-CE2 3.44Å; P134-Y148 HydrophobicContact CG-CD1 4.38Å; P134-Y148 HydrophobicContact CG-CD2 3.42Å; P134-Y148 VanDerWaalsContact CG-CD2 3.42Å; P134-Y148 HydrophobicContact CG-CE1 4.29Å; P134-Y148 HydrophobicContact CG-CE2 3.34Å; P134-Y148 HydrophobicContact CG-CG 3.95Å; K142-Y148 WeakPolarHBondContact O-CA 3.48Å; Y148-H160 AromaticContact CE2-CE1 3.76Å; Y148-H160 AromaticContact CE2-ND1 3.96Å; Y148-H160 AromaticContact CZ-CE1 3.94Å; Y148-H160 PolarHBondContact OH-CE1 2.67Å; Y148-H160 VanDerWaalsContact OH-CE1 3.28Å |
| 149 | R | 76.6 | Confident | 69.7 | Low | 119 Ų | 119 | 78 Ų | 78 | 45% | 0.449 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 137.3 | 172.6 | 54.2 | -178.6 | -78.5 | 179.6 | -1.9 | 110.5 | K142 E144 | K142-R149 HydrophobicContact CB-CG 4.17Å; K142-R149 PolarHBondContact N-O 3.44Å; K142-R149 WeakPolarHBondContact O-CG 3.46Å; K142-R149 PolarHBondContact O-N 2.84Å; E144-R149 HydrophobicContact CB-CG 4.4Å; E144-R149 VanDerWaalsContact CD-NH1 3.29Å; E144-R149 IonicContact OE1-NH1 3.71Å; E144-R149 PolarHBondContact OE1-NH1 2.83Å; E144-R149 WeakPolarHBondContact OE2-CD 3.12Å; E144-R149 IonicContact OE2-CZ 3.71Å; E144-R149 IonicContact OE2-NE 2.74Å; E144-R149 IonicContact OE2-NH1 3.06Å; E144-R149 PolarHBondContact OE2-NH1 3.38Å |
| 150 | C | 81 | Confident | 70 | Confident | 19 Ų | 19 | 79.8 Ų | 79.8 | 13% | 0.128 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 122.4 | 174.1 | -62 | 0 | 0 | 0 | 0 | 110.3 | C135 C152 K159 | C135-C150 WeakPolarHBondContact CA-SG 3.15Å; C135-C150 HydrophobicContact CB-CB 3.75Å; C135-C150 WeakPolarHBondContact CB-SG 3.43Å; C135-C150 WeakPolarHBondContact SG-CA 3.4Å; C135-C150 WeakPolarHBondContact SG-CB 3.24Å; C135-C150 CovalentContact SG-SG 2.03Å; C135-C150 PolarHBondContact SG-SG 2.79Å; C150-C152 PolarHBondContact O-N 3.21Å; C150-K159 WeakPolarHBondContact CB-O 3.36Å; C150-K159 PolarHBondContact SG-O 2.57Å |
| 151 | V | 80.1 | Confident | 70 | Confident | 60 Ų | 60 | 76.1 Ų | 76.1 | 36% | 0.364 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 97.9 | 170.6 | -176.6 | 0 | 0 | 0 | 0 | 107.5 | G139 S140 K142 | G139-V151 CarbonylContact C-O 3.53Å; G139-V151 WeakPolarHBondContact CA-O 3.47Å; S140-V151 PolarHBondContact N-O 2.94Å; S140-V151 WeakPolarHBondContact O-CB 3.24Å; S140-V151 PolarHBondContact O-N 2.95Å; K142-V151 HydrophobicContact CD-CG2 4Å; K142-V151 HydrophobicContact CG-CG2 4.06Å |
| 152 | C | 77 | Confident | 69.7 | Low | 35 Ų | 35 | 79 Ų | 79 | 24% | 0.236 | 42% | 0.423 | C | S | . | . | trans | -76.5 | 146.3 | -174.1 | -53.6 | 0 | 0 | 0 | 0 | 112.7 | C150 F156 C161 | C150-C152 PolarHBondContact O-N 3.21Å; C152-F156 HydrophobicContact CB-CB 4.36Å; C152-F156 WeakPolarHBondContact CB-O 3.49Å; C152-C161 WeakPolarHBondContact CA-SG 3.45Å; C152-C161 HydrophobicContact CB-CB 3.67Å; C152-C161 WeakPolarHBondContact CB-SG 3.47Å; C152-C161 WeakPolarHBondContact SG-CA 3.47Å; C152-C161 WeakPolarHBondContact SG-CB 3.47Å; C152-C161 CovalentContact SG-SG 2.03Å; C152-C161 PolarHBondContact SG-SG 2.99Å | ||
| 153 | P | 69.6 | Low | 69 | Low | 47 Ų | 47 | 76.3 Ų | 76.3 | 31% | 0.305 | 42% | 0.418 | S | S | . | . | trans | -63.2 | 153.6 | 168.8 | -18.1 | 33.7 | 0 | 0 | 0 | 109.9 | N137 R155 F156 | N137-P153 WeakPolarHBondContact O-CG 3.45Å; P153-R155 PolarHBondContact O-N 3.43Å; P153-F156 HydrophobicContact CB-CD2 4.48Å; P153-F156 PolarHBondContact O-N 2.97Å | ||
| 154 | Y | 60.6 | Low | 68.7 | Low | 133 Ų | 133 | 74.8 Ų | 74.8 | 52% | 0.522 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -16.4 | -167.6 | 66.8 | -88 | 0 | 0 | 0 | 116.6 | H182 | Y154-H182 AromaticContact CD2-CE1 2.96Å; Y154-H182 WeakPolarHBondContact CD2-CE1 3.4Å; Y154-H182 AromaticContact CE2-CE1 2.82Å; Y154-H182 WeakPolarHBondContact CE2-CE1 3.32Å |
| 155 | R | 59.3 | Low | 68.7 | Low | 159 Ų | 159 | 75.1 Ų | 75.1 | 60% | 0.6 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 0.3 | 174.5 | -58.2 | -146.3 | -68.3 | 170 | -3.6 | 114.7 | P153 G164 K165 | P153-R155 PolarHBondContact O-N 3.43Å; R155-G164 CarbonylContact O-C 3.55Å; R155-G164 WeakPolarHBondContact O-CA 3.43Å; R155-K165 PolarHBondContact O-N 2.68Å |
| 156 | F | 72.3 | Confident | 69 | Low | 68 Ų | 68 | 75.9 Ų | 75.9 | 30% | 0.298 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 149.8 | -177.8 | -61 | -76.6 | 0 | 0 | 0 | 112.9 | N137 C152 P153 C161 V163 | N137-F156 HydrophobicContact CB-CD1 3.98Å; N137-F156 HydrophobicContact CB-CD2 3.91Å; N137-F156 HydrophobicContact CB-CE1 4.05Å; N137-F156 HydrophobicContact CB-CE2 3.98Å; N137-F156 HydrophobicContact CB-CG 3.91Å; N137-F156 HydrophobicContact CB-CZ 4.05Å; C152-F156 HydrophobicContact CB-CB 4.36Å; C152-F156 WeakPolarHBondContact CB-O 3.49Å; P153-F156 HydrophobicContact CB-CD2 4.48Å; P153-F156 PolarHBondContact O-N 2.97Å; F156-C161 HydrophobicContact CB-CB 4.22Å; F156-V163 CarbonylContact C-O 3.59Å; F156-V163 WeakPolarHBondContact CA-O 3.38Å |
| 157 | T | 69.1 | Low | 69.1 | Low | 47 Ų | 47 | 76.3 Ų | 76.3 | 29% | 0.288 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | -176.7 | -179.6 | 55.1 | 0 | 0 | 0 | 0 | 109.8 | C161 E162 V163 K165 | T157-C161 CarbonylContact O-C 3.54Å; T157-C161 VanDerWaalsContact O-CA 3.28Å; T157-C161 WeakPolarHBondContact O-CA 3.25Å; T157-E162 PolarHBondContact O-N 3.05Å; T157-E162 VanDerWaalsContact O-N 3.11Å; T157-V163 PolarHBondContact N-O 3.07Å; T157-V163 PolarHBondContact O-N 2.93Å; T157-V163 PolarHBondContact OG1-O 2.9Å; T157-K165 HydrophobicContact CG2-CB 4.45Å; T157-K165 HydrophobicContact CG2-CD 3.72Å; T157-K165 HydrophobicContact CG2-CG 4.06Å |
| 158 | G | 67 | Low | 69.3 | Low | 37 Ų | 37 | 74.5 Ų | 74.5 | 38% | 0.381 | 38% | 0.384 | S | S | . | . | S | Bend | trans | 96.1 | 172.7 | -170 | 0 | 0 | 0 | 0 | 0 | 111.9 | H160 E162 | G158-H160 VanDerWaalsContact C-N 3.28Å; G158-H160 PolarHBondContact O-N 3.06Å; G158-E162 WeakPolarHBondContact CA-OE1 3.34Å |
| 159 | K | 74.9 | Confident | 69 | Low | 153 Ų | 153 | 72.5 Ų | 72.5 | 67% | 0.665 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -25.6 | -171.5 | -173.5 | -179.6 | 174.2 | -172.8 | 0 | 112.5 | C150 E162 | C150-K159 WeakPolarHBondContact CB-O 3.36Å; C150-K159 PolarHBondContact SG-O 2.57Å; K159-E162 PolarHBondContact N-OE1 3.15Å; K159-E162 PolarHBondContact N-OE2 2.62Å; K159-E162 VanDerWaalsContact N-OE2 3.16Å |
| 160 | H | 79 | Confident | 68.7 | Low | 50 Ų | 50 | 71.3 Ų | 71.3 | 23% | 0.231 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 17.1 | -177.8 | -52.8 | -76.2 | 0 | 0 | 0 | 111.7 | P134 R136 Y148 G158 E162 | P134-H160 PolarHBondContact O-ND1 3.22Å; R136-H160 WeakPolarHBondContact CB-O 3.41Å; R136-H160 PolarHBondContact N-O 3.27Å; Y148-H160 AromaticContact CE2-CE1 3.76Å; Y148-H160 AromaticContact CE2-ND1 3.96Å; Y148-H160 AromaticContact CZ-CE1 3.94Å; Y148-H160 PolarHBondContact OH-CE1 2.67Å; Y148-H160 VanDerWaalsContact OH-CE1 3.28Å; G158-H160 VanDerWaalsContact C-N 3.28Å; G158-H160 PolarHBondContact O-N 3.06Å; H160-E162 VanDerWaalsContact C-N 3.34Å; H160-E162 WeakPolarHBondContact CA-OE2 3.16Å; H160-E162 WeakPolarHBondContact CB-OE2 3.49Å; H160-E162 PolarHBondContact N-OE2 2.93Å |
| 161 | C | 77.3 | Confident | 68.2 | Low | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 41% | 0.412 | C | S | . | . | S | Bend | trans | 65.6 | 30 | -177.1 | -45.4 | 0 | 0 | 0 | 0 | 115 | R136 N137 C152 F156 T157 | R136-C161 WeakPolarHBondContact O-CB 3.37Å; N137-C161 PolarHBondContact ND2-O 2.73Å; C152-C161 WeakPolarHBondContact CA-SG 3.45Å; C152-C161 HydrophobicContact CB-CB 3.67Å; C152-C161 WeakPolarHBondContact CB-SG 3.47Å; C152-C161 WeakPolarHBondContact SG-CA 3.47Å; C152-C161 WeakPolarHBondContact SG-CB 3.47Å; C152-C161 CovalentContact SG-SG 2.03Å; C152-C161 PolarHBondContact SG-SG 2.99Å; F156-C161 HydrophobicContact CB-CB 4.22Å; T157-C161 CarbonylContact O-C 3.54Å; T157-C161 VanDerWaalsContact O-CA 3.28Å; T157-C161 WeakPolarHBondContact O-CA 3.25Å |
| 162 | E | 72.3 | Confident | 67.8 | Low | 95 Ų | 95 | 77.5 Ų | 77.5 | 44% | 0.444 | 43% | 0.431 | S | S | . | . | trans | -79.7 | -16.4 | -174 | 67.9 | -76.3 | -179 | 0 | 0 | 115.8 | T157 G158 K159 H160 | T157-E162 PolarHBondContact O-N 3.05Å; T157-E162 VanDerWaalsContact O-N 3.11Å; G158-E162 WeakPolarHBondContact CA-OE1 3.34Å; K159-E162 PolarHBondContact N-OE1 3.15Å; K159-E162 PolarHBondContact N-OE2 2.62Å; K159-E162 VanDerWaalsContact N-OE2 3.16Å; H160-E162 VanDerWaalsContact C-N 3.34Å; H160-E162 WeakPolarHBondContact CA-OE2 3.16Å; H160-E162 WeakPolarHBondContact CB-OE2 3.49Å; H160-E162 PolarHBondContact N-OE2 2.93Å | ||
| 163 | V | 64.3 | Low | 68 | Low | 75 Ų | 75 | 77 Ų | 77 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 133.8 | -174.4 | -171 | 0 | 0 | 0 | 0 | 110.9 | F156 T157 | F156-V163 CarbonylContact C-O 3.59Å; F156-V163 WeakPolarHBondContact CA-O 3.38Å; T157-V163 PolarHBondContact N-O 3.07Å; T157-V163 PolarHBondContact O-N 2.93Å; T157-V163 PolarHBondContact OG1-O 2.9Å |
| 164 | G | 58.4 | Low | 68.6 | Low | 52 Ų | 52 | 75.9 Ų | 75.9 | 54% | 0.536 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 146.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R155 | R155-G164 CarbonylContact O-C 3.55Å; R155-G164 WeakPolarHBondContact O-CA 3.43Å |
| 165 | K | 57 | Low | 69.4 | Low | 122 Ų | 122 | 75 Ų | 75 | 53% | 0.53 | 42% | 0.421 | S | S | . | . | trans | -109.9 | 134.6 | -179.4 | -138.5 | -174 | -172.2 | -175.9 | 0 | 112.2 | R155 T157 | R155-K165 PolarHBondContact O-N 2.68Å; T157-K165 HydrophobicContact CG2-CB 4.45Å; T157-K165 HydrophobicContact CG2-CD 3.72Å; T157-K165 HydrophobicContact CG2-CG 4.06Å | ||
| 166 | P | 60.6 | Low | 70.3 | Confident | 110 Ų | 110 | 71.6 Ų | 71.6 | 71% | 0.714 | 42% | 0.415 | S | S | * | . | trans | -66.5 | 164.9 | 174.9 | -20.9 | 33.5 | 0 | 0 | 0 | 114.2 | ||||
| 167 | D | 60.3 | Low | 70.3 | Confident | 81 Ų | 81 | 71.9 Ų | 71.9 | 43% | 0.433 | 44% | 0.437 | S | S | . | . | trans | -78.1 | 126 | -178.3 | -166.2 | -58.9 | 0 | 0 | 0 | 112.7 | C169 S170 | D167-C169 VanDerWaalsContact C-N 3.34Å; D167-C169 PolarHBondContact O-N 2.92Å; D167-C169 PolarHBondContact OD1-N 2.87Å; D167-S170 WeakPolarHBondContact O-CB 3.45Å; D167-S170 PolarHBondContact O-N 2.92Å; D167-S170 VanDerWaalsContact O-N 3.17Å; D167-S170 PolarHBondContact O-OG 2.77Å | ||
| 168 | P | 63.3 | Low | 70.7 | Confident | 33 Ų | 33 | 70.3 Ų | 70.3 | 21% | 0.214 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -63.1 | -21.9 | 178.4 | -26 | 36.6 | 0 | 0 | 0 | 117.3 | H182 | P168-H182 VanDerWaalsContact CD-CD2 3.44Å; P168-H182 WeakPolarHBondContact CD-CD2 3.24Å; P168-H182 WeakPolarHBondContact CD-NE2 3.45Å; P168-H182 WeakPolarHBondContact CG-NE2 3.35Å |
| 169 | C | 68.8 | Low | 71.3 | Confident | 28 Ų | 28 | 72.3 Ų | 72.3 | 19% | 0.189 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -85.4 | -7.7 | 175 | -79.9 | 0 | 0 | 0 | 0 | 112.8 | D167 S171 T172 C180 | D167-C169 VanDerWaalsContact C-N 3.34Å; D167-C169 PolarHBondContact O-N 2.92Å; D167-C169 PolarHBondContact OD1-N 2.87Å; C169-S171 PolarHBondContact O-N 2.98Å; C169-S171 VanDerWaalsContact O-N 3.11Å; C169-T172 PolarHBondContact O-N 2.93Å; C169-T172 VanDerWaalsContact O-N 3.17Å; C169-C180 VanDerWaalsContact CA-SG 3.58Å; C169-C180 HydrophobicContact CB-CB 4.03Å; C169-C180 WeakPolarHBondContact CB-SG 3.37Å; C169-C180 VanDerWaalsContact SG-C 3.52Å; C169-C180 WeakPolarHBondContact SG-CB 3.44Å; C169-C180 CovalentContact SG-SG 2.05Å; C169-C180 PolarHBondContact SG-SG 2.88Å |
| 170 | S | 71.1 | Confident | 71.6 | Confident | 94 Ų | 94 | 66.8 Ų | 66.8 | 66% | 0.657 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -64.9 | -13.8 | 179.2 | 67.1 | 0 | 0 | 0 | 0 | 114.8 | D167 | D167-S170 WeakPolarHBondContact O-CB 3.45Å; D167-S170 PolarHBondContact O-N 2.92Å; D167-S170 VanDerWaalsContact O-N 3.17Å; D167-S170 PolarHBondContact O-OG 2.77Å |
| 171 | S | 70.3 | Confident | 71.3 | Confident | 84 Ų | 84 | 69 Ų | 69 | 59% | 0.587 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -103.6 | 20.9 | 176.7 | 71.1 | 0 | 0 | 0 | 0 | 114 | C169 | C169-S171 PolarHBondContact O-N 2.98Å; C169-S171 VanDerWaalsContact O-N 3.11Å |
| 172 | T | 72.6 | Confident | 70.9 | Confident | 125 Ų | 125 | 72.1 Ų | 72.1 | 77% | 0.767 | 44% | 0.439 | S | S | * | . | trans | 40.2 | 60.7 | 173.1 | 59 | 0 | 0 | 0 | 0 | 115 | C169 C174 | C169-T172 PolarHBondContact O-N 2.93Å; C169-T172 VanDerWaalsContact O-N 3.17Å; T172-C174 PolarHBondContact O-N 2.87Å | ||
| 173 | P | 79.3 | Confident | 70.1 | Confident | 23 Ų | 23 | 73.3 Ų | 73.3 | 15% | 0.149 | 44% | 0.44 | C | S | . | . | trans | -81.1 | -9.5 | -167.1 | 32.5 | -37.6 | 0 | 0 | 0 | 115.7 | Y187 | P173-Y187 HydrophobicContact CB-CD1 4.13Å; P173-Y187 HydrophobicContact CB-CD2 4.03Å; P173-Y187 HydrophobicContact CB-CE1 3.79Å; P173-Y187 HydrophobicContact CB-CE2 3.68Å; P173-Y187 HydrophobicContact CB-CG 4.26Å; P173-Y187 HydrophobicContact CG-CD1 3.74Å; P173-Y187 HydrophobicContact CG-CD2 3.51Å; P173-Y187 HydrophobicContact CG-CE1 3.95Å; P173-Y187 HydrophobicContact CG-CE2 3.73Å; P173-Y187 HydrophobicContact CG-CG 3.54Å | ||
| 174 | C | 83.3 | Confident | 69.6 | Low | 25 Ų | 25 | 76.9 Ų | 76.9 | 17% | 0.169 | 46% | 0.456 | C | S | . | . | trans | -93.8 | 135 | -174.2 | -57.8 | 0 | 0 | 0 | 0 | 112 | T172 G178 C189 | T172-C174 PolarHBondContact O-N 2.87Å; C174-G178 WeakPolarHBondContact CB-O 3.49Å; C174-C189 WeakPolarHBondContact CA-SG 3.33Å; C174-C189 HydrophobicContact CB-CB 3.71Å; C174-C189 WeakPolarHBondContact CB-SG 3.2Å; C174-C189 WeakPolarHBondContact SG-CA 3.46Å; C174-C189 WeakPolarHBondContact SG-CB 3.48Å; C174-C189 CovalentContact SG-SG 2.04Å; C174-C189 PolarHBondContact SG-SG 3.2Å | ||
| 175 | Q | 78.1 | Confident | 69.7 | Low | 114 Ų | 114 | 76 Ų | 76 | 53% | 0.533 | 45% | 0.446 | S | S | . | . | trans | -106.7 | 173.3 | -174.2 | -53.5 | -173.6 | 16.7 | 0 | 0 | 111.7 | G177 G178 D199 | Q175-G177 PolarHBondContact O-N 2.98Å; Q175-G177 VanDerWaalsContact O-N 3.12Å; Q175-G178 PolarHBondContact O-N 3.41Å; Q175-D199 WeakPolarHBondContact CB-O 3.27Å; Q175-D199 PolarHBondContact N-O 3.01Å | ||
| 176 | N | 76.4 | Confident | 69.8 | Low | 88 Ų | 88 | 77 Ų | 77 | 47% | 0.471 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 36.2 | 173.5 | -59.5 | -33.4 | 0 | 0 | 0 | 115 | G178 Y195 C200 | N176-G178 VanDerWaalsContact C-N 3.33Å; N176-Y195 HydrophobicContact CB-CD1 4.49Å; N176-Y195 HydrophobicContact CB-CG 4.45Å; N176-C200 PolarHBondContact ND2-O 3.13Å |
| 177 | G | 72.6 | Confident | 70.5 | Confident | 74 Ų | 74 | 74.9 Ų | 74.9 | 76% | 0.763 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q175 | Q175-G177 PolarHBondContact O-N 2.98Å; Q175-G177 VanDerWaalsContact O-N 3.12Å |
| 178 | G | 78.4 | Confident | 71.4 | Confident | 14 Ų | 14 | 75.7 Ų | 75.7 | 14% | 0.144 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 141.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | C174 Q175 N176 E190 | C174-G178 WeakPolarHBondContact CB-O 3.49Å; Q175-G178 PolarHBondContact O-N 3.41Å; N176-G178 VanDerWaalsContact C-N 3.33Å; G178-E190 CarbonylContact C-O 3.3Å; G178-E190 WeakPolarHBondContact CA-O 3.39Å |
| 179 | T | 78.4 | Confident | 72.3 | Confident | 78 Ų | 78 | 74.6 Ų | 74.6 | 48% | 0.479 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 134.7 | -175.8 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | F181 C189 E190 | T179-F181 HydrophobicContact CG2-CD2 4.31Å; T179-F181 HydrophobicContact CG2-CE1 4.28Å; T179-F181 HydrophobicContact CG2-CE2 3.66Å; T179-F181 HydrophobicContact CG2-CZ 3.64Å; T179-C189 WeakPolarHBondContact O-CA 3.24Å; T179-E190 PolarHBondContact N-O 3.06Å; T179-E190 PolarHBondContact O-N 3.16Å |
| 180 | C | 81.3 | Confident | 72.9 | Confident | 37 Ų | 37 | 77.9 Ų | 77.9 | 25% | 0.25 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 122.3 | 178.3 | -167.3 | 0 | 0 | 0 | 0 | 112 | C169 | C169-C180 VanDerWaalsContact CA-SG 3.58Å; C169-C180 HydrophobicContact CB-CB 4.03Å; C169-C180 WeakPolarHBondContact CB-SG 3.37Å; C169-C180 VanDerWaalsContact SG-C 3.52Å; C169-C180 WeakPolarHBondContact SG-CB 3.44Å; C169-C180 CovalentContact SG-SG 2.05Å; C169-C180 PolarHBondContact SG-SG 2.88Å |
| 181 | F | 74.3 | Confident | 73.4 | Confident | 96 Ų | 96 | 75.3 Ų | 75.3 | 42% | 0.421 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120.6 | 173.1 | -64.6 | -79.5 | 0 | 0 | 0 | 110.8 | T179 Y187 K188 E190 | T179-F181 HydrophobicContact CG2-CD2 4.31Å; T179-F181 HydrophobicContact CG2-CE1 4.28Å; T179-F181 HydrophobicContact CG2-CE2 3.66Å; T179-F181 HydrophobicContact CG2-CZ 3.64Å; F181-Y187 CarbonylContact O-C 3.46Å; F181-Y187 WeakPolarHBondContact O-CA 3.42Å; F181-K188 PolarHBondContact N-O 3.32Å; F181-K188 PolarHBondContact O-N 3.49Å; F181-E190 HydrophobicContact CD2-CB 4.22Å; F181-E190 HydrophobicContact CE2-CB 3.83Å; F181-E190 WeakPolarHBondContact CE2-OE2 3.25Å |
| 182 | H | 67.4 | Low | 73.6 | Confident | 67 Ų | 67 | 74.6 Ų | 74.6 | 31% | 0.31 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 129 | 173.7 | 170.9 | -125.3 | 0 | 0 | 0 | 110.9 | Y154 P168 G185 K186 | Y154-H182 AromaticContact CD2-CE1 2.96Å; Y154-H182 WeakPolarHBondContact CD2-CE1 3.4Å; Y154-H182 AromaticContact CE2-CE1 2.82Å; Y154-H182 WeakPolarHBondContact CE2-CE1 3.32Å; P168-H182 VanDerWaalsContact CD-CD2 3.44Å; P168-H182 WeakPolarHBondContact CD-CD2 3.24Å; P168-H182 WeakPolarHBondContact CD-NE2 3.45Å; P168-H182 WeakPolarHBondContact CG-NE2 3.35Å; H182-G185 WeakPolarHBondContact NE2-CA 3.14Å; H182-G185 PolarHBondContact NE2-N 3.46Å; H182-K186 PolarHBondContact CD2-O 3.12Å; H182-K186 VanDerWaalsContact CD2-O 3.29Å |
| 183 | Y | 56.3 | Low | 73.7 | Confident | 120 Ų | 120 | 77 Ų | 77 | 47% | 0.471 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 130 | 174.8 | 76.1 | -62.8 | 0 | 0 | 0 | 111 | G185 K186 K188 | Y183-G185 PolarHBondContact O-N 3.02Å; Y183-K186 HydrophobicContact CE1-CB 4.12Å; Y183-K186 PolarHBondContact N-O 2.93Å; Y183-K186 CarbonylContact O-C 3.56Å; Y183-K186 PolarHBondContact O-N 2.88Å; Y183-K188 HydrophobicContact CD1-CB 4.06Å; Y183-K188 HydrophobicContact CE1-CB 3.67Å |
| 184 | L | 54 | Low | 73 | Confident | 150 Ų | 150 | 82.7 Ų | 82.7 | 79% | 0.785 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 34 | 173.4 | -59.9 | 173.6 | 0 | 0 | 0 | 115.2 | ||
| 185 | G | 59.6 | Low | 72.5 | Confident | 32 Ų | 32 | 85.9 Ų | 85.9 | 33% | 0.33 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 14.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | H182 Y183 | H182-G185 WeakPolarHBondContact NE2-CA 3.14Å; H182-G185 PolarHBondContact NE2-N 3.46Å; Y183-G185 PolarHBondContact O-N 3.02Å |
| 186 | K | 59.5 | Low | 72.1 | Confident | 145 Ų | 145 | 82.3 Ų | 82.3 | 63% | 0.63 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 169.2 | 170.9 | -61.2 | -178.5 | -177.8 | 179.1 | 0 | 109.6 | H182 Y183 | H182-K186 PolarHBondContact CD2-O 3.12Å; H182-K186 VanDerWaalsContact CD2-O 3.29Å; Y183-K186 HydrophobicContact CE1-CB 4.12Å; Y183-K186 PolarHBondContact N-O 2.93Å; Y183-K186 CarbonylContact O-C 3.56Å; Y183-K186 PolarHBondContact O-N 2.88Å |
| 187 | Y | 76.1 | Confident | 71.8 | Confident | 64 Ų | 64 | 79.9 Ų | 79.9 | 25% | 0.251 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 149.4 | 168.9 | 69 | -92.9 | 0 | 0 | 0 | 110.4 | P173 F181 K198 D199 | P173-Y187 HydrophobicContact CB-CD1 4.13Å; P173-Y187 HydrophobicContact CB-CD2 4.03Å; P173-Y187 HydrophobicContact CB-CE1 3.79Å; P173-Y187 HydrophobicContact CB-CE2 3.68Å; P173-Y187 HydrophobicContact CB-CG 4.26Å; P173-Y187 HydrophobicContact CG-CD1 3.74Å; P173-Y187 HydrophobicContact CG-CD2 3.51Å; P173-Y187 HydrophobicContact CG-CE1 3.95Å; P173-Y187 HydrophobicContact CG-CE2 3.73Å; P173-Y187 HydrophobicContact CG-CG 3.54Å; F181-Y187 CarbonylContact O-C 3.46Å; F181-Y187 WeakPolarHBondContact O-CA 3.42Å; Y187-K198 PolarHBondContact OH-NZ 2.05Å; Y187-D199 VanDerWaalsContact CE2-OD1 3.28Å; Y187-D199 WeakPolarHBondContact CE2-OD1 3.34Å; Y187-D199 PolarHBondContact OH-OD1 2.93Å |
| 188 | K | 78.1 | Confident | 72 | Confident | 99 Ų | 99 | 82.9 Ų | 82.9 | 43% | 0.43 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 137.2 | 164.5 | 179.1 | -164 | 171.8 | -150.4 | 0 | 107.3 | F181 Y183 E190 | F181-K188 PolarHBondContact N-O 3.32Å; F181-K188 PolarHBondContact O-N 3.49Å; Y183-K188 HydrophobicContact CD1-CB 4.06Å; Y183-K188 HydrophobicContact CE1-CB 3.67Å; K188-E190 IonicContact NZ-OE1 2.83Å; K188-E190 PolarHBondContact NZ-OE1 3.22Å |
| 189 | C | 81.9 | Confident | 72 | Confident | 10 Ų | 10 | 83.4 Ų | 83.4 | 7% | 0.068 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 138.3 | 166.3 | -58.1 | 0 | 0 | 0 | 0 | 110.2 | C174 T179 | C174-C189 WeakPolarHBondContact CA-SG 3.33Å; C174-C189 HydrophobicContact CB-CB 3.71Å; C174-C189 WeakPolarHBondContact CB-SG 3.2Å; C174-C189 WeakPolarHBondContact SG-CA 3.46Å; C174-C189 WeakPolarHBondContact SG-CB 3.48Å; C174-C189 CovalentContact SG-SG 2.04Å; C174-C189 PolarHBondContact SG-SG 3.2Å; T179-C189 WeakPolarHBondContact O-CA 3.24Å |
| 190 | E | 82.8 | Confident | 72.1 | Confident | 96 Ų | 96 | 79.7 Ų | 79.7 | 45% | 0.449 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 119.7 | 170 | -165 | 136.6 | -90.6 | 0 | 0 | 108.6 | G178 T179 F181 K188 | G178-E190 CarbonylContact C-O 3.3Å; G178-E190 WeakPolarHBondContact CA-O 3.39Å; T179-E190 PolarHBondContact N-O 3.06Å; T179-E190 PolarHBondContact O-N 3.16Å; F181-E190 HydrophobicContact CD2-CB 4.22Å; F181-E190 HydrophobicContact CE2-CB 3.83Å; F181-E190 WeakPolarHBondContact CE2-OE2 3.25Å; K188-E190 IonicContact NZ-OE1 2.83Å; K188-E190 PolarHBondContact NZ-OE1 3.22Å |
| 191 | C | 80.8 | Confident | 71.9 | Confident | 40 Ų | 40 | 82.4 Ų | 82.4 | 27% | 0.27 | 41% | 0.411 | S | S | . | . | trans | -101.5 | 154.4 | -167.7 | -50.5 | 0 | 0 | 0 | 0 | 111.9 | Y195 C200 | C191-Y195 WeakPolarHBondContact CB-O 3.44Å; C191-C200 WeakPolarHBondContact CA-SG 3.36Å; C191-C200 HydrophobicContact CB-CB 3.73Å; C191-C200 WeakPolarHBondContact CB-SG 3.38Å; C191-C200 WeakPolarHBondContact SG-CA 3.4Å; C191-C200 WeakPolarHBondContact SG-CB 3.48Å; C191-C200 CovalentContact SG-SG 2.04Å; C191-C200 PolarHBondContact SG-SG 3.19Å | ||
| 192 | T | 75.1 | Confident | 71.5 | Confident | 69 Ų | 69 | 82.2 Ų | 82.2 | 42% | 0.423 | 41% | 0.413 | S | S | . | . | trans | -73.5 | 153.5 | 170.2 | 48.8 | 0 | 0 | 0 | 0 | 111.1 | E194 Y195 | T192-E194 PolarHBondContact O-N 3.11Å; T192-Y195 PolarHBondContact O-N 2.87Å; T192-Y195 VanDerWaalsContact O-O 3.05Å | ||
| 193 | D | 73.1 | Confident | 71.3 | Confident | 177 Ų | 177 | 83.1 Ų | 83.1 | 95% | 0.947 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19.4 | -164.4 | -61.7 | -67.2 | 0 | 0 | 0 | 116.2 | ||
| 194 | E | 65.8 | Low | 71.6 | Confident | 142 Ų | 142 | 87.9 Ų | 87.9 | 66% | 0.664 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -14.2 | 176.7 | -61.5 | -176.2 | 166.6 | 0 | 0 | 113.8 | T192 | T192-E194 PolarHBondContact O-N 3.11Š|
| 195 | Y | 73.4 | Confident | 71.7 | Confident | 92 Ų | 92 | 86 Ų | 86 | 36% | 0.361 | 44% | 0.444 | S | S | . | . | trans | -126.7 | 142.2 | -171.6 | -63.7 | -91.3 | 0 | 0 | 0 | 112.6 | N176 C191 T192 I202 | N176-Y195 HydrophobicContact CB-CD1 4.49Å; N176-Y195 HydrophobicContact CB-CG 4.45Å; C191-Y195 WeakPolarHBondContact CB-O 3.44Å; T192-Y195 PolarHBondContact O-N 2.87Å; T192-Y195 VanDerWaalsContact O-O 3.05Å; Y195-I202 CarbonylContact C-O 3.5Å | ||
| 196 | S | 67.9 | Low | 71.1 | Confident | 39 Ų | 39 | 90 Ų | 90 | 27% | 0.273 | 47% | 0.467 | S | S | . | . | B | Isolated β-bridge | trans | -140.8 | 175.7 | -176.3 | 66.1 | 0 | 0 | 0 | 0 | 111.6 | C200 Q201 I202 | S196-C200 CarbonylContact O-C 3.27Å; S196-Q201 PolarHBondContact O-N 3.06Å; S196-I202 PolarHBondContact N-O 3.03Å; S196-I202 WeakPolarHBondContact O-CB 3.35Å; S196-I202 PolarHBondContact O-N 3.26Å; S196-I202 PolarHBondContact OG-O 2.94Å |
| 197 | G | 71.3 | Confident | 70 | Confident | 37 Ų | 37 | 91.1 Ų | 91.1 | 38% | 0.381 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | 169.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113 | D199 C200 | G197-D199 VanDerWaalsContact C-N 3.28Å; G197-D199 PolarHBondContact O-N 3.36Å; G197-C200 PolarHBondContact O-N 2.99Å |
| 198 | K | 75.9 | Confident | 68.1 | Low | 137 Ų | 137 | 97 Ų | 97 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -33.8 | -166.8 | 178.2 | -178.5 | 153.4 | -75.9 | 0 | 114.1 | Y187 Q201 | Y187-K198 PolarHBondContact OH-NZ 2.05Å; K198-Q201 VanDerWaalsContact N-OE1 3.11Å |
| 199 | D | 79.7 | Confident | 66.9 | Low | 24 Ų | 24 | 97.7 Ų | 97.7 | 13% | 0.128 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | 18.9 | -173.1 | -45.3 | -78.6 | 0 | 0 | 0 | 110.6 | Q175 Y187 G197 Q201 | Q175-D199 WeakPolarHBondContact CB-O 3.27Å; Q175-D199 PolarHBondContact N-O 3.01Å; Y187-D199 VanDerWaalsContact CE2-OD1 3.28Å; Y187-D199 WeakPolarHBondContact CE2-OD1 3.34Å; Y187-D199 PolarHBondContact OH-OD1 2.93Å; G197-D199 VanDerWaalsContact C-N 3.28Å; G197-D199 PolarHBondContact O-N 3.36Å; D199-Q201 PolarHBondContact OD2-NE2 2.78Å |
| 200 | C | 80.9 | Confident | 65.1 | Low | 0 Ų | 0 | 102.5 Ų | 102.5 | 0% | 0 | 56% | 0.557 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 70 | 48.4 | 179.3 | -48.6 | 0 | 0 | 0 | 0 | 116.2 | N176 C191 S196 G197 | N176-C200 PolarHBondContact ND2-O 3.13Å; C191-C200 WeakPolarHBondContact CA-SG 3.36Å; C191-C200 HydrophobicContact CB-CB 3.73Å; C191-C200 WeakPolarHBondContact CB-SG 3.38Å; C191-C200 WeakPolarHBondContact SG-CA 3.4Å; C191-C200 WeakPolarHBondContact SG-CB 3.48Å; C191-C200 CovalentContact SG-SG 2.04Å; C191-C200 PolarHBondContact SG-SG 3.19Å; S196-C200 CarbonylContact O-C 3.27Å; G197-C200 PolarHBondContact O-N 2.99Å |
| 201 | Q | 76.6 | Confident | 62.9 | Low | 94 Ų | 94 | 103 Ų | 103 | 44% | 0.439 | 58% | 0.577 | S | S | . | * | trans | -115.2 | 4.5 | -167.5 | 72.7 | -89 | 66.3 | 0 | 0 | 118.2 | S196 K198 D199 | S196-Q201 PolarHBondContact O-N 3.06Å; K198-Q201 VanDerWaalsContact N-OE1 3.11Å; D199-Q201 PolarHBondContact OD2-NE2 2.78Å | ||
| 202 | I | 66.4 | Low | 61.5 | Low | 93 Ų | 93 | 110.4 Ų | 110.4 | 48% | 0.477 | 61% | 0.608 | S | S | . | * | B | Isolated β-bridge | trans | -130.4 | 125 | -171.4 | -46 | -179.6 | 0 | 0 | 0 | 112.3 | Y195 S196 | Y195-I202 CarbonylContact C-O 3.5Å; S196-I202 PolarHBondContact N-O 3.03Å; S196-I202 WeakPolarHBondContact O-CB 3.35Å; S196-I202 PolarHBondContact O-N 3.26Å; S196-I202 PolarHBondContact OG-O 2.94Å |
| 203 | S | 63.1 | Low | 60.6 | Low | 86 Ų | 86 | 112.8 Ų | 112.8 | 60% | 0.601 | 62% | 0.617 | S | S | * | * | trans | -92.2 | 159.3 | 171.8 | -167.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 204 | R | 61.3 | Low | 60 | Low | 219 Ų | 219 | 106.4 Ų | 106.4 | 83% | 0.826 | 59% | 0.594 | S | S | * | * | trans | -125.6 | 58.9 | -151.8 | -158.2 | 179.6 | -174.3 | -177.5 | 1.1 | 115.3 | ||||
| 205 | S | 55.7 | Low | 60.1 | Low | 112 Ų | 112 | 100.4 Ų | 100.4 | 78% | 0.783 | 57% | 0.567 | S | S | * | * | trans | -142.1 | 78.9 | -172.5 | -61 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 206 | S | 46.8 | Very low | 59.9 | Low | 116 Ų | 116 | 97.4 Ų | 97.4 | 81% | 0.811 | 56% | 0.564 | S | S | * | * | trans | -179.9 | 121.5 | 155.6 | 47.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 207 | L | 36.7 | Very low | 60.3 | Low | 168 Ų | 168 | 100.5 Ų | 100.5 | 88% | 0.88 | 58% | 0.583 | S | S | * | * | trans | 175.5 | 136.4 | 152.2 | -105.8 | 154.8 | 0 | 0 | 0 | 113.3 | ||||
| 208 | H | 36.3 | Very low | 60.6 | Low | 186 Ų | 186 | 99.5 Ų | 99.5 | 86% | 0.861 | 57% | 0.57 | S | S | * | * | trans | -158.9 | 160.9 | 163.2 | -103.7 | -36.5 | 0 | 0 | 0 | 111.9 | ||||
| 209 | P | 53.6 | Low | 60.6 | Low | 114 Ų | 114 | 95.8 Ų | 95.8 | 74% | 0.74 | 56% | 0.56 | S | S | * | * | trans | -102.6 | -157.2 | -171.3 | 45.9 | -39.9 | 0 | 0 | 0 | 112.4 | ||||
| 210 | S | 43.2 | Very low | 60.5 | Low | 112 Ų | 112 | 101.9 Ų | 101.9 | 78% | 0.783 | 59% | 0.587 | S | S | * | * | cis | -164 | 156.7 | 10.4 | 46.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 211 | A | 37.3 | Very low | 60.4 | Low | 106 Ų | 106 | 102.7 Ų | 102.7 | 88% | 0.876 | 59% | 0.592 | S | S | * | * | trans | -156.7 | 166.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 212 | E | 52.1 | Low | 60.2 | Low | 195 Ų | 195 | 106.6 Ų | 106.6 | 91% | 0.911 | 61% | 0.607 | S | S | * | * | trans | -94.8 | 149.4 | -169.9 | -56.7 | 174.7 | 125.8 | 0 | 0 | 114.6 | ||||
| 213 | L | 56.6 | Low | 60.9 | Low | 120 Ų | 120 | 106.8 Ų | 106.8 | 63% | 0.628 | 61% | 0.606 | S | S | * | * | trans | -154.9 | 155.5 | 175.1 | -151.9 | 68.2 | 0 | 0 | 0 | 113.3 | ||||
| 214 | G | 59.3 | Low | 61.7 | Low | 43 Ų | 43 | 102.8 Ų | 102.8 | 44% | 0.443 | 58% | 0.579 | S | S | . | * | trans | -137.1 | 157.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 215 | C | 68.3 | Low | 62.6 | Low | 16 Ų | 16 | 98.4 Ų | 98.4 | 11% | 0.108 | 57% | 0.568 | C | S | . | * | trans | -90.5 | -2.8 | -150.7 | -43.2 | 0 | 0 | 0 | 0 | 118.6 | T231 C256 G257 G260 E261 W262 | C215-T231 PolarHBondContact N-O 2.82Å; C215-C256 HydrophobicContact CB-CB 3.77Å; C215-C256 WeakPolarHBondContact CB-SG 3.34Å; C215-C256 VanDerWaalsContact SG-C 3.57Å; C215-C256 WeakPolarHBondContact SG-CA 3.32Å; C215-C256 WeakPolarHBondContact SG-CB 3.39Å; C215-C256 CovalentContact SG-SG 2.02Å; C215-C256 PolarHBondContact SG-SG 3.27Å; C215-G257 PolarHBondContact SG-N 2.97Å; C215-G257 PolarHBondContact SG-O 2.99Å; C215-G257 VanDerWaalsContact SG-O 3.39Å; C215-G260 WeakPolarHBondContact CA-O 3.38Å; C215-G260 VanDerWaalsContact SG-C 3.53Å; C215-E261 VanDerWaalsContact SG-C 3.54Å; C215-E261 PolarHBondContact SG-N 2.95Å; C215-E261 VanDerWaalsContact SG-N 3.42Å; C215-E261 PolarHBondContact SG-O 2.99Å; C215-E261 VanDerWaalsContact SG-O 3.35Å; C215-W262 HydrophobicContact CB-CD2 4.41Å; C215-W262 HydrophobicContact CB-CG 4.17Å; C215-W262 PolarHBondContact O-NE1 2.94Å | ||
| 216 | G | 69.6 | Low | 63.9 | Low | 29 Ų | 29 | 95 Ų | 95 | 30% | 0.299 | 54% | 0.542 | S | S | . | . | trans | 63 | -167.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T231 W262 | G216-T231 VanDerWaalsContact O-CB 3.22Å; G216-T231 WeakPolarHBondContact O-CB 3.49Å; G216-T231 WeakPolarHBondContact O-CG2 3.27Å; G216-W262 PolarHBondContact O-NE1 2.82Å | ||
| 217 | P | 75.2 | Confident | 65.5 | Low | 103 Ų | 103 | 95.9 Ų | 95.9 | 67% | 0.669 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -73 | 149.1 | -178.4 | 30 | -34.6 | 0 | 0 | 0 | 112.8 | F228 | P217-F228 HydrophobicContact CB-CZ 4.33Š|
| 218 | P | 77.6 | Confident | 67.7 | Low | 16 Ų | 16 | 92.4 Ų | 92.4 | 10% | 0.104 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 149.7 | -179 | -16.9 | 28.9 | 0 | 0 | 0 | 114.2 | V226 F228 A237 Y239 W262 | P218-V226 HydrophobicContact CB-CG2 4.38Å; P218-F228 VanDerWaalsContact CD-CZ 3.44Å; P218-F228 HydrophobicContact CG-CB 4.08Å; P218-F228 HydrophobicContact CG-CD1 3.65Å; P218-F228 HydrophobicContact CG-CD2 3.92Å; P218-F228 HydrophobicContact CG-CE1 4.03Å; P218-F228 HydrophobicContact CG-CE2 4.27Å; P218-F228 HydrophobicContact CG-CG 3.6Å; P218-F228 HydrophobicContact CG-CZ 4.33Å; P218-A237 HydrophobicContact CB-CB 3.8Å; P218-A237 HydrophobicContact CG-CB 3.49Å; P218-A237 VanDerWaalsContact CG-CB 3.49Å; P218-Y239 VanDerWaalsContact CB-OH 3.29Å; P218-Y239 WeakPolarHBondContact CB-OH 3.39Å; P218-W262 HydrophobicContact CB-CD2 4.37Å; P218-W262 HydrophobicContact CG-CD2 4.38Å; P218-W262 HydrophobicContact CG-CH2 3.98Å; P218-W262 HydrophobicContact CG-CZ2 3.68Å; P218-W262 HydrophobicContact CG-CZ3 4.42Å |
| 219 | P | 75.9 | Confident | 69.3 | Low | 59 Ų | 59 | 89.4 Ų | 89.4 | 38% | 0.383 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 133.5 | -179.8 | 29.3 | -36.2 | 0 | 0 | 0 | 113.6 | Y239 P265 | P219-Y239 WeakPolarHBondContact O-CE1 3.31Å; P219-Y239 PolarHBondContact O-OH 3.35Å; P219-P265 HydrophobicContact CG-CB 4.45Å; P219-P265 HydrophobicContact CG-CG 3.93Å |
| 220 | H | 78.2 | Confident | 70.3 | Confident | 153 Ų | 153 | 86 Ų | 86 | 71% | 0.708 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -74 | 128.4 | -179.1 | -156.5 | -49.4 | 0 | 0 | 0 | 112.7 | A224 | H220-A224 PolarHBondContact CE1-O 3.05Š|
| 221 | V | 79.7 | Confident | 71.8 | Confident | 17 Ų | 17 | 83.3 Ų | 83.3 | 10% | 0.103 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -93.2 | 147.2 | 175.3 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | A224 Y239 P265 P266 | V221-A224 HydrophobicContact CB-CB 3.92Å; V221-A224 HydrophobicContact CG1-CB 3.79Å; V221-Y239 HydrophobicContact CB-CD1 4.17Å; V221-Y239 HydrophobicContact CB-CE1 4.46Å; V221-Y239 HydrophobicContact CG2-CD1 3.76Å; V221-Y239 HydrophobicContact CG2-CE1 3.77Å; V221-P265 HydrophobicContact CG2-CB 3.73Å; V221-P265 HydrophobicContact CG2-CG 4Å; V221-P266 WeakPolarHBondContact CG1-O 3.45Å; V221-P266 WeakPolarHBondContact CG2-O 3.2Å |
| 222 | K | 72.4 | Confident | 73.7 | Confident | 175 Ų | 175 | 82.1 Ų | 82.1 | 76% | 0.761 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 140.8 | 175 | -69.2 | -172.4 | 177.9 | -178.1 | 0 | 111.2 | A224 | K222-A224 PolarHBondContact O-N 3.01Š|
| 223 | H | 79.4 | Confident | 74.7 | Confident | 97 Ų | 97 | 75.6 Ų | 75.6 | 45% | 0.449 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 34 | -173.4 | -49.6 | -85.5 | 0 | 0 | 0 | 113.1 | C241 H242 F245 | H223-C241 WeakPolarHBondContact O-CA 3.48Å; H223-H242 PolarHBondContact O-CD2 3.44Å; H223-H242 VanDerWaalsContact O-CD2 3.26Å; H223-H242 PolarHBondContact O-N 3.06Å; H223-F245 HydrophobicContact CB-CD1 4.14Å; H223-F245 HydrophobicContact CB-CD2 4.36Å; H223-F245 HydrophobicContact CB-CE1 4.3Å; H223-F245 HydrophobicContact CB-CG 4.21Å; H223-F245 HydrophobicContact CB-CZ 4.49Å; H223-F245 AromaticContact CG-CE1 3.99Å; H223-F245 AromaticContact ND1-CZ 3.9Å |
| 224 | A | 80.4 | Confident | 75.5 | Confident | 3 Ų | 3 | 72.5 Ų | 72.5 | 3% | 0.025 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 151 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | H220 V221 K222 V240 H242 | H220-A224 PolarHBondContact CE1-O 3.05Å; V221-A224 HydrophobicContact CB-CB 3.92Å; V221-A224 HydrophobicContact CG1-CB 3.79Å; K222-A224 PolarHBondContact O-N 3.01Å; A224-V240 CarbonylContact C-O 3.58Å; A224-V240 WeakPolarHBondContact CA-O 3.45Å; A224-H242 PolarHBondContact N-CD2 3.32Å; A224-H242 PolarHBondContact N-NE2 2.88Å |
| 225 | E | 80.9 | Confident | 76.4 | Confident | 127 Ų | 127 | 71.2 Ų | 71.2 | 59% | 0.593 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 149.5 | 166 | -62.6 | -176.7 | 173.2 | 0 | 0 | 109.9 | Y239 V240 | E225-Y239 CarbonylContact O-C 3.56Å; E225-Y239 VanDerWaalsContact O-CA 3.31Å; E225-Y239 WeakPolarHBondContact O-CA 3.49Å; E225-V240 PolarHBondContact N-O 2.82Å; E225-V240 PolarHBondContact O-N 2.91Å |
| 226 | V | 82.1 | Confident | 77 | Confident | 39 Ų | 39 | 73.4 Ų | 73.4 | 24% | 0.236 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 138.5 | -177.3 | 62 | 0 | 0 | 0 | 0 | 111.9 | P218 A237 A238 Y239 | P218-V226 HydrophobicContact CB-CG2 4.38Å; V226-A237 HydrophobicContact CG2-CB 4.29Å; V226-A238 CarbonylContact C-O 3.55Å; V226-A238 WeakPolarHBondContact CA-O 3.38Å; V226-Y239 HydrophobicContact CB-CD1 3.74Å; V226-Y239 HydrophobicContact CB-CE1 3.67Å; V226-Y239 HydrophobicContact CB-CG 4.48Å; V226-Y239 HydrophobicContact CG2-CD1 3.77Å; V226-Y239 HydrophobicContact CG2-CD2 4.39Å; V226-Y239 HydrophobicContact CG2-CE1 3.39Å; V226-Y239 HydrophobicContact CG2-CE2 4.05Å; V226-Y239 HydrophobicContact CG2-CG 4.25Å |
| 227 | Q | 81.3 | Confident | 77.4 | Confident | 136 Ų | 136 | 72 Ų | 72 | 64% | 0.636 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 128.7 | -179.4 | -62.1 | -179 | 0.3 | 0 | 0 | 110.5 | A237 A238 | Q227-A237 WeakPolarHBondContact O-CA 3.46Å; Q227-A238 PolarHBondContact N-O 2.89Å; Q227-A238 PolarHBondContact O-N 2.72Å |
| 228 | F | 81.7 | Confident | 77.8 | Confident | 95 Ų | 95 | 68.7 Ų | 68.7 | 42% | 0.417 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 163 | -179.8 | 72.2 | -77.2 | 0 | 0 | 0 | 110.4 | P217 P218 T231 A237 | P217-F228 HydrophobicContact CB-CZ 4.33Å; P218-F228 VanDerWaalsContact CD-CZ 3.44Å; P218-F228 HydrophobicContact CG-CB 4.08Å; P218-F228 HydrophobicContact CG-CD1 3.65Å; P218-F228 HydrophobicContact CG-CD2 3.92Å; P218-F228 HydrophobicContact CG-CE1 4.03Å; P218-F228 HydrophobicContact CG-CE2 4.27Å; P218-F228 HydrophobicContact CG-CG 3.6Å; P218-F228 HydrophobicContact CG-CZ 4.33Å; F228-T231 HydrophobicContact CD2-CG2 4.36Å; F228-T231 HydrophobicContact CE2-CG2 3.85Å; F228-A237 HydrophobicContact CB-CB 3.77Å |
| 229 | S | 70.1 | Confident | 78.1 | Confident | 122 Ų | 122 | 68.1 Ų | 68.1 | 85% | 0.853 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -126.2 | -16.8 | -176.7 | 57.4 | 0 | 0 | 0 | 0 | 115.6 | ||
| 230 | S | 74.6 | Confident | 78.3 | Confident | 44 Ų | 44 | 69.7 Ų | 69.7 | 31% | 0.308 | 39% | 0.391 | S | S | . | . | trans | -150.5 | 165.9 | 177.3 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | T232 S235 | S230-T232 PolarHBondContact OG-N 2.99Å; S230-T232 PolarHBondContact OG-OG1 2.81Å; S230-T232 VanDerWaalsContact OG-OG1 3.04Å; S230-S235 VanDerWaalsContact CB-OG 3.32Å; S230-S235 WeakPolarHBondContact CB-OG 3.48Å; S230-S235 VanDerWaalsContact O-CB 3.24Å; S230-S235 WeakPolarHBondContact O-CB 3.26Å; S230-S235 PolarHBondContact O-OG 3.11Å; S230-S235 PolarHBondContact OG-OG 2.76Å | ||
| 231 | T | 75.6 | Confident | 78.5 | Confident | 54 Ų | 54 | 63.8 Ų | 63.8 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | trans | -124.6 | 7.7 | -178.2 | 58.7 | 0 | 0 | 0 | 0 | 113.3 | C215 G216 F228 C256 | C215-T231 PolarHBondContact N-O 2.82Å; G216-T231 VanDerWaalsContact O-CB 3.22Å; G216-T231 WeakPolarHBondContact O-CB 3.49Å; G216-T231 WeakPolarHBondContact O-CG2 3.27Å; F228-T231 HydrophobicContact CD2-CG2 4.36Å; F228-T231 HydrophobicContact CE2-CG2 3.85Å; T231-C256 PolarHBondContact O-SG 2.51Å; T231-C256 VanDerWaalsContact O-SG 3.39Å | ||
| 232 | T | 76.5 | Confident | 78.6 | Confident | 81 Ų | 81 | 66.8 Ų | 66.8 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -75.7 | 153.5 | 174.8 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | S230 G234 S235 C256 | S230-T232 PolarHBondContact OG-N 2.99Å; S230-T232 PolarHBondContact OG-OG1 2.81Å; S230-T232 VanDerWaalsContact OG-OG1 3.04Å; T232-G234 PolarHBondContact O-N 2.92Å; T232-S235 PolarHBondContact N-OG 2.81Å; T232-S235 WeakPolarHBondContact O-CB 3.49Å; T232-S235 PolarHBondContact O-N 2.87Å; T232-S235 PolarHBondContact O-OG 3.42Å; T232-S235 PolarHBondContact OG1-OG 2.89Å; T232-C256 PolarHBondContact O-SG 3.28Å; T232-C256 VanDerWaalsContact O-SG 3.36Å |
| 233 | P | 73.4 | Confident | 78.7 | Confident | 59 Ų | 59 | 64.1 Ų | 64.1 | 38% | 0.383 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | 133.3 | 172.4 | -30.8 | 37.8 | 0 | 0 | 0 | 112.8 | C256 T258 | P233-C256 VanDerWaalsContact CA-SG 3.52Å; P233-C256 VanDerWaalsContact N-SG 3.43Å; P233-T258 HydrophobicContact CB-CG2 4.21Å |
| 234 | G | 73.2 | Confident | 78.3 | Confident | 55 Ų | 55 | 60.2 Ų | 60.2 | 57% | 0.567 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | -9.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | T232 C256 | T232-G234 PolarHBondContact O-N 2.92Å; G234-C256 PolarHBondContact N-O 2.94Å |
| 235 | S | 77.7 | Confident | 78.2 | Confident | 16 Ų | 16 | 61.8 Ų | 61.8 | 11% | 0.112 | 37% | 0.374 | C | S | . | . | trans | -66.7 | 147.9 | 175.3 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | S230 T232 I255 C256 W262 | S230-S235 VanDerWaalsContact CB-OG 3.32Å; S230-S235 WeakPolarHBondContact CB-OG 3.48Å; S230-S235 VanDerWaalsContact O-CB 3.24Å; S230-S235 WeakPolarHBondContact O-CB 3.26Å; S230-S235 PolarHBondContact O-OG 3.11Å; S230-S235 PolarHBondContact OG-OG 2.76Å; T232-S235 PolarHBondContact N-OG 2.81Å; T232-S235 WeakPolarHBondContact O-CB 3.49Å; T232-S235 PolarHBondContact O-N 2.87Å; T232-S235 PolarHBondContact O-OG 3.42Å; T232-S235 PolarHBondContact OG1-OG 2.89Å; S235-I255 CarbonylContact O-C 3.56Å; S235-I255 WeakPolarHBondContact O-CA 3.1Å; S235-C256 PolarHBondContact O-N 3.07Å; S235-W262 VanDerWaalsContact O-CZ3 3.32Å; S235-W262 WeakPolarHBondContact O-CZ3 3.29Å | ||
| 236 | V | 80.6 | Confident | 78.1 | Confident | 62 Ų | 62 | 59 Ų | 59 | 38% | 0.376 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 137.5 | -178.8 | -171.9 | 0 | 0 | 0 | 0 | 110.9 | Q253 S254 I255 | V236-Q253 HydrophobicContact CG1-CB 3.92Å; V236-Q253 HydrophobicContact CG1-CG 4.23Å; V236-S254 CarbonylContact C-O 3.58Å; V236-S254 WeakPolarHBondContact CA-O 3.33Å; V236-I255 HydrophobicContact CG2-CG1 4.21Å; V236-I255 HydrophobicContact CG2-CG2 4.44Å |
| 237 | A | 79.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | P218 V226 Q227 F228 Y239 Q253 S254 W262 | P218-A237 HydrophobicContact CB-CB 3.8Å; P218-A237 HydrophobicContact CG-CB 3.49Å; P218-A237 VanDerWaalsContact CG-CB 3.49Å; V226-A237 HydrophobicContact CG2-CB 4.29Å; Q227-A237 WeakPolarHBondContact O-CA 3.46Å; F228-A237 HydrophobicContact CB-CB 3.77Å; A237-Y239 HydrophobicContact CB-CE2 4.12Å; A237-Y239 WeakPolarHBondContact O-CE2 3.32Å; A237-Q253 CarbonylContact O-C 3.57Å; A237-Q253 WeakPolarHBondContact O-CA 3.38Å; A237-S254 PolarHBondContact N-O 3.13Å; A237-S254 PolarHBondContact O-N 3.33Å; A237-W262 HydrophobicContact CB-CE3 4.32Å; A237-W262 HydrophobicContact CB-CH2 4.16Å; A237-W262 HydrophobicContact CB-CZ3 3.78Å |
| 238 | A | 83.6 | Confident | 77.1 | Confident | 33 Ų | 33 | 55.6 Ų | 55.6 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 141.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V226 Q227 T252 Q253 | V226-A238 CarbonylContact C-O 3.55Å; V226-A238 WeakPolarHBondContact CA-O 3.38Å; Q227-A238 PolarHBondContact N-O 2.89Å; Q227-A238 PolarHBondContact O-N 2.72Å; A238-T252 CarbonylContact C-O 3.51Å; A238-T252 WeakPolarHBondContact CA-O 3.4Å; A238-Q253 HydrophobicContact CB-CG 4.27Å |
| 239 | Y | 82.5 | Confident | 76.3 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.7 | -175.3 | -62.7 | -99 | 0 | 0 | 0 | 110.9 | P218 P219 V221 E225 V226 A237 T252 P265 P266 | P218-Y239 VanDerWaalsContact CB-OH 3.29Å; P218-Y239 WeakPolarHBondContact CB-OH 3.39Å; P219-Y239 WeakPolarHBondContact O-CE1 3.31Å; P219-Y239 PolarHBondContact O-OH 3.35Å; V221-Y239 HydrophobicContact CB-CD1 4.17Å; V221-Y239 HydrophobicContact CB-CE1 4.46Å; V221-Y239 HydrophobicContact CG2-CD1 3.76Å; V221-Y239 HydrophobicContact CG2-CE1 3.77Å; E225-Y239 CarbonylContact O-C 3.56Å; E225-Y239 VanDerWaalsContact O-CA 3.31Å; E225-Y239 WeakPolarHBondContact O-CA 3.49Å; V226-Y239 HydrophobicContact CB-CD1 3.74Å; V226-Y239 HydrophobicContact CB-CE1 3.67Å; V226-Y239 HydrophobicContact CB-CG 4.48Å; V226-Y239 HydrophobicContact CG2-CD1 3.77Å; V226-Y239 HydrophobicContact CG2-CD2 4.39Å; V226-Y239 HydrophobicContact CG2-CE1 3.39Å; V226-Y239 HydrophobicContact CG2-CE2 4.05Å; V226-Y239 HydrophobicContact CG2-CG 4.25Å; A237-Y239 HydrophobicContact CB-CE2 4.12Å; A237-Y239 WeakPolarHBondContact O-CE2 3.32Å; Y239-T252 PolarHBondContact N-O 3.36Å; Y239-T252 WeakPolarHBondContact O-CB 3.45Å; Y239-P265 HydrophobicContact CE1-CB 4.16Å; Y239-P265 HydrophobicContact CE2-CB 4.1Å; Y239-P266 HydrophobicContact CD2-CG 4.15Å; Y239-P266 HydrophobicContact CG-CG 4.03Å |
| 240 | V | 81.3 | Confident | 75.8 | Confident | 92 Ų | 92 | 60.5 Ų | 60.5 | 56% | 0.558 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 117 | -180 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | A224 E225 | A224-V240 CarbonylContact C-O 3.58Å; A224-V240 WeakPolarHBondContact CA-O 3.45Å; E225-V240 PolarHBondContact N-O 2.82Å; E225-V240 PolarHBondContact O-N 2.91Å |
| 241 | C | 82.6 | Confident | 75.2 | Confident | 28 Ų | 28 | 61.4 Ų | 61.4 | 19% | 0.189 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 147.2 | 177.2 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | H223 F245 C268 | H223-C241 WeakPolarHBondContact O-CA 3.48Å; C241-F245 HydrophobicContact CB-CB 4.18Å; C241-C268 WeakPolarHBondContact CA-SG 3.41Å; C241-C268 HydrophobicContact CB-CB 3.79Å; C241-C268 WeakPolarHBondContact CB-SG 3.06Å; C241-C268 WeakPolarHBondContact SG-CB 3.5Å; C241-C268 CovalentContact SG-SG 2.04Å; C241-C268 PolarHBondContact SG-SG 2.89Å |
| 242 | H | 81.3 | Confident | 74.9 | Confident | 81 Ų | 81 | 61.5 Ų | 61.5 | 38% | 0.375 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 160.2 | 174.4 | -61.4 | -167.3 | 0 | 0 | 0 | 111.1 | H223 A224 G244 F245 | H223-H242 PolarHBondContact O-CD2 3.44Å; H223-H242 VanDerWaalsContact O-CD2 3.26Å; H223-H242 PolarHBondContact O-N 3.06Å; A224-H242 PolarHBondContact N-CD2 3.32Å; A224-H242 PolarHBondContact N-NE2 2.88Å; H242-G244 PolarHBondContact O-N 2.81Å; H242-F245 WeakPolarHBondContact O-CB 3.11Å; H242-F245 PolarHBondContact O-N 3.16Å |
| 243 | S | 74.6 | Confident | 74.9 | Confident | 119 Ų | 119 | 63.1 Ų | 63.1 | 83% | 0.832 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 136.2 | 178.9 | 45.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 244 | G | 70.5 | Confident | 75.2 | Confident | 14 Ų | 14 | 60.3 Ų | 60.3 | 14% | 0.144 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | H242 I271 | H242-G244 PolarHBondContact O-N 2.81Å; G244-I271 PolarHBondContact O-N 3.33Å |
| 245 | F | 78.1 | Confident | 75.6 | Confident | 37 Ų | 37 | 61.6 Ų | 61.6 | 16% | 0.162 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 153 | 177.5 | -63 | -105.3 | 0 | 0 | 0 | 111.6 | H223 C241 H242 C268 K269 E270 I289 | H223-F245 HydrophobicContact CB-CD1 4.14Å; H223-F245 HydrophobicContact CB-CD2 4.36Å; H223-F245 HydrophobicContact CB-CE1 4.3Å; H223-F245 HydrophobicContact CB-CG 4.21Å; H223-F245 HydrophobicContact CB-CZ 4.49Å; H223-F245 AromaticContact CG-CE1 3.99Å; H223-F245 AromaticContact ND1-CZ 3.9Å; C241-F245 HydrophobicContact CB-CB 4.18Å; H242-F245 WeakPolarHBondContact O-CB 3.11Å; H242-F245 PolarHBondContact O-N 3.16Å; F245-C268 HydrophobicContact CB-CB 4.18Å; F245-K269 CarbonylContact C-O 3.57Å; F245-K269 VanDerWaalsContact CA-O 3.24Å; F245-K269 WeakPolarHBondContact CA-O 3.3Å; F245-E270 HydrophobicContact CD1-CB 4.36Å; F245-E270 VanDerWaalsContact CD1-N 3.35Å; F245-E270 HydrophobicContact CE1-CB 4.11Å; F245-I289 HydrophobicContact CE2-CG2 3.73Å; F245-I289 HydrophobicContact CZ-CG2 4.25Å |
| 246 | T | 79 | Confident | 75.6 | Confident | 68 Ų | 68 | 61 Ų | 61 | 42% | 0.417 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 147.9 | -179.3 | -168.5 | 0 | 0 | 0 | 0 | 111.6 | C268 K269 I271 | T246-C268 WeakPolarHBondContact O-CA 3.45Å; T246-K269 PolarHBondContact N-O 3.11Å; T246-K269 PolarHBondContact O-N 3.24Å; T246-I271 HydrophobicContact CG2-CG1 3.98Å |
| 247 | S | 71.6 | Confident | 75.3 | Confident | 20 Ų | 20 | 59.4 Ų | 59.4 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 128.8 | -175.6 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | P249 T252 | S247-P249 CarbonylContact C-O 3.55Å; S247-P249 VanDerWaalsContact C-O 3.31Å; S247-P249 CarbonylContact O-C 3.58Å; S247-T252 WeakPolarHBondContact OG-CG2 3.43Å |
| 248 | V | 71.9 | Confident | 74.8 | Confident | 83 Ų | 83 | 65.3 Ų | 65.3 | 50% | 0.503 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 119.3 | 172.7 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | V267 K269 | V248-V267 PolarHBondContact N-O 2.99Å; V248-V267 PolarHBondContact O-N 2.66Å; V248-K269 HydrophobicContact CG2-CB 4.49Å |
| 249 | P | 63.7 | Low | 74.1 | Confident | 88 Ų | 88 | 71.8 Ų | 71.8 | 57% | 0.571 | 40% | 0.404 | S | S | * | . | S | Bend | cis | -63.4 | 169.6 | -10.1 | 30.9 | -36.9 | 0 | 0 | 0 | 112.4 | S247 A251 | S247-P249 CarbonylContact C-O 3.55Å; S247-P249 VanDerWaalsContact C-O 3.31Å; S247-P249 CarbonylContact O-C 3.58Å; P249-A251 PolarHBondContact O-N 2.97Å |
| 250 | R | 60.3 | Low | 73.3 | Confident | 233 Ų | 233 | 72.2 Ų | 72.2 | 88% | 0.879 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -61 | -13 | 179.2 | -82 | -175.4 | 175.1 | 167.8 | -1.7 | 114.8 | T252 | R250-T252 PolarHBondContact O-N 2.99Å; R250-T252 VanDerWaalsContact O-N 3.08Å |
| 251 | A | 62.2 | Low | 72.8 | Confident | 62 Ų | 62 | 75.1 Ų | 75.1 | 51% | 0.512 | 42% | 0.416 | S | S | . | . | trans | -69.6 | 101.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | P249 Q253 | P249-A251 PolarHBondContact O-N 2.97Å; A251-Q253 PolarHBondContact O-N 2.84Å | ||
| 252 | T | 69.8 | Low | 72.6 | Confident | 57 Ų | 57 | 75.4 Ų | 75.4 | 35% | 0.35 | 41% | 0.414 | S | S | . | . | trans | -78.7 | 12.9 | 179.7 | 47.1 | 0 | 0 | 0 | 0 | 113.8 | A238 Y239 S247 R250 | A238-T252 CarbonylContact C-O 3.51Å; A238-T252 WeakPolarHBondContact CA-O 3.4Å; Y239-T252 PolarHBondContact N-O 3.36Å; Y239-T252 WeakPolarHBondContact O-CB 3.45Å; S247-T252 WeakPolarHBondContact OG-CG2 3.43Å; R250-T252 PolarHBondContact O-N 2.99Å; R250-T252 VanDerWaalsContact O-N 3.08Å | ||
| 253 | Q | 76.8 | Confident | 72.5 | Confident | 115 Ų | 115 | 75 Ų | 75 | 54% | 0.537 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 137.6 | -169.7 | -65.8 | 178.1 | 0.3 | 0 | 0 | 111 | V236 A237 A238 A251 | V236-Q253 HydrophobicContact CG1-CB 3.92Å; V236-Q253 HydrophobicContact CG1-CG 4.23Å; A237-Q253 CarbonylContact O-C 3.57Å; A237-Q253 WeakPolarHBondContact O-CA 3.38Å; A238-Q253 HydrophobicContact CB-CG 4.27Å; A251-Q253 PolarHBondContact O-N 2.84Å |
| 254 | S | 78.6 | Confident | 72.6 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 145 | 169.5 | 176.6 | 0 | 0 | 0 | 0 | 109.8 | V236 A237 T263 | V236-S254 CarbonylContact C-O 3.58Å; V236-S254 WeakPolarHBondContact CA-O 3.33Å; A237-S254 PolarHBondContact N-O 3.13Å; A237-S254 PolarHBondContact O-N 3.33Å; S254-T263 VanDerWaalsContact CA-OG1 3.32Å; S254-T263 WeakPolarHBondContact CA-OG1 3.33Å; S254-T263 PolarHBondContact OG-N 2.88Å; S254-T263 PolarHBondContact OG-O 3.22Å; S254-T263 PolarHBondContact OG-OG1 3.26Å |
| 255 | I | 81.3 | Confident | 72.8 | Confident | 82 Ų | 82 | 79.6 Ų | 79.6 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 138.8 | -177.1 | -47.3 | -176.5 | 0 | 0 | 0 | 109.1 | S235 V236 G257 W262 T263 | S235-I255 CarbonylContact O-C 3.56Å; S235-I255 WeakPolarHBondContact O-CA 3.1Å; V236-I255 HydrophobicContact CG2-CG1 4.21Å; V236-I255 HydrophobicContact CG2-CG2 4.44Å; I255-G257 PolarHBondContact O-N 2.74Å; I255-W262 VanDerWaalsContact C-CE3 3.49Å; I255-T263 PolarHBondContact N-OG1 2.8Å; I255-T263 PolarHBondContact O-N 2.03Å; I255-T263 PolarHBondContact O-OG1 3.07Å |
| 256 | C | 78.8 | Confident | 72.8 | Confident | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.014 | 42% | 0.418 | C | S | . | . | B | Isolated β-bridge | trans | -76 | 117.9 | 172 | 167.6 | 0 | 0 | 0 | 0 | 110.2 | C215 T231 T232 P233 G234 S235 W262 | C215-C256 HydrophobicContact CB-CB 3.77Å; C215-C256 WeakPolarHBondContact CB-SG 3.34Å; C215-C256 VanDerWaalsContact SG-C 3.57Å; C215-C256 WeakPolarHBondContact SG-CA 3.32Å; C215-C256 WeakPolarHBondContact SG-CB 3.39Å; C215-C256 CovalentContact SG-SG 2.02Å; C215-C256 PolarHBondContact SG-SG 3.27Å; T231-C256 PolarHBondContact O-SG 2.51Å; T231-C256 VanDerWaalsContact O-SG 3.39Å; T232-C256 PolarHBondContact O-SG 3.28Å; T232-C256 VanDerWaalsContact O-SG 3.36Å; P233-C256 VanDerWaalsContact CA-SG 3.52Å; P233-C256 VanDerWaalsContact N-SG 3.43Å; G234-C256 PolarHBondContact N-O 2.94Å; S235-C256 PolarHBondContact O-N 3.07Å; C256-W262 HydrophobicContact CB-CD2 4.04Å; C256-W262 HydrophobicContact CB-CE3 3.96Å; C256-W262 HydrophobicContact CB-CH2 3.91Å; C256-W262 HydrophobicContact CB-CZ2 3.99Å; C256-W262 HydrophobicContact CB-CZ3 3.89Å; C256-W262 VanDerWaalsContact N-CE3 3.34Å |
| 257 | G | 72.8 | Confident | 72.8 | Confident | 29 Ų | 29 | 79.4 Ų | 79.4 | 30% | 0.299 | 43% | 0.426 | S | S | . | . | trans | -80.9 | 161.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | C215 I255 Q259 G260 E261 | C215-G257 PolarHBondContact SG-N 2.97Å; C215-G257 PolarHBondContact SG-O 2.99Å; C215-G257 VanDerWaalsContact SG-O 3.39Å; I255-G257 PolarHBondContact O-N 2.74Å; G257-Q259 PolarHBondContact O-N 3.09Å; G257-Q259 VanDerWaalsContact O-N 3.14Å; G257-G260 PolarHBondContact O-N 3.4Å; G257-G260 VanDerWaalsContact O-N 3.09Å; G257-E261 PolarHBondContact N-O 2.87Å | ||
| 258 | T | 70 | Confident | 73.2 | Confident | 124 Ų | 124 | 79 Ų | 79 | 76% | 0.761 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -5.8 | 178.4 | 51.2 | 0 | 0 | 0 | 0 | 114.7 | P233 | P233-T258 HydrophobicContact CB-CG2 4.21Š|
| 259 | Q | 68.7 | Low | 73.4 | Confident | 170 Ų | 170 | 81.8 Ų | 81.8 | 79% | 0.794 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 1.7 | 172.5 | -65.8 | -174.8 | -13.2 | 0 | 0 | 113.3 | G257 | G257-Q259 PolarHBondContact O-N 3.09Å; G257-Q259 VanDerWaalsContact O-N 3.14Å |
| 260 | G | 64.9 | Low | 74 | Confident | 12 Ų | 12 | 80.9 Ų | 80.9 | 12% | 0.124 | 42% | 0.417 | C | S | . | . | S | Bend | trans | 82.2 | 26.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | C215 G257 | C215-G260 WeakPolarHBondContact CA-O 3.38Å; C215-G260 VanDerWaalsContact SG-C 3.53Å; G257-G260 PolarHBondContact O-N 3.4Å; G257-G260 VanDerWaalsContact O-N 3.09Å |
| 261 | E | 71.8 | Confident | 74.7 | Confident | 154 Ų | 154 | 73.1 Ų | 73.1 | 72% | 0.72 | 39% | 0.392 | S | S | * | . | trans | -127.8 | 149.8 | 170.4 | -67.4 | -165.6 | 152.1 | 0 | 0 | 112 | C215 G257 | C215-E261 VanDerWaalsContact SG-C 3.54Å; C215-E261 PolarHBondContact SG-N 2.95Å; C215-E261 VanDerWaalsContact SG-N 3.42Å; C215-E261 PolarHBondContact SG-O 2.99Å; C215-E261 VanDerWaalsContact SG-O 3.35Å; G257-E261 PolarHBondContact N-O 2.87Å | ||
| 262 | W | 78.5 | Confident | 75.4 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 13% | 0.129 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -80.4 | 139.8 | 170.4 | -70.5 | 93.5 | 0 | 0 | 0 | 110.9 | C215 G216 P218 S235 A237 I255 C256 | C215-W262 HydrophobicContact CB-CD2 4.41Å; C215-W262 HydrophobicContact CB-CG 4.17Å; C215-W262 PolarHBondContact O-NE1 2.94Å; G216-W262 PolarHBondContact O-NE1 2.82Å; P218-W262 HydrophobicContact CB-CD2 4.37Å; P218-W262 HydrophobicContact CG-CD2 4.38Å; P218-W262 HydrophobicContact CG-CH2 3.98Å; P218-W262 HydrophobicContact CG-CZ2 3.68Å; P218-W262 HydrophobicContact CG-CZ3 4.42Å; S235-W262 VanDerWaalsContact O-CZ3 3.32Å; S235-W262 WeakPolarHBondContact O-CZ3 3.29Å; A237-W262 HydrophobicContact CB-CE3 4.32Å; A237-W262 HydrophobicContact CB-CH2 4.16Å; A237-W262 HydrophobicContact CB-CZ3 3.78Å; I255-W262 VanDerWaalsContact C-CE3 3.49Å; C256-W262 HydrophobicContact CB-CD2 4.04Å; C256-W262 HydrophobicContact CB-CE3 3.96Å; C256-W262 HydrophobicContact CB-CH2 3.91Å; C256-W262 HydrophobicContact CB-CZ2 3.99Å; C256-W262 HydrophobicContact CB-CZ3 3.89Å; C256-W262 VanDerWaalsContact N-CE3 3.34Å |
| 263 | T | 79.3 | Confident | 75.8 | Confident | 73 Ų | 73 | 72.3 Ų | 72.3 | 45% | 0.448 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 156.8 | 169 | 54.4 | 0 | 0 | 0 | 0 | 111.9 | S254 I255 | S254-T263 VanDerWaalsContact CA-OG1 3.32Å; S254-T263 WeakPolarHBondContact CA-OG1 3.33Å; S254-T263 PolarHBondContact OG-N 2.88Å; S254-T263 PolarHBondContact OG-O 3.22Å; S254-T263 PolarHBondContact OG-OG1 3.26Å; I255-T263 PolarHBondContact N-OG1 2.8Å; I255-T263 PolarHBondContact O-N 2.03Å; I255-T263 PolarHBondContact O-OG1 3.07Å |
| 264 | Q | 76.6 | Confident | 75.9 | Confident | 187 Ų | 187 | 67.9 Ų | 67.9 | 87% | 0.874 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 124.1 | -177.5 | -65.2 | -176.5 | 4 | 0 | 0 | 111.6 | ||
| 265 | P | 74.4 | Confident | 76 | Confident | 42 Ų | 42 | 74.7 Ų | 74.7 | 27% | 0.273 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -73 | 155.7 | 178.8 | 33.8 | -38.6 | 0 | 0 | 0 | 111.1 | P219 V221 Y239 | P219-P265 HydrophobicContact CG-CB 4.45Å; P219-P265 HydrophobicContact CG-CG 3.93Å; V221-P265 HydrophobicContact CG2-CB 3.73Å; V221-P265 HydrophobicContact CG2-CG 4Å; Y239-P265 HydrophobicContact CE1-CB 4.16Å; Y239-P265 HydrophobicContact CE2-CB 4.1Å |
| 266 | P | 77 | Confident | 75.6 | Confident | 3 Ų | 3 | 75 Ų | 75 | 2% | 0.019 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 148.1 | 177.8 | 28.5 | -36.5 | 0 | 0 | 0 | 111.9 | V221 Y239 | V221-P266 WeakPolarHBondContact CG1-O 3.45Å; V221-P266 WeakPolarHBondContact CG2-O 3.2Å; Y239-P266 HydrophobicContact CD2-CG 4.15Å; Y239-P266 HydrophobicContact CG-CG 4.03Å |
| 267 | V | 79 | Confident | 75.6 | Confident | 97 Ų | 97 | 82.8 Ų | 82.8 | 59% | 0.588 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122 | 172 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | V248 K269 | V248-V267 PolarHBondContact N-O 2.99Å; V248-V267 PolarHBondContact O-N 2.66Å; V267-K269 PolarHBondContact O-N 2.62Å |
| 268 | C | 80 | Confident | 75.9 | Confident | 12 Ų | 12 | 81.7 Ų | 81.7 | 8% | 0.081 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 113 | 173.1 | -65.1 | 0 | 0 | 0 | 0 | 110.2 | C241 F245 T246 | C241-C268 WeakPolarHBondContact CA-SG 3.41Å; C241-C268 HydrophobicContact CB-CB 3.79Å; C241-C268 WeakPolarHBondContact CB-SG 3.06Å; C241-C268 WeakPolarHBondContact SG-CB 3.5Å; C241-C268 CovalentContact SG-SG 2.04Å; C241-C268 PolarHBondContact SG-SG 2.89Å; F245-C268 HydrophobicContact CB-CB 4.18Å; T246-C268 WeakPolarHBondContact O-CA 3.45Å |
| 269 | K | 76.4 | Confident | 76.5 | Confident | 141 Ų | 141 | 76.8 Ų | 76.8 | 61% | 0.613 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 142.4 | -179.9 | -172.4 | -179.9 | 176.9 | -177.7 | 0 | 110.5 | F245 T246 V248 V267 I271 | F245-K269 CarbonylContact C-O 3.57Å; F245-K269 VanDerWaalsContact CA-O 3.24Å; F245-K269 WeakPolarHBondContact CA-O 3.3Å; T246-K269 PolarHBondContact N-O 3.11Å; T246-K269 PolarHBondContact O-N 3.24Å; V248-K269 HydrophobicContact CG2-CB 4.49Å; V267-K269 PolarHBondContact O-N 2.62Å; K269-I271 PolarHBondContact O-N 2.62Å |
| 270 | E | 76.4 | Confident | 76.8 | Confident | 70 Ų | 70 | 72 Ų | 72 | 33% | 0.327 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 136.3 | 172.9 | -167.5 | -142.6 | -157.9 | 0 | 0 | 110.4 | F245 N287 I289 | F245-E270 HydrophobicContact CD1-CB 4.36Å; F245-E270 VanDerWaalsContact CD1-N 3.35Å; F245-E270 HydrophobicContact CE1-CB 4.11Å; E270-N287 PolarHBondContact OE1-ND2 2.9Å; E270-I289 HydrophobicContact CG-CG1 4.32Å |
| 271 | I | 75 | Confident | 77.1 | Confident | 70 Ų | 70 | 75 Ų | 75 | 36% | 0.359 | 39% | 0.39 | S | S | . | . | trans | -74.5 | 137 | 167.6 | -62.1 | 171.1 | 0 | 0 | 0 | 107.7 | G244 T246 K269 E273 N287 | G244-I271 PolarHBondContact O-N 3.33Å; T246-I271 HydrophobicContact CG2-CG1 3.98Å; K269-I271 PolarHBondContact O-N 2.62Å; I271-E273 VanDerWaalsContact O-OE2 3.07Å; I271-N287 PolarHBondContact O-ND2 2.82Å | ||
| 272 | N | 76.5 | Confident | 77 | Confident | 63 Ų | 63 | 70 Ų | 70 | 34% | 0.337 | 38% | 0.38 | S | S | . | . | trans | -108 | 90.9 | 173.4 | -170.3 | -62.8 | 0 | 0 | 0 | 109.4 | C274 L275 N287 | N272-C274 PolarHBondContact O-N 3.44Å; N272-C274 WeakPolarHBondContact OD1-CB 3.02Å; N272-C274 PolarHBondContact OD1-N 2.96Å; N272-L275 HydrophobicContact CB-CD1 3.99Å; N272-L275 HydrophobicContact CB-CG 4.04Å; N272-L275 WeakPolarHBondContact O-CB 3.44Å; N272-L275 PolarHBondContact O-N 2.92Å; N272-L275 VanDerWaalsContact O-N 3.14Å; N272-L275 PolarHBondContact OD1-N 3.11Å; N272-N287 VanDerWaalsContact C-OD1 3.28Å; N272-N287 WeakPolarHBondContact CA-OD1 3.26Å; N272-N287 PolarHBondContact OD1-OD1 3.32Å | ||
| 273 | E | 78.9 | Confident | 77.1 | Confident | 38 Ų | 38 | 69 Ų | 69 | 18% | 0.178 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -55.8 | -31.4 | 178.3 | -65.6 | 82.2 | 175.2 | 0 | 0 | 112.4 | I271 L275 S276 N287 G290 S291 Y292 | I271-E273 VanDerWaalsContact O-OE2 3.07Å; E273-L275 PolarHBondContact O-N 3.16Å; E273-S276 WeakPolarHBondContact O-CB 3.47Å; E273-S276 PolarHBondContact O-N 2.83Å; E273-S276 VanDerWaalsContact O-N 3.08Å; E273-S276 PolarHBondContact O-OG 3Å; E273-N287 PolarHBondContact N-OD1 2.91Å; E273-N287 PolarHBondContact OE2-ND2 3.47Å; E273-N287 PolarHBondContact OE2-OD1 2.88Å; E273-G290 WeakPolarHBondContact OE1-CA 3.4Å; E273-G290 PolarHBondContact OE1-N 2.83Å; E273-S291 PolarHBondContact OE1-N 2.95Å; E273-Y292 HydrophobicContact CB-CD1 4.11Å |
| 274 | C | 79.9 | Confident | 77.2 | Confident | 22 Ų | 22 | 69.2 Ų | 69.2 | 15% | 0.149 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -65.3 | -18.8 | 178.1 | -74.3 | 0 | 0 | 0 | 0 | 114.5 | N272 S276 Q277 C285 N287 | N272-C274 PolarHBondContact O-N 3.44Å; N272-C274 WeakPolarHBondContact OD1-CB 3.02Å; N272-C274 PolarHBondContact OD1-N 2.96Å; C274-S276 PolarHBondContact O-N 2.73Å; C274-Q277 PolarHBondContact O-N 3.27Å; C274-C285 WeakPolarHBondContact CA-SG 3.26Å; C274-C285 HydrophobicContact CB-CB 3.71Å; C274-C285 WeakPolarHBondContact CB-SG 3.02Å; C274-C285 WeakPolarHBondContact SG-CB 3.45Å; C274-C285 CovalentContact SG-SG 2.04Å; C274-C285 PolarHBondContact SG-SG 2.8Å; C274-N287 PolarHBondContact N-OD1 2.75Å; C274-N287 PolarHBondContact SG-N 2.81Å; C274-N287 VanDerWaalsContact SG-N 3.38Å |
| 275 | L | 78.9 | Confident | 77.5 | Confident | 143 Ų | 143 | 62.4 Ų | 62.4 | 75% | 0.749 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -61.9 | -20.5 | 170.9 | -65.9 | 175 | 0 | 0 | 0 | 113 | N272 E273 Q277 | N272-L275 HydrophobicContact CB-CD1 3.99Å; N272-L275 HydrophobicContact CB-CG 4.04Å; N272-L275 WeakPolarHBondContact O-CB 3.44Å; N272-L275 PolarHBondContact O-N 2.92Å; N272-L275 VanDerWaalsContact O-N 3.14Å; N272-L275 PolarHBondContact OD1-N 3.11Å; E273-L275 PolarHBondContact O-N 3.16Å; L275-Q277 PolarHBondContact O-N 3.39Å |
| 276 | S | 74 | Confident | 77.8 | Confident | 88 Ų | 88 | 65.1 Ų | 65.1 | 62% | 0.615 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -76.8 | -0.6 | 173.6 | 69.8 | 0 | 0 | 0 | 0 | 114.4 | E273 C274 | E273-S276 WeakPolarHBondContact O-CB 3.47Å; E273-S276 PolarHBondContact O-N 2.83Å; E273-S276 VanDerWaalsContact O-N 3.08Å; E273-S276 PolarHBondContact O-OG 3Å; C274-S276 PolarHBondContact O-N 2.73Å |
| 277 | Q | 77.5 | Confident | 77.9 | Confident | 166 Ų | 166 | 67 Ų | 67 | 78% | 0.776 | 38% | 0.375 | S | S | * | . | trans | 48.6 | 55.8 | -175.3 | -63.1 | -179.8 | 72.8 | 0 | 0 | 113.4 | C274 L275 C279 | C274-Q277 PolarHBondContact O-N 3.27Å; L275-Q277 PolarHBondContact O-N 3.39Å; Q277-C279 VanDerWaalsContact C-N 3.29Å; Q277-C279 PolarHBondContact O-N 3.35Å | ||
| 278 | P | 79.1 | Confident | 77.8 | Confident | 7 Ų | 7 | 67.5 Ų | 67.5 | 5% | 0.045 | 37% | 0.37 | C | S | . | . | trans | -75.4 | -13.3 | -171.3 | 32.1 | -36.6 | 0 | 0 | 0 | 114 | C285 Y292 R304 | P278-C285 VanDerWaalsContact CG-SG 3.56Å; P278-Y292 HydrophobicContact CB-CD1 4.39Å; P278-Y292 HydrophobicContact CB-CD2 3.99Å; P278-Y292 HydrophobicContact CB-CE1 3.99Å; P278-Y292 HydrophobicContact CB-CE2 3.56Å; P278-Y292 HydrophobicContact CB-CG 4.4Å; P278-Y292 HydrophobicContact CG-CD1 4.1Å; P278-Y292 HydrophobicContact CG-CD2 3.56Å; P278-Y292 HydrophobicContact CG-CE1 4.21Å; P278-Y292 HydrophobicContact CG-CE2 3.7Å; P278-Y292 HydrophobicContact CG-CG 3.78Å; P278-R304 VanDerWaalsContact O-CZ 3.23Å; P278-R304 PolarHBondContact O-NE 3.12Å; P278-R304 PolarHBondContact O-NH2 3.22Å | ||
| 279 | C | 82.7 | Confident | 77.7 | Confident | 21 Ų | 21 | 72.3 Ų | 72.3 | 14% | 0.142 | 39% | 0.393 | C | S | . | . | trans | -91.6 | 134.2 | -177.3 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | Q277 G283 C285 C294 | Q277-C279 VanDerWaalsContact C-N 3.29Å; Q277-C279 PolarHBondContact O-N 3.35Å; C279-G283 VanDerWaalsContact CB-O 3.24Å; C279-G283 WeakPolarHBondContact CB-O 3.29Å; C279-C285 VanDerWaalsContact SG-CB 3.53Å; C279-C294 WeakPolarHBondContact CA-SG 3.27Å; C279-C294 HydrophobicContact CB-CB 3.84Å; C279-C294 WeakPolarHBondContact CB-SG 3.38Å; C279-C294 WeakPolarHBondContact SG-CA 3.29Å; C279-C294 WeakPolarHBondContact SG-CB 3.35Å; C279-C294 CovalentContact SG-SG 2.04Å; C279-C294 PolarHBondContact SG-SG 3.23Å | ||
| 280 | L | 75.9 | Confident | 77.2 | Confident | 69 Ų | 69 | 67.9 Ų | 67.9 | 36% | 0.361 | 39% | 0.388 | S | S | . | . | trans | -96.2 | 175 | -179.6 | -56.3 | -179.3 | 0 | 0 | 0 | 110.9 | G282 G283 R304 Q306 | L280-G282 PolarHBondContact O-N 2.84Å; L280-G283 PolarHBondContact O-N 2.84Å; L280-R304 WeakPolarHBondContact CB-O 3.26Å; L280-R304 PolarHBondContact N-O 2.97Å; L280-Q306 HydrophobicContact CD1-CB 3.93Å | ||
| 281 | N | 71.8 | Confident | 77 | Confident | 76 Ų | 76 | 67.1 Ų | 67.1 | 41% | 0.406 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 35.2 | 173.6 | -57.4 | 1.1 | 0 | 0 | 0 | 114.4 | G283 F300 C305 | N281-G283 VanDerWaalsContact C-N 3.27Å; N281-G283 PolarHBondContact O-N 2.83Å; N281-F300 HydrophobicContact CB-CD1 3.74Å; N281-F300 HydrophobicContact CB-CD2 3.98Å; N281-F300 HydrophobicContact CB-CE1 3.73Å; N281-F300 HydrophobicContact CB-CE2 3.97Å; N281-F300 HydrophobicContact CB-CG 3.85Å; N281-F300 HydrophobicContact CB-CZ 3.84Å; N281-F300 WeakPolarHBondContact ND2-CD1 3.34Å; N281-F300 WeakPolarHBondContact ND2-CE1 3.42Å; N281-C305 WeakPolarHBondContact CB-O 3.38Å; N281-C305 PolarHBondContact ND2-O 3.5Å |
| 282 | G | 69.4 | Low | 77.3 | Confident | 49 Ų | 49 | 68.4 Ų | 68.4 | 51% | 0.505 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 16.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L280 K297 | L280-G282 PolarHBondContact O-N 2.84Å; G282-K297 WeakPolarHBondContact O-CE 3.28Å |
| 283 | G | 80.1 | Confident | 77.5 | Confident | 11 Ų | 11 | 70.5 Ų | 70.5 | 11% | 0.113 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 140.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C279 L280 N281 V295 | C279-G283 VanDerWaalsContact CB-O 3.24Å; C279-G283 WeakPolarHBondContact CB-O 3.29Å; L280-G283 PolarHBondContact O-N 2.84Å; N281-G283 VanDerWaalsContact C-N 3.27Å; N281-G283 PolarHBondContact O-N 2.83Å; G283-V295 CarbonylContact C-O 3.59Å; G283-V295 VanDerWaalsContact CA-O 3.3Å; G283-V295 WeakPolarHBondContact CA-O 3.43Å |
| 284 | S | 81.1 | Confident | 77.7 | Confident | 79 Ų | 79 | 69.4 Ų | 69.4 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 127.9 | -177.9 | -69.5 | 0 | 0 | 0 | 0 | 111.7 | V295 | S284-V295 PolarHBondContact N-O 3.02Å; S284-V295 PolarHBondContact O-N 3.2Å |
| 285 | C | 83 | Confident | 77.8 | Confident | 43 Ų | 43 | 71 Ų | 71 | 29% | 0.291 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 131.1 | 175.6 | -165.8 | 0 | 0 | 0 | 0 | 111.6 | C274 P278 C279 | C274-C285 WeakPolarHBondContact CA-SG 3.26Å; C274-C285 HydrophobicContact CB-CB 3.71Å; C274-C285 WeakPolarHBondContact CB-SG 3.02Å; C274-C285 WeakPolarHBondContact SG-CB 3.45Å; C274-C285 CovalentContact SG-SG 2.04Å; C274-C285 PolarHBondContact SG-SG 2.8Å; P278-C285 VanDerWaalsContact CG-SG 3.56Å; C279-C285 VanDerWaalsContact SG-CB 3.53Å |
| 286 | Q | 82.3 | Confident | 77.9 | Confident | 99 Ų | 99 | 66.1 Ų | 66.1 | 46% | 0.463 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 121.8 | 171.1 | -65 | -178.5 | -19.3 | 0 | 0 | 109.6 | K293 V295 | Q286-K293 PolarHBondContact N-O 3.21Å; Q286-K293 PolarHBondContact O-N 2.04Å; Q286-V295 HydrophobicContact CG-CG2 4.19Å |
| 287 | N | 78.4 | Confident | 77.8 | Confident | 42 Ų | 42 | 67.9 Ų | 67.9 | 23% | 0.225 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 151 | 177.6 | -144.4 | 76.5 | 0 | 0 | 0 | 111.3 | E270 I271 N272 E273 C274 | E270-N287 PolarHBondContact OE1-ND2 2.9Å; I271-N287 PolarHBondContact O-ND2 2.82Å; N272-N287 VanDerWaalsContact C-OD1 3.28Å; N272-N287 WeakPolarHBondContact CA-OD1 3.26Å; N272-N287 PolarHBondContact OD1-OD1 3.32Å; E273-N287 PolarHBondContact N-OD1 2.91Å; E273-N287 PolarHBondContact OE2-ND2 3.47Å; E273-N287 PolarHBondContact OE2-OD1 2.88Å; C274-N287 PolarHBondContact N-OD1 2.75Å; C274-N287 PolarHBondContact SG-N 2.81Å; C274-N287 VanDerWaalsContact SG-N 3.38Å |
| 288 | K | 77.2 | Confident | 77.6 | Confident | 109 Ų | 109 | 67.6 Ų | 67.6 | 47% | 0.474 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 153 | 169.5 | -62.6 | -172.7 | 173.5 | -164.1 | 0 | 108 | G290 S291 | K288-G290 PolarHBondContact O-N 2.79Å; K288-S291 CarbonylContact C-O 3.57Å; K288-S291 WeakPolarHBondContact CA-O 3.25Å; K288-S291 WeakPolarHBondContact CB-O 3.43Å; K288-S291 WeakPolarHBondContact CB-OG 3.35Å; K288-S291 PolarHBondContact N-O 2.82Å; K288-S291 PolarHBondContact O-N 3.26Å |
| 289 | I | 76.6 | Confident | 77.1 | Confident | 113 Ų | 113 | 67.9 Ų | 67.9 | 58% | 0.579 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 110.6 | 178.4 | -58.3 | 168.7 | 0 | 0 | 0 | 109.2 | F245 E270 | F245-I289 HydrophobicContact CE2-CG2 3.73Å; F245-I289 HydrophobicContact CZ-CG2 4.25Å; E270-I289 HydrophobicContact CG-CG1 4.32Å |
| 290 | G | 67.3 | Low | 76.6 | Confident | 48 Ų | 48 | 68.7 Ų | 68.7 | 50% | 0.495 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 14.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | E273 K288 | E273-G290 WeakPolarHBondContact OE1-CA 3.4Å; E273-G290 PolarHBondContact OE1-N 2.83Å; K288-G290 PolarHBondContact O-N 2.79Å |
| 291 | S | 71.8 | Confident | 76.6 | Confident | 54 Ų | 54 | 66.7 Ų | 66.7 | 38% | 0.378 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 168.3 | 179.5 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | E273 K288 | E273-S291 PolarHBondContact OE1-N 2.95Å; K288-S291 CarbonylContact C-O 3.57Å; K288-S291 WeakPolarHBondContact CA-O 3.25Å; K288-S291 WeakPolarHBondContact CB-O 3.43Å; K288-S291 WeakPolarHBondContact CB-OG 3.35Å; K288-S291 PolarHBondContact N-O 2.82Å; K288-S291 PolarHBondContact O-N 3.26Å |
| 292 | Y | 80.3 | Confident | 76.7 | Confident | 96 Ų | 96 | 64.8 Ų | 64.8 | 38% | 0.376 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 156.4 | 171.7 | 65.2 | -89.7 | 0 | 0 | 0 | 111.8 | E273 P278 | E273-Y292 HydrophobicContact CB-CD1 4.11Å; P278-Y292 HydrophobicContact CB-CD1 4.39Å; P278-Y292 HydrophobicContact CB-CD2 3.99Å; P278-Y292 HydrophobicContact CB-CE1 3.99Å; P278-Y292 HydrophobicContact CB-CE2 3.56Å; P278-Y292 HydrophobicContact CB-CG 4.4Å; P278-Y292 HydrophobicContact CG-CD1 4.1Å; P278-Y292 HydrophobicContact CG-CD2 3.56Å; P278-Y292 HydrophobicContact CG-CE1 4.21Å; P278-Y292 HydrophobicContact CG-CE2 3.7Å; P278-Y292 HydrophobicContact CG-CG 3.78Å |
| 293 | K | 81.9 | Confident | 77 | Confident | 107 Ų | 107 | 71.9 Ų | 71.9 | 47% | 0.465 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.1 | 167.2 | -177.4 | -173 | 174.6 | -168.3 | 0 | 109.6 | Q286 | Q286-K293 PolarHBondContact N-O 3.21Å; Q286-K293 PolarHBondContact O-N 2.04Å |
| 294 | C | 83.6 | Confident | 77 | Confident | 15 Ų | 15 | 76.3 Ų | 76.3 | 10% | 0.101 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 137.4 | 165.8 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | C279 | C279-C294 WeakPolarHBondContact CA-SG 3.27Å; C279-C294 HydrophobicContact CB-CB 3.84Å; C279-C294 WeakPolarHBondContact CB-SG 3.38Å; C279-C294 WeakPolarHBondContact SG-CA 3.29Å; C279-C294 WeakPolarHBondContact SG-CB 3.35Å; C279-C294 CovalentContact SG-SG 2.04Å; C279-C294 PolarHBondContact SG-SG 3.23Å |
| 295 | V | 81.8 | Confident | 76.8 | Confident | 56 Ų | 56 | 72.6 Ų | 72.6 | 34% | 0.339 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 112.7 | 167.6 | -180 | 0 | 0 | 0 | 0 | 106.7 | G283 S284 Q286 | G283-V295 CarbonylContact C-O 3.59Å; G283-V295 VanDerWaalsContact CA-O 3.3Å; G283-V295 WeakPolarHBondContact CA-O 3.43Å; S284-V295 PolarHBondContact N-O 3.02Å; S284-V295 PolarHBondContact O-N 3.2Å; Q286-V295 HydrophobicContact CG-CG2 4.19Å |
| 296 | C | 79.7 | Confident | 76.4 | Confident | 40 Ų | 40 | 75 Ų | 75 | 27% | 0.27 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 155 | -176.7 | -49 | 0 | 0 | 0 | 0 | 110.7 | F300 C305 | C296-F300 HydrophobicContact CB-CB 4.27Å; C296-F300 WeakPolarHBondContact CB-O 3.42Å; C296-C305 WeakPolarHBondContact CA-SG 3.22Å; C296-C305 HydrophobicContact CB-CB 3.72Å; C296-C305 WeakPolarHBondContact CB-SG 3.29Å; C296-C305 PolarHBondContact N-SG 2.87Å; C296-C305 VanDerWaalsContact N-SG 3.41Å; C296-C305 WeakPolarHBondContact SG-CA 3.4Å; C296-C305 WeakPolarHBondContact SG-CB 3.36Å; C296-C305 CovalentContact SG-SG 2.04Å; C296-C305 PolarHBondContact SG-SG 2.9Å |
| 297 | K | 72.3 | Confident | 75.9 | Confident | 125 Ų | 125 | 74.8 Ų | 74.8 | 54% | 0.543 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 159.4 | 164.7 | -68.9 | 177 | 173.5 | 177 | 0 | 108.9 | G282 F300 | G282-K297 WeakPolarHBondContact O-CE 3.28Å; K297-F300 HydrophobicContact CB-CD2 4.46Å; K297-F300 PolarHBondContact O-N 3.35Å |
| 298 | D | 73.2 | Confident | 75.4 | Confident | 160 Ų | 160 | 76.4 Ų | 76.4 | 86% | 0.856 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 145.4 | 168.4 | -51 | -61.3 | 0 | 0 | 0 | 109.7 | F300 | D298-F300 VanDerWaalsContact C-N 3.31Å; D298-F300 PolarHBondContact O-N 2.82Å |
| 299 | G | 68.8 | Low | 75.1 | Confident | 13 Ų | 13 | 73.3 Ų | 73.3 | 13% | 0.134 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -14.1 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | A309 E311 | G299-A309 WeakPolarHBondContact O-CB 3.39Å; G299-A309 PolarHBondContact O-N 2.89Å; G299-E311 WeakPolarHBondContact CA-OE1 3.43Å |
| 300 | F | 72.9 | Confident | 74.8 | Confident | 38 Ų | 38 | 71.4 Ų | 71.4 | 17% | 0.167 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 142.7 | -178.6 | -64.1 | -68 | 0 | 0 | 0 | 115 | N281 C296 K297 D298 I307 D308 P327 | N281-F300 HydrophobicContact CB-CD1 3.74Å; N281-F300 HydrophobicContact CB-CD2 3.98Å; N281-F300 HydrophobicContact CB-CE1 3.73Å; N281-F300 HydrophobicContact CB-CE2 3.97Å; N281-F300 HydrophobicContact CB-CG 3.85Å; N281-F300 HydrophobicContact CB-CZ 3.84Å; N281-F300 WeakPolarHBondContact ND2-CD1 3.34Å; N281-F300 WeakPolarHBondContact ND2-CE1 3.42Å; C296-F300 HydrophobicContact CB-CB 4.27Å; C296-F300 WeakPolarHBondContact CB-O 3.42Å; K297-F300 HydrophobicContact CB-CD2 4.46Å; K297-F300 PolarHBondContact O-N 3.35Å; D298-F300 VanDerWaalsContact C-N 3.31Å; D298-F300 PolarHBondContact O-N 2.82Å; F300-I307 CarbonylContact C-O 3.59Å; F300-I307 WeakPolarHBondContact CA-O 3.38Å; F300-D308 WeakPolarHBondContact CE1-OD1 3.3Å; F300-P327 HydrophobicContact CE1-CB 4.4Å; F300-P327 VanDerWaalsContact CZ-C 3.45Å; F300-P327 HydrophobicContact CZ-CB 4.24Å |
| 301 | G | 75 | Confident | 75.2 | Confident | 27 Ų | 27 | 71.4 Ų | 71.4 | 28% | 0.278 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 177 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | C305 Q306 I307 | G301-C305 CarbonylContact O-C 3.43Å; G301-C305 VanDerWaalsContact O-C 3.27Å; G301-C305 VanDerWaalsContact O-CA 3.23Å; G301-C305 WeakPolarHBondContact O-CA 3.42Å; G301-Q306 PolarHBondContact O-N 2.84Å; G301-I307 PolarHBondContact N-O 2.84Å; G301-I307 WeakPolarHBondContact O-CB 3.32Å; G301-I307 PolarHBondContact O-N 2.89Å |
| 302 | G | 74.9 | Confident | 75.4 | Confident | 37 Ų | 37 | 70 Ų | 70 | 38% | 0.381 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 88.5 | 165.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R304 C305 | G302-R304 PolarHBondContact O-N 3.28Å; G302-R304 VanDerWaalsContact O-N 3.08Å; G302-C305 PolarHBondContact O-N 2.91Å |
| 303 | K | 74.9 | Confident | 75.2 | Confident | 198 Ų | 198 | 72.8 Ų | 72.8 | 86% | 0.861 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.5 | -170.8 | -69 | -176.8 | 178.5 | 178.7 | 0 | 115 | ||
| 304 | R | 79.2 | Confident | 74.8 | Confident | 104 Ų | 104 | 71.8 Ų | 71.8 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | 14.7 | 175.4 | -64.7 | -175.6 | 64.2 | -158 | -5.6 | 112.6 | P278 L280 G302 Q306 | P278-R304 VanDerWaalsContact O-CZ 3.23Å; P278-R304 PolarHBondContact O-NE 3.12Å; P278-R304 PolarHBondContact O-NH2 3.22Å; L280-R304 WeakPolarHBondContact CB-O 3.26Å; L280-R304 PolarHBondContact N-O 2.97Å; G302-R304 PolarHBondContact O-N 3.28Å; G302-R304 VanDerWaalsContact O-N 3.08Å; R304-Q306 VanDerWaalsContact C-N 3.3Å |
| 305 | C | 77.9 | Confident | 74.6 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 43% | 0.425 | C | S | . | . | S | Bend | trans | 59.6 | 39.8 | -173.1 | -48 | 0 | 0 | 0 | 0 | 113 | N281 C296 G301 G302 | N281-C305 WeakPolarHBondContact CB-O 3.38Å; N281-C305 PolarHBondContact ND2-O 3.5Å; C296-C305 WeakPolarHBondContact CA-SG 3.22Å; C296-C305 HydrophobicContact CB-CB 3.72Å; C296-C305 WeakPolarHBondContact CB-SG 3.29Å; C296-C305 PolarHBondContact N-SG 2.87Å; C296-C305 VanDerWaalsContact N-SG 3.41Å; C296-C305 WeakPolarHBondContact SG-CA 3.4Å; C296-C305 WeakPolarHBondContact SG-CB 3.36Å; C296-C305 CovalentContact SG-SG 2.04Å; C296-C305 PolarHBondContact SG-SG 2.9Å; G301-C305 CarbonylContact O-C 3.43Å; G301-C305 VanDerWaalsContact O-C 3.27Å; G301-C305 VanDerWaalsContact O-CA 3.23Å; G301-C305 WeakPolarHBondContact O-CA 3.42Å; G302-C305 PolarHBondContact O-N 2.91Å |
| 306 | Q | 74.4 | Confident | 74.5 | Confident | 94 Ų | 94 | 77.5 Ų | 77.5 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | trans | -101.3 | 1.5 | -172.2 | 84 | -69.2 | -17.5 | 0 | 0 | 114.5 | L280 G301 R304 | L280-Q306 HydrophobicContact CD1-CB 3.93Å; G301-Q306 PolarHBondContact O-N 2.84Å; R304-Q306 VanDerWaalsContact C-N 3.3Å | ||
| 307 | I | 72.1 | Confident | 74.6 | Confident | 94 Ų | 94 | 76.7 Ų | 76.7 | 48% | 0.482 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 134.3 | 178.9 | -53.1 | 175.8 | 0 | 0 | 0 | 107.7 | F300 G301 | F300-I307 CarbonylContact C-O 3.59Å; F300-I307 WeakPolarHBondContact CA-O 3.38Å; G301-I307 PolarHBondContact N-O 2.84Å; G301-I307 WeakPolarHBondContact O-CB 3.32Å; G301-I307 PolarHBondContact O-N 2.89Å |
| 308 | D | 68.7 | Low | 74.8 | Confident | 76 Ų | 76 | 76.2 Ų | 76.2 | 41% | 0.406 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 144.5 | 173.7 | -131.9 | -6.9 | 0 | 0 | 0 | 109.9 | F300 P327 G328 | F300-D308 WeakPolarHBondContact CE1-OD1 3.3Å; D308-P327 WeakPolarHBondContact OD1-CA 3.28Å; D308-P327 WeakPolarHBondContact OD2-CA 3.42Å; D308-G328 PolarHBondContact OD1-N 3.12Å |
| 309 | A | 69.3 | Low | 75 | Confident | 44 Ų | 44 | 72.7 Ų | 72.7 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | trans | -104 | 139.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | G299 | G299-A309 WeakPolarHBondContact O-CB 3.39Å; G299-A309 PolarHBondContact O-N 2.89Å | ||
| 310 | N | 71.2 | Confident | 75.4 | Confident | 74 Ų | 74 | 81.6 Ų | 81.6 | 40% | 0.396 | 43% | 0.426 | S | S | . | . | trans | -92.9 | 107.4 | 177.1 | -179.6 | -68 | 0 | 0 | 0 | 109.1 | C312 L313 D325 | N310-C312 PolarHBondContact OD1-N 3.14Å; N310-L313 HydrophobicContact CB-CD1 4.19Å; N310-L313 WeakPolarHBondContact OD1-CG 3.01Å; N310-L313 PolarHBondContact OD1-N 2.92Å; N310-D325 VanDerWaalsContact CA-OD1 3.23Å; N310-D325 WeakPolarHBondContact CA-OD1 2.99Å; N310-D325 WeakPolarHBondContact CB-OD2 3.4Å; N310-D325 VanDerWaalsContact CG-OD2 3.25Å; N310-D325 PolarHBondContact ND2-OD1 3.38Å; N310-D325 PolarHBondContact ND2-OD2 2.81Å; N310-D325 PolarHBondContact OD1-OD1 2.92Å | ||
| 311 | E | 75.1 | Confident | 75.7 | Confident | 48 Ų | 48 | 80.3 Ų | 80.3 | 22% | 0.224 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -80 | -24.7 | 179.6 | -82.7 | 85.7 | -131.6 | 0 | 0 | 112.8 | G299 L313 S314 D325 S329 Y330 | G299-E311 WeakPolarHBondContact CA-OE1 3.43Å; E311-L313 PolarHBondContact O-N 2.85Å; E311-L313 VanDerWaalsContact O-N 3.14Å; E311-S314 WeakPolarHBondContact O-CB 3.01Å; E311-S314 PolarHBondContact O-N 3.44Å; E311-S314 PolarHBondContact O-OG 2.62Å; E311-D325 PolarHBondContact N-OD1 2.91Å; E311-D325 VanDerWaalsContact N-OD1 3.11Å; E311-S329 VanDerWaalsContact OE2-CA 3.26Å; E311-S329 WeakPolarHBondContact OE2-CA 3.45Å; E311-S329 PolarHBondContact OE2-N 3.19Å; E311-Y330 HydrophobicContact CB-CD1 3.57Å; E311-Y330 HydrophobicContact CB-CE1 4.4Å; E311-Y330 HydrophobicContact CB-CG 4.28Å; E311-Y330 HydrophobicContact CG-CD1 4.16Å |
| 312 | C | 76.4 | Confident | 76.2 | Confident | 25 Ų | 25 | 83.7 Ų | 83.7 | 17% | 0.169 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -63.6 | -19.7 | -178.7 | -78.5 | 0 | 0 | 0 | 0 | 114 | N310 S314 E315 C323 D325 | N310-C312 PolarHBondContact OD1-N 3.14Å; C312-S314 PolarHBondContact O-N 2.89Å; C312-E315 PolarHBondContact O-N 2.77Å; C312-E315 VanDerWaalsContact O-N 3.17Å; C312-C323 WeakPolarHBondContact CA-SG 3.47Å; C312-C323 HydrophobicContact CB-CB 3.9Å; C312-C323 WeakPolarHBondContact CB-SG 3.38Å; C312-C323 VanDerWaalsContact SG-C 3.57Å; C312-C323 WeakPolarHBondContact SG-CB 3.29Å; C312-C323 CovalentContact SG-SG 2.05Å; C312-C323 PolarHBondContact SG-SG 3.14Å; C312-D325 HydrophobicContact CB-CB 4.4Å; C312-D325 PolarHBondContact N-OD1 3.18Å |
| 313 | L | 75.9 | Confident | 76.6 | Confident | 153 Ų | 153 | 83.8 Ų | 83.8 | 80% | 0.801 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -59 | -10.1 | 168.6 | -74.5 | 170.2 | 0 | 0 | 0 | 114.5 | N310 E311 | N310-L313 HydrophobicContact CB-CD1 4.19Å; N310-L313 WeakPolarHBondContact OD1-CG 3.01Å; N310-L313 PolarHBondContact OD1-N 2.92Å; E311-L313 PolarHBondContact O-N 2.85Å; E311-L313 VanDerWaalsContact O-N 3.14Å |
| 314 | S | 74.2 | Confident | 76.9 | Confident | 86 Ų | 86 | 78.7 Ų | 78.7 | 60% | 0.601 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -96.8 | 3.9 | 176.9 | 67.1 | 0 | 0 | 0 | 0 | 115.2 | E311 C312 | E311-S314 WeakPolarHBondContact O-CB 3.01Å; E311-S314 PolarHBondContact O-N 3.44Å; E311-S314 PolarHBondContact O-OG 2.62Å; C312-S314 PolarHBondContact O-N 2.89Å |
| 315 | E | 78.7 | Confident | 76.7 | Confident | 175 Ų | 175 | 76.6 Ų | 76.6 | 82% | 0.818 | 41% | 0.409 | S | S | * | . | trans | 49 | 50.6 | -176.7 | -58.7 | -167.7 | 151.7 | 0 | 0 | 115.1 | C312 C317 | C312-E315 PolarHBondContact O-N 2.77Å; C312-E315 VanDerWaalsContact O-N 3.17Å; E315-C317 VanDerWaalsContact C-N 3.35Å; E315-C317 PolarHBondContact O-N 2.04Å | ||
| 316 | P | 80.3 | Confident | 76.6 | Confident | 16 Ų | 16 | 79.9 Ų | 79.9 | 10% | 0.104 | 42% | 0.424 | C | S | . | . | trans | -74 | -17.5 | -169.9 | 30.6 | -36.8 | 0 | 0 | 0 | 115.3 | Y330 N342 | P316-Y330 HydrophobicContact CB-CD2 4.12Å; P316-Y330 HydrophobicContact CB-CE1 4.26Å; P316-Y330 HydrophobicContact CB-CE2 3.53Å; P316-Y330 HydrophobicContact CG-CD1 4.26Å; P316-Y330 HydrophobicContact CG-CD2 3.5Å; P316-Y330 HydrophobicContact CG-CE1 4.22Å; P316-Y330 HydrophobicContact CG-CE2 3.48Å; P316-Y330 VanDerWaalsContact CG-CE2 3.48Å; P316-Y330 HydrophobicContact CG-CG 3.9Å; P316-N342 WeakPolarHBondContact O-CB 3.19Å; P316-N342 PolarHBondContact O-ND2 2.02Å | ||
| 317 | C | 82.2 | Confident | 76.1 | Confident | 24 Ų | 24 | 80 Ų | 80 | 16% | 0.162 | 43% | 0.433 | C | S | . | . | trans | -86.2 | 121.7 | -171.5 | -55.2 | 0 | 0 | 0 | 0 | 112.9 | E315 G321 C323 C332 | E315-C317 VanDerWaalsContact C-N 3.35Å; E315-C317 PolarHBondContact O-N 2.04Å; C317-G321 WeakPolarHBondContact CB-O 3.38Å; C317-C323 VanDerWaalsContact SG-CA 3.53Å; C317-C323 VanDerWaalsContact SG-CB 3.5Å; C317-C332 WeakPolarHBondContact CA-SG 3.24Å; C317-C332 HydrophobicContact CB-CB 3.76Å; C317-C332 WeakPolarHBondContact CB-SG 3.23Å; C317-C332 WeakPolarHBondContact SG-CA 3.35Å; C317-C332 WeakPolarHBondContact SG-CB 3.38Å; C317-C332 CovalentContact SG-SG 2.03Å; C317-C332 PolarHBondContact SG-SG 3.24Å | ||
| 318 | M | 75.9 | Confident | 76 | Confident | 114 Ų | 114 | 76.4 Ų | 76.4 | 56% | 0.562 | 42% | 0.419 | S | S | * | . | trans | -90.7 | 176.9 | 179.7 | -58.4 | -164.5 | 172.9 | 0 | 0 | 112.3 | K320 G321 N342 | M318-K320 PolarHBondContact O-N 2.84Å; M318-G321 PolarHBondContact O-N 2.77Å; M318-N342 WeakPolarHBondContact CA-O 3.29Å; M318-N342 WeakPolarHBondContact CB-O 3.22Å; M318-N342 PolarHBondContact N-O 2.87Å | ||
| 319 | N | 77.6 | Confident | 76.1 | Confident | 86 Ų | 86 | 75.2 Ų | 75.2 | 46% | 0.46 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 29.5 | 172.6 | -64.6 | -34.9 | 0 | 0 | 0 | 115.4 | G321 C343 | N319-G321 VanDerWaalsContact C-N 3.29Å; N319-G321 PolarHBondContact O-N 3.13Å; N319-C343 PolarHBondContact ND2-O 2.89Å |
| 320 | K | 77.4 | Confident | 76.6 | Confident | 201 Ų | 201 | 75.7 Ų | 75.7 | 87% | 0.874 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 25.4 | -175.3 | -48 | 179.5 | -176.9 | 178.3 | 0 | 114.4 | M318 | M318-K320 PolarHBondContact O-N 2.84Š|
| 321 | G | 78.6 | Confident | 77.1 | Confident | 11 Ų | 11 | 75.5 Ų | 75.5 | 11% | 0.113 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 144.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | C317 M318 N319 H333 | C317-G321 WeakPolarHBondContact CB-O 3.38Å; M318-G321 PolarHBondContact O-N 2.77Å; N319-G321 VanDerWaalsContact C-N 3.29Å; N319-G321 PolarHBondContact O-N 3.13Å; G321-H333 WeakPolarHBondContact CA-O 3.46Å |
| 322 | T | 84.6 | Confident | 77.5 | Confident | 97 Ų | 97 | 73.6 Ų | 73.6 | 60% | 0.595 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 128.4 | 179.8 | -52.5 | 0 | 0 | 0 | 0 | 110.3 | H333 | T322-H333 PolarHBondContact N-O 3.02Å; T322-H333 PolarHBondContact O-N 3.22Å |
| 323 | C | 83.4 | Confident | 77.8 | Confident | 40 Ų | 40 | 76.8 Ų | 76.8 | 27% | 0.27 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 129.6 | 173.8 | -158.7 | 0 | 0 | 0 | 0 | 111 | C312 C317 | C312-C323 WeakPolarHBondContact CA-SG 3.47Å; C312-C323 HydrophobicContact CB-CB 3.9Å; C312-C323 WeakPolarHBondContact CB-SG 3.38Å; C312-C323 VanDerWaalsContact SG-C 3.57Å; C312-C323 WeakPolarHBondContact SG-CB 3.29Å; C312-C323 CovalentContact SG-SG 2.05Å; C312-C323 PolarHBondContact SG-SG 3.14Å; C317-C323 VanDerWaalsContact SG-CA 3.53Å; C317-C323 VanDerWaalsContact SG-CB 3.5Å |
| 324 | E | 81 | Confident | 78 | Confident | 91 Ų | 91 | 71.6 Ų | 71.6 | 43% | 0.425 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 127.3 | 168 | -177.8 | 176.3 | -147.8 | 0 | 0 | 109.2 | Y330 L331 H333 | E324-Y330 WeakPolarHBondContact O-CA 3.49Å; E324-L331 PolarHBondContact N-O 3.35Å; E324-L331 PolarHBondContact O-N 3.34Å; E324-H333 IonicContact OE2-CD2 3.89Å; E324-H333 IonicContact OE2-CE1 3.54Å; E324-H333 IonicContact OE2-NE2 2.76Å; E324-H333 PolarHBondContact OE2-NE2 3.03Å |
| 325 | D | 76.3 | Confident | 77.9 | Confident | 60 Ų | 60 | 70 Ų | 70 | 32% | 0.321 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 132.7 | -179.1 | -159.8 | 62.2 | 0 | 0 | 0 | 109.9 | N310 E311 C312 | N310-D325 VanDerWaalsContact CA-OD1 3.23Å; N310-D325 WeakPolarHBondContact CA-OD1 2.99Å; N310-D325 WeakPolarHBondContact CB-OD2 3.4Å; N310-D325 VanDerWaalsContact CG-OD2 3.25Å; N310-D325 PolarHBondContact ND2-OD1 3.38Å; N310-D325 PolarHBondContact ND2-OD2 2.81Å; N310-D325 PolarHBondContact OD1-OD1 2.92Å; E311-D325 PolarHBondContact N-OD1 2.91Å; E311-D325 VanDerWaalsContact N-OD1 3.11Å; C312-D325 HydrophobicContact CB-CB 4.4Å; C312-D325 PolarHBondContact N-OD1 3.18Å |
| 326 | Q | 74.6 | Confident | 77.5 | Confident | 68 Ų | 68 | 71.3 Ų | 71.3 | 32% | 0.318 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 157.5 | -176.7 | -57.8 | -165.9 | -8 | 0 | 0 | 110.3 | G328 S329 L331 | Q326-G328 PolarHBondContact O-N 2.81Å; Q326-S329 CarbonylContact C-O 3.58Å; Q326-S329 VanDerWaalsContact CA-O 3.31Å; Q326-S329 WeakPolarHBondContact CA-O 3.45Å; Q326-S329 WeakPolarHBondContact CB-O 3.43Å; Q326-S329 PolarHBondContact N-O 2.92Å; Q326-S329 PolarHBondContact O-N 2.85Å; Q326-L331 HydrophobicContact CG-CB 4.46Å |
| 327 | P | 65.7 | Low | 76.8 | Confident | 97 Ų | 97 | 72.8 Ų | 72.8 | 63% | 0.63 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 109.4 | -176.9 | -28.3 | 37.2 | 0 | 0 | 0 | 113.2 | F300 D308 | F300-P327 HydrophobicContact CE1-CB 4.4Å; F300-P327 VanDerWaalsContact CZ-C 3.45Å; F300-P327 HydrophobicContact CZ-CB 4.24Å; D308-P327 WeakPolarHBondContact OD1-CA 3.28Å; D308-P327 WeakPolarHBondContact OD2-CA 3.42Å |
| 328 | G | 67.9 | Low | 76.3 | Confident | 18 Ų | 18 | 75 Ų | 75 | 19% | 0.186 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 26.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | D308 Q326 | D308-G328 PolarHBondContact OD1-N 3.12Å; Q326-G328 PolarHBondContact O-N 2.81Å |
| 329 | S | 71.5 | Confident | 76 | Confident | 51 Ų | 51 | 75.4 Ų | 75.4 | 36% | 0.357 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | 171.5 | 172.5 | 52.7 | 0 | 0 | 0 | 0 | 113.1 | E311 Q326 | E311-S329 VanDerWaalsContact OE2-CA 3.26Å; E311-S329 WeakPolarHBondContact OE2-CA 3.45Å; E311-S329 PolarHBondContact OE2-N 3.19Å; Q326-S329 CarbonylContact C-O 3.58Å; Q326-S329 VanDerWaalsContact CA-O 3.31Å; Q326-S329 WeakPolarHBondContact CA-O 3.45Å; Q326-S329 WeakPolarHBondContact CB-O 3.43Å; Q326-S329 PolarHBondContact N-O 2.92Å; Q326-S329 PolarHBondContact O-N 2.85Å |
| 330 | Y | 80.8 | Confident | 75.7 | Confident | 54 Ų | 54 | 72.7 Ų | 72.7 | 21% | 0.212 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 153.2 | 169.3 | 62.9 | -84.7 | 0 | 0 | 0 | 112 | E311 P316 E324 N342 | E311-Y330 HydrophobicContact CB-CD1 3.57Å; E311-Y330 HydrophobicContact CB-CE1 4.4Å; E311-Y330 HydrophobicContact CB-CG 4.28Å; E311-Y330 HydrophobicContact CG-CD1 4.16Å; P316-Y330 HydrophobicContact CB-CD2 4.12Å; P316-Y330 HydrophobicContact CB-CE1 4.26Å; P316-Y330 HydrophobicContact CB-CE2 3.53Å; P316-Y330 HydrophobicContact CG-CD1 4.26Å; P316-Y330 HydrophobicContact CG-CD2 3.5Å; P316-Y330 HydrophobicContact CG-CE1 4.22Å; P316-Y330 HydrophobicContact CG-CE2 3.48Å; P316-Y330 VanDerWaalsContact CG-CE2 3.48Å; P316-Y330 HydrophobicContact CG-CG 3.9Å; E324-Y330 WeakPolarHBondContact O-CA 3.49Å; Y330-N342 PolarHBondContact OH-ND2 2.04Å; Y330-N342 PolarHBondContact OH-OD1 3.45Å |
| 331 | L | 80.6 | Confident | 75.6 | Confident | 70 Ų | 70 | 69.4 Ų | 69.4 | 37% | 0.366 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.5 | 172 | 176.7 | 61.9 | 0 | 0 | 0 | 110.3 | E324 Q326 | E324-L331 PolarHBondContact N-O 3.35Å; E324-L331 PolarHBondContact O-N 3.34Å; Q326-L331 HydrophobicContact CG-CB 4.46Å |
| 332 | C | 84.1 | Confident | 75.6 | Confident | 9 Ų | 9 | 70.7 Ų | 70.7 | 6% | 0.061 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 118 | 170.4 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | C317 C334 Q341 | C317-C332 WeakPolarHBondContact CA-SG 3.24Å; C317-C332 HydrophobicContact CB-CB 3.76Å; C317-C332 WeakPolarHBondContact CB-SG 3.23Å; C317-C332 WeakPolarHBondContact SG-CA 3.35Å; C317-C332 WeakPolarHBondContact SG-CB 3.38Å; C317-C332 CovalentContact SG-SG 2.03Å; C317-C332 PolarHBondContact SG-SG 3.24Å; C332-C334 PolarHBondContact O-N 2.98Å; C332-Q341 WeakPolarHBondContact CB-O 3.3Å; C332-Q341 PolarHBondContact SG-O 2.86Å; C332-Q341 VanDerWaalsContact SG-O 3.39Å |
| 333 | H | 82.3 | Confident | 75.2 | Confident | 91 Ų | 91 | 66 Ų | 66 | 42% | 0.421 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 100.8 | 174 | -70.2 | -79.1 | 0 | 0 | 0 | 110.4 | G321 T322 E324 | G321-H333 WeakPolarHBondContact CA-O 3.46Å; T322-H333 PolarHBondContact N-O 3.02Å; T322-H333 PolarHBondContact O-N 3.22Å; E324-H333 IonicContact OE2-CD2 3.89Å; E324-H333 IonicContact OE2-CE1 3.54Å; E324-H333 IonicContact OE2-NE2 2.76Å; E324-H333 PolarHBondContact OE2-NE2 3.03Å |
| 334 | C | 79.8 | Confident | 74.8 | Confident | 45 Ų | 45 | 68.7 Ų | 68.7 | 30% | 0.304 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 138.9 | -172.8 | -54.7 | 0 | 0 | 0 | 0 | 114 | C332 F338 C343 | C332-C334 PolarHBondContact O-N 2.98Å; C334-F338 HydrophobicContact CB-CB 4.5Å; C334-C343 WeakPolarHBondContact CA-SG 3.26Å; C334-C343 HydrophobicContact CB-CB 3.73Å; C334-C343 WeakPolarHBondContact CB-SG 3.49Å; C334-C343 WeakPolarHBondContact SG-CA 3.07Å; C334-C343 WeakPolarHBondContact SG-CB 3.06Å; C334-C343 CovalentContact SG-SG 2.04Å; C334-C343 PolarHBondContact SG-SG 2.9Å |
| 335 | P | 73.6 | Confident | 74.1 | Confident | 51 Ų | 51 | 68.6 Ų | 68.6 | 33% | 0.331 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 155.7 | 174.4 | 28.6 | -33.5 | 0 | 0 | 0 | 112.4 | G337 F338 | P335-G337 PolarHBondContact O-N 2.04Å; P335-F338 HydrophobicContact CG-CD2 4.03Å; P335-F338 PolarHBondContact O-N 2.92Å |
| 336 | Q | 69.9 | Low | 73.3 | Confident | 203 Ų | 203 | 73.2 Ų | 73.2 | 95% | 0.949 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 121 | -172.6 | -166.1 | 177.3 | 32.8 | 0 | 0 | 112.4 | ||
| 337 | G | 65.9 | Low | 72.6 | Confident | 48 Ų | 48 | 75.8 Ų | 75.8 | 50% | 0.495 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 111.2 | -20.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P335 Q347 | P335-G337 PolarHBondContact O-N 2.04Å; G337-Q347 PolarHBondContact O-N 2.84Å |
| 338 | F | 72 | Confident | 72.3 | Confident | 69 Ų | 69 | 75.8 Ų | 75.8 | 30% | 0.303 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 150.2 | 179.7 | -61.8 | -89.2 | 0 | 0 | 0 | 112.2 | C334 P335 I345 E346 | C334-F338 HydrophobicContact CB-CB 4.5Å; P335-F338 HydrophobicContact CG-CD2 4.03Å; P335-F338 PolarHBondContact O-N 2.92Å; F338-I345 CarbonylContact C-O 3.57Å; F338-I345 WeakPolarHBondContact CA-O 3.39Å; F338-E346 HydrophobicContact CD1-CG 4.01Å; F338-E346 HydrophobicContact CE1-CG 3.61Å; F338-E346 HydrophobicContact CZ-CG 4.38Å |
| 339 | K | 68.9 | Low | 71.9 | Confident | 123 Ų | 123 | 76 Ų | 76 | 54% | 0.535 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 172.2 | 178.2 | -171.3 | 169.7 | 174.6 | -174.5 | 0 | 109 | C343 E344 I345 | K339-C343 CarbonylContact O-C 3.58Å; K339-E344 PolarHBondContact O-N 2.72Å; K339-I345 PolarHBondContact N-O 2.64Å; K339-I345 WeakPolarHBondContact O-CA 3.36Å; K339-I345 VanDerWaalsContact O-CB 3.32Å; K339-I345 WeakPolarHBondContact O-CB 3.44Å; K339-I345 PolarHBondContact O-N 3.42Å |
| 340 | G | 71.4 | Confident | 71.8 | Confident | 29 Ų | 29 | 75.1 Ų | 75.1 | 30% | 0.299 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 127.7 | 178.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | E344 | G340-E344 VanDerWaalsContact CA-CD 3.47Å; G340-E344 WeakPolarHBondContact CA-OE1 3.1Å; G340-E344 WeakPolarHBondContact CA-OE2 3.48Å |
| 341 | Q | 73.9 | Confident | 71.2 | Confident | 132 Ų | 132 | 80.3 Ų | 80.3 | 62% | 0.617 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -77 | -31.3 | 173.4 | -173.8 | 169.4 | -12.5 | 0 | 0 | 111.2 | C332 E344 | C332-Q341 WeakPolarHBondContact CB-O 3.3Å; C332-Q341 PolarHBondContact SG-O 2.86Å; C332-Q341 VanDerWaalsContact SG-O 3.39Å; Q341-E344 PolarHBondContact N-OE1 2.94Å; Q341-E344 PolarHBondContact N-OE2 2.9Å; Q341-E344 VanDerWaalsContact N-OE2 3.13Å |
| 342 | N | 79.5 | Confident | 70.4 | Confident | 38 Ų | 38 | 81 Ų | 81 | 20% | 0.203 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -119 | 16.9 | -177.4 | -61.8 | 33.1 | 0 | 0 | 0 | 111 | P316 M318 Y330 E344 | P316-N342 WeakPolarHBondContact O-CB 3.19Å; P316-N342 PolarHBondContact O-ND2 2.02Å; M318-N342 WeakPolarHBondContact CA-O 3.29Å; M318-N342 WeakPolarHBondContact CB-O 3.22Å; M318-N342 PolarHBondContact N-O 2.87Å; Y330-N342 PolarHBondContact OH-ND2 2.04Å; Y330-N342 PolarHBondContact OH-OD1 3.45Å; N342-E344 VanDerWaalsContact C-OE2 3.26Å; N342-E344 VanDerWaalsContact CA-OE2 3.32Å; N342-E344 WeakPolarHBondContact CA-OE2 3.47Å; N342-E344 PolarHBondContact N-OE2 2.98Å |
| 343 | C | 77 | Confident | 69.7 | Low | 0 Ų | 0 | 85 Ų | 85 | 0% | 0 | 46% | 0.459 | C | S | . | . | S | Bend | trans | 65.8 | 34.4 | -177.3 | -48 | 0 | 0 | 0 | 0 | 115.1 | N319 C334 K339 | N319-C343 PolarHBondContact ND2-O 2.89Å; C334-C343 WeakPolarHBondContact CA-SG 3.26Å; C334-C343 HydrophobicContact CB-CB 3.73Å; C334-C343 WeakPolarHBondContact CB-SG 3.49Å; C334-C343 WeakPolarHBondContact SG-CA 3.07Å; C334-C343 WeakPolarHBondContact SG-CB 3.06Å; C334-C343 CovalentContact SG-SG 2.04Å; C334-C343 PolarHBondContact SG-SG 2.9Å; K339-C343 CarbonylContact O-C 3.58Å |
| 344 | E | 74.8 | Confident | 69.4 | Low | 95 Ų | 95 | 80.9 Ų | 80.9 | 44% | 0.444 | 44% | 0.44 | S | S | . | . | trans | -88.1 | -5.2 | -170.6 | 72.3 | -70.5 | 166.8 | 0 | 0 | 116.6 | K339 G340 Q341 N342 | K339-E344 PolarHBondContact O-N 2.72Å; G340-E344 VanDerWaalsContact CA-CD 3.47Å; G340-E344 WeakPolarHBondContact CA-OE1 3.1Å; G340-E344 WeakPolarHBondContact CA-OE2 3.48Å; Q341-E344 PolarHBondContact N-OE1 2.94Å; Q341-E344 PolarHBondContact N-OE2 2.9Å; Q341-E344 VanDerWaalsContact N-OE2 3.13Å; N342-E344 VanDerWaalsContact C-OE2 3.26Å; N342-E344 VanDerWaalsContact CA-OE2 3.32Å; N342-E344 WeakPolarHBondContact CA-OE2 3.47Å; N342-E344 PolarHBondContact N-OE2 2.98Å | ||
| 345 | I | 66 | Low | 69.5 | Low | 90 Ų | 90 | 79.6 Ų | 79.6 | 46% | 0.462 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.9 | -169.7 | -42.5 | 178.4 | 0 | 0 | 0 | 111.6 | F338 K339 | F338-I345 CarbonylContact C-O 3.57Å; F338-I345 WeakPolarHBondContact CA-O 3.39Å; K339-I345 PolarHBondContact N-O 2.64Å; K339-I345 WeakPolarHBondContact O-CA 3.36Å; K339-I345 VanDerWaalsContact O-CB 3.32Å; K339-I345 WeakPolarHBondContact O-CB 3.44Å; K339-I345 PolarHBondContact O-N 3.42Å |
| 346 | E | 60.3 | Low | 69.7 | Low | 157 Ų | 157 | 80.8 Ų | 80.8 | 73% | 0.734 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 140.7 | 167.9 | -64.4 | -178.5 | 176.3 | 0 | 0 | 110.7 | F338 | F338-E346 HydrophobicContact CD1-CG 4.01Å; F338-E346 HydrophobicContact CE1-CG 3.61Å; F338-E346 HydrophobicContact CZ-CG 4.38Å |
| 347 | Q | 58.8 | Low | 69.9 | Low | 121 Ų | 121 | 75.5 Ų | 75.5 | 57% | 0.565 | 41% | 0.413 | S | S | * | . | trans | -116 | 125.1 | -170.6 | -171 | 179.4 | -33.2 | 0 | 0 | 115.2 | G337 | G337-Q347 PolarHBondContact O-N 2.84Š| ||
| 348 | D | 58.6 | Low | 70.2 | Confident | 98 Ų | 98 | 76.4 Ų | 76.4 | 52% | 0.524 | 42% | 0.422 | S | S | . | . | trans | -95.4 | 160.9 | 169.4 | -162.8 | 0.2 | 0 | 0 | 0 | 112.6 | ||||
| 349 | G | 61.2 | Low | 70.7 | Confident | 23 Ų | 23 | 73.7 Ų | 73.7 | 24% | 0.237 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -87.4 | -33.8 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | S352 | G349-S352 PolarHBondContact O-OG 3.45Š|
| 350 | C | 68.7 | Low | 71.5 | Confident | 31 Ų | 31 | 72 Ų | 72 | 21% | 0.209 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -86.6 | -14 | -177.3 | -84.6 | 0 | 0 | 0 | 0 | 114.7 | S352 S353 C361 G363 | C350-S352 PolarHBondContact O-N 2.97Å; C350-S352 VanDerWaalsContact O-N 3.07Å; C350-S353 PolarHBondContact O-N 2.99Å; C350-C361 VanDerWaalsContact CA-SG 3.6Å; C350-C361 HydrophobicContact CB-CB 4.04Å; C350-C361 WeakPolarHBondContact CB-SG 3.47Å; C350-C361 WeakPolarHBondContact SG-CB 3.47Å; C350-C361 CovalentContact SG-SG 2.05Å; C350-C361 PolarHBondContact SG-SG 2.88Å; C350-G363 VanDerWaalsContact SG-CA 3.59Å; C350-G363 PolarHBondContact SG-N 3.19Å |
| 351 | E | 67.3 | Low | 71.9 | Confident | 163 Ų | 163 | 72.3 Ų | 72.3 | 76% | 0.762 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -34.7 | 178.8 | -150.5 | 67.8 | -146.4 | 0 | 0 | 112.2 | S353 | E351-S353 PolarHBondContact O-N 3.4Å; E351-S353 VanDerWaalsContact O-N 3.15Å |
| 352 | S | 65.4 | Low | 72.3 | Confident | 84 Ų | 84 | 73.1 Ų | 73.1 | 59% | 0.587 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 0.3 | 179.5 | 66.3 | 0 | 0 | 0 | 0 | 115.6 | G349 C350 | G349-S352 PolarHBondContact O-OG 3.45Å; C350-S352 PolarHBondContact O-N 2.97Å; C350-S352 VanDerWaalsContact O-N 3.07Å |
| 353 | S | 68 | Low | 71.8 | Confident | 95 Ų | 95 | 73.1 Ų | 73.1 | 66% | 0.664 | 42% | 0.418 | S | S | * | . | trans | 46.3 | 54.5 | -175.8 | -63.4 | 0 | 0 | 0 | 0 | 113.7 | C350 E351 C355 | C350-S353 PolarHBondContact O-N 2.99Å; E351-S353 PolarHBondContact O-N 3.4Å; E351-S353 VanDerWaalsContact O-N 3.15Å; S353-C355 VanDerWaalsContact C-N 3.28Å; S353-C355 PolarHBondContact O-N 2.8Å | ||
| 354 | P | 76.6 | Confident | 71.3 | Confident | 4 Ų | 4 | 78.5 Ų | 78.5 | 3% | 0.026 | 44% | 0.439 | C | S | . | . | trans | -70.1 | -19.6 | -167.9 | 28.2 | -35.7 | 0 | 0 | 0 | 114.4 | C361 Y368 R380 | P354-C361 VanDerWaalsContact CG-SG 3.59Å; P354-Y368 HydrophobicContact CB-CD2 4.07Å; P354-Y368 HydrophobicContact CB-CE1 4.06Å; P354-Y368 HydrophobicContact CB-CE2 3.53Å; P354-Y368 HydrophobicContact CG-CD1 4.07Å; P354-Y368 HydrophobicContact CG-CD2 3.54Å; P354-Y368 HydrophobicContact CG-CE1 4.1Å; P354-Y368 HydrophobicContact CG-CE2 3.58Å; P354-Y368 HydrophobicContact CG-CG 3.81Å; P354-R380 PolarHBondContact O-NE 2.81Å; P354-R380 PolarHBondContact O-NH2 3.17Å | ||
| 355 | C | 81.9 | Confident | 70.5 | Confident | 18 Ų | 18 | 86 Ų | 86 | 12% | 0.122 | 46% | 0.463 | C | S | . | . | trans | -83.1 | 128.3 | -176.4 | -51.1 | 0 | 0 | 0 | 0 | 112 | S353 G359 C361 C370 | S353-C355 VanDerWaalsContact C-N 3.28Å; S353-C355 PolarHBondContact O-N 2.8Å; C355-G359 VanDerWaalsContact CB-O 3.27Å; C355-G359 WeakPolarHBondContact CB-O 3.07Å; C355-C361 WeakPolarHBondContact SG-CA 3.09Å; C355-C370 WeakPolarHBondContact CA-SG 3.49Å; C355-C370 HydrophobicContact CB-CB 3.79Å; C355-C370 WeakPolarHBondContact CB-SG 3.43Å; C355-C370 WeakPolarHBondContact SG-CA 3.05Å; C355-C370 WeakPolarHBondContact SG-CB 3.04Å; C355-C370 CovalentContact SG-SG 2.03Å; C355-C370 PolarHBondContact SG-SG 2.78Å | ||
| 356 | L | 77.1 | Confident | 70 | Confident | 76 Ų | 76 | 90.9 Ų | 90.9 | 40% | 0.398 | 48% | 0.484 | S | S | . | . | trans | -93.5 | 172.1 | -178 | -55.6 | 178.6 | 0 | 0 | 0 | 111.4 | G358 G359 R380 Q382 | L356-G358 PolarHBondContact O-N 3.18Å; L356-G359 PolarHBondContact O-N 2.9Å; L356-R380 WeakPolarHBondContact CB-O 3.25Å; L356-R380 PolarHBondContact N-O 3.24Å; L356-Q382 HydrophobicContact CD1-CB 4.17Å | ||
| 357 | N | 74 | Confident | 70.1 | Confident | 92 Ų | 92 | 90.2 Ų | 90.2 | 49% | 0.492 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 25.4 | 173.4 | -59.6 | -39.9 | 0 | 0 | 0 | 115.5 | F376 C381 | N357-F376 HydrophobicContact CB-CD1 3.68Å; N357-F376 HydrophobicContact CB-CE1 3.64Å; N357-F376 HydrophobicContact CB-CG 4.25Å; N357-F376 HydrophobicContact CB-CZ 4.18Å; N357-C381 PolarHBondContact ND2-O 2.88Å |
| 358 | G | 74 | Confident | 70.8 | Confident | 66 Ų | 66 | 88.7 Ų | 88.7 | 68% | 0.68 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 17 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L356 | L356-G358 PolarHBondContact O-N 3.18Š|
| 359 | G | 81.9 | Confident | 71.8 | Confident | 13 Ų | 13 | 87.2 Ų | 87.2 | 13% | 0.134 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 146.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | C355 L356 T371 | C355-G359 VanDerWaalsContact CB-O 3.27Å; C355-G359 WeakPolarHBondContact CB-O 3.07Å; L356-G359 PolarHBondContact O-N 2.9Å; G359-T371 CarbonylContact C-O 3.58Å; G359-T371 VanDerWaalsContact CA-O 3.26Å; G359-T371 WeakPolarHBondContact CA-O 3.26Å |
| 360 | V | 85.1 | Confident | 72.9 | Confident | 86 Ų | 86 | 86.9 Ų | 86.9 | 52% | 0.521 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 122.1 | -175.1 | -178.4 | 0 | 0 | 0 | 0 | 110.7 | C370 T371 | V360-C370 WeakPolarHBondContact O-CA 3.44Å; V360-T371 PolarHBondContact N-O 3.35Å; V360-T371 PolarHBondContact O-N 2.83Å |
| 361 | C | 80.4 | Confident | 73.6 | Confident | 37 Ų | 37 | 88.3 Ų | 88.3 | 25% | 0.25 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 136.7 | 174 | -161.4 | 0 | 0 | 0 | 0 | 111.3 | C350 P354 C355 | C350-C361 VanDerWaalsContact CA-SG 3.6Å; C350-C361 HydrophobicContact CB-CB 4.04Å; C350-C361 WeakPolarHBondContact CB-SG 3.47Å; C350-C361 WeakPolarHBondContact SG-CB 3.47Å; C350-C361 CovalentContact SG-SG 2.05Å; C350-C361 PolarHBondContact SG-SG 2.88Å; P354-C361 VanDerWaalsContact CG-SG 3.59Å; C355-C361 WeakPolarHBondContact SG-CA 3.09Å |
| 362 | R | 81.2 | Confident | 74.3 | Confident | 148 Ų | 148 | 82.7 Ų | 82.7 | 56% | 0.558 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 119.8 | 166.4 | -70.8 | -179.7 | 172.9 | 156 | -1.9 | 109.2 | Y364 Y368 V369 | R362-Y364 HydrophobicContact CB-CE2 4.46Å; R362-Y368 CarbonylContact O-C 3.57Å; R362-Y368 WeakPolarHBondContact O-CA 3Å; R362-V369 PolarHBondContact N-O 3Å; R362-V369 PolarHBondContact O-N 3.01Å |
| 363 | G | 68.9 | Low | 74.8 | Confident | 39 Ų | 39 | 85.7 Ų | 85.7 | 40% | 0.402 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 141 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C350 | C350-G363 VanDerWaalsContact SG-CA 3.59Å; C350-G363 PolarHBondContact SG-N 3.19Å |
| 364 | Y | 67.8 | Low | 75 | Confident | 113 Ų | 113 | 88.5 Ų | 88.5 | 44% | 0.443 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 157.2 | 168.5 | -56.4 | -83.3 | 0 | 0 | 0 | 108.1 | R362 Q366 Y367 V369 | R362-Y364 HydrophobicContact CB-CE2 4.46Å; Y364-Q366 PolarHBondContact O-N 2.88Å; Y364-Y367 CarbonylContact C-O 3.59Å; Y364-Y367 WeakPolarHBondContact CA-O 3.21Å; Y364-Y367 WeakPolarHBondContact CB-O 3.45Å; Y364-Y367 AromaticContact CD2-CD2 3.99Å; Y364-Y367 HydrophobicContact CD2-CD2 3.99Å; Y364-Y367 AromaticContact CD2-CE2 3.49Å; Y364-Y367 HydrophobicContact CD2-CE2 3.49Å; Y364-Y367 VanDerWaalsContact CD2-CE2 3.49Å; Y364-Y367 AromaticContact CD2-CZ 3.82Å; Y364-Y367 HydrophobicContact CE2-CE2 4.07Å; Y364-Y367 HydrophobicContact CG-CE1 4.43Å; Y364-Y367 HydrophobicContact CG-CE2 4.14Å; Y364-Y367 AromaticContact CG-CZ 4Å; Y364-Y367 PolarHBondContact N-O 2.85Å; Y364-Y367 PolarHBondContact O-N 3.02Å; Y364-Y367 VanDerWaalsContact O-N 3.08Å; Y364-V369 HydrophobicContact CD2-CG2 4.42Å; Y364-V369 HydrophobicContact CE2-CG2 4.02Å |
| 365 | R | 57.6 | Low | 74.3 | Confident | 252 Ų | 252 | 89.4 Ų | 89.4 | 95% | 0.951 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -11.4 | -169.6 | -68.1 | -179 | 176 | 169.2 | -2.8 | 117.3 | ||
| 366 | Q | 55.1 | Low | 73.8 | Confident | 192 Ų | 192 | 91.9 Ų | 91.9 | 90% | 0.897 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.9 | -0.1 | 178.1 | -66.8 | -176 | -27.2 | 0 | 0 | 114.2 | Y364 | Y364-Q366 PolarHBondContact O-N 2.88Š|
| 367 | Y | 63.1 | Low | 73.6 | Confident | 143 Ų | 143 | 92.9 Ų | 92.9 | 56% | 0.561 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 162.2 | -179.5 | 66.7 | -84.9 | 0 | 0 | 0 | 112 | Y364 V369 | Y364-Y367 CarbonylContact C-O 3.59Å; Y364-Y367 WeakPolarHBondContact CA-O 3.21Å; Y364-Y367 WeakPolarHBondContact CB-O 3.45Å; Y364-Y367 AromaticContact CD2-CD2 3.99Å; Y364-Y367 HydrophobicContact CD2-CD2 3.99Å; Y364-Y367 AromaticContact CD2-CE2 3.49Å; Y364-Y367 HydrophobicContact CD2-CE2 3.49Å; Y364-Y367 VanDerWaalsContact CD2-CE2 3.49Å; Y364-Y367 AromaticContact CD2-CZ 3.82Å; Y364-Y367 HydrophobicContact CE2-CE2 4.07Å; Y364-Y367 HydrophobicContact CG-CE1 4.43Å; Y364-Y367 HydrophobicContact CG-CE2 4.14Å; Y364-Y367 AromaticContact CG-CZ 4Å; Y364-Y367 PolarHBondContact N-O 2.85Å; Y364-Y367 PolarHBondContact O-N 3.02Å; Y364-Y367 VanDerWaalsContact O-N 3.08Å; Y367-V369 HydrophobicContact CD2-CG2 4Å; Y367-V369 HydrophobicContact CE2-CG2 3.83Å |
| 368 | Y | 72.8 | Confident | 73.4 | Confident | 89 Ų | 89 | 89.9 Ų | 89.9 | 35% | 0.349 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 159.3 | 173.5 | 65.1 | -94.3 | 0 | 0 | 0 | 111.4 | P354 R362 | P354-Y368 HydrophobicContact CB-CD2 4.07Å; P354-Y368 HydrophobicContact CB-CE1 4.06Å; P354-Y368 HydrophobicContact CB-CE2 3.53Å; P354-Y368 HydrophobicContact CG-CD1 4.07Å; P354-Y368 HydrophobicContact CG-CD2 3.54Å; P354-Y368 HydrophobicContact CG-CE1 4.1Å; P354-Y368 HydrophobicContact CG-CE2 3.58Å; P354-Y368 HydrophobicContact CG-CG 3.81Å; R362-Y368 CarbonylContact O-C 3.57Å; R362-Y368 WeakPolarHBondContact O-CA 3Å |
| 369 | V | 79.6 | Confident | 73.4 | Confident | 67 Ų | 67 | 95 Ų | 95 | 41% | 0.406 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 132.3 | 174.3 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | R362 Y364 Y367 | R362-V369 PolarHBondContact N-O 3Å; R362-V369 PolarHBondContact O-N 3.01Å; Y364-V369 HydrophobicContact CD2-CG2 4.42Å; Y364-V369 HydrophobicContact CE2-CG2 4.02Å; Y367-V369 HydrophobicContact CD2-CG2 4Å; Y367-V369 HydrophobicContact CE2-CG2 3.83Å |
| 370 | C | 84.1 | Confident | 73.2 | Confident | 16 Ų | 16 | 99.4 Ų | 99.4 | 11% | 0.108 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 130.6 | 174.6 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | C355 V360 E379 | C355-C370 WeakPolarHBondContact CA-SG 3.49Å; C355-C370 HydrophobicContact CB-CB 3.79Å; C355-C370 WeakPolarHBondContact CB-SG 3.43Å; C355-C370 WeakPolarHBondContact SG-CA 3.05Å; C355-C370 WeakPolarHBondContact SG-CB 3.04Å; C355-C370 CovalentContact SG-SG 2.03Å; C355-C370 PolarHBondContact SG-SG 2.78Å; V360-C370 WeakPolarHBondContact O-CA 3.44Å; C370-E379 WeakPolarHBondContact CB-O 3.46Å |
| 371 | T | 83.7 | Confident | 72.9 | Confident | 62 Ų | 62 | 95.3 Ų | 95.3 | 38% | 0.38 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 117.4 | 171.4 | -47.1 | 0 | 0 | 0 | 0 | 109 | G359 V360 | G359-T371 CarbonylContact C-O 3.58Å; G359-T371 VanDerWaalsContact CA-O 3.26Å; G359-T371 WeakPolarHBondContact CA-O 3.26Å; V360-T371 PolarHBondContact N-O 3.35Å; V360-T371 PolarHBondContact O-N 2.83Å |
| 372 | C | 81.4 | Confident | 72.6 | Confident | 45 Ų | 45 | 97.8 Ų | 97.8 | 30% | 0.304 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -87 | 157.9 | -173.5 | -51.7 | 0 | 0 | 0 | 0 | 113 | F376 G378 C381 | C372-F376 WeakPolarHBondContact CB-O 3.3Å; C372-G378 PolarHBondContact SG-O 3.45Å; C372-C381 WeakPolarHBondContact CA-SG 3.05Å; C372-C381 HydrophobicContact CB-CB 3.78Å; C372-C381 WeakPolarHBondContact CB-SG 3.17Å; C372-C381 WeakPolarHBondContact SG-CA 3.43Å; C372-C381 WeakPolarHBondContact SG-CB 3.36Å; C372-C381 CovalentContact SG-SG 2.04Å; C372-C381 PolarHBondContact SG-SG 2.95Å |
| 373 | K | 77 | Confident | 71.7 | Confident | 146 Ų | 146 | 95.1 Ų | 95.1 | 64% | 0.635 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -95.2 | 153.6 | 176.9 | -167.9 | 174.1 | -178 | 179.7 | 0 | 109.8 | G375 F376 | K373-G375 PolarHBondContact O-N 3.04Å; K373-F376 WeakPolarHBondContact O-CB 3.16Å; K373-F376 PolarHBondContact O-N 2.92Å |
| 374 | D | 71.3 | Confident | 71.5 | Confident | 155 Ų | 155 | 95.5 Ų | 95.5 | 83% | 0.829 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.3 | 133.9 | -178.4 | -48.6 | -51.9 | 0 | 0 | 0 | 112.4 | ||
| 375 | G | 62.3 | Low | 71.3 | Confident | 22 Ų | 22 | 96.6 Ų | 96.6 | 23% | 0.227 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -4.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | K373 L384 E385 | K373-G375 PolarHBondContact O-N 3.04Å; G375-L384 CarbonylContact O-C 3.5Å; G375-L384 WeakPolarHBondContact O-CA 3.32Å; G375-L384 WeakPolarHBondContact O-CD1 2.92Å; G375-E385 WeakPolarHBondContact CA-OE2 3.45Å; G375-E385 PolarHBondContact N-OE2 3.12Å; G375-E385 WeakPolarHBondContact O-CB 3.48Å; G375-E385 PolarHBondContact O-N 2.76Å |
| 376 | F | 70.4 | Confident | 71.7 | Confident | 71 Ų | 71 | 87.3 Ų | 87.3 | 31% | 0.311 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 143.2 | 179.1 | -64.9 | -94 | 0 | 0 | 0 | 113.6 | N357 C372 K373 M383 L384 | N357-F376 HydrophobicContact CB-CD1 3.68Å; N357-F376 HydrophobicContact CB-CE1 3.64Å; N357-F376 HydrophobicContact CB-CG 4.25Å; N357-F376 HydrophobicContact CB-CZ 4.18Å; C372-F376 WeakPolarHBondContact CB-O 3.3Å; K373-F376 WeakPolarHBondContact O-CB 3.16Å; K373-F376 PolarHBondContact O-N 2.92Å; F376-M383 CarbonylContact C-O 3.55Å; F376-M383 VanDerWaalsContact CA-O 3.23Å; F376-M383 WeakPolarHBondContact CA-O 3.23Å; F376-L384 HydrophobicContact CD1-CD1 3.88Å; F376-L384 HydrophobicContact CD2-CD1 4.42Å; F376-L384 HydrophobicContact CE1-CD1 3.47Å; F376-L384 VanDerWaalsContact CE1-CD1 3.47Å; F376-L384 HydrophobicContact CE2-CD1 4.06Å; F376-L384 HydrophobicContact CG-CD1 4.34Å; F376-L384 HydrophobicContact CZ-CD1 3.58Å |
| 377 | F | 73.9 | Confident | 72.4 | Confident | 97 Ų | 97 | 79 Ų | 79 | 43% | 0.425 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 177.5 | -180 | 71.4 | -84.4 | 0 | 0 | 0 | 113.9 | C381 Q382 M383 | F377-C381 CarbonylContact O-C 3.6Å; F377-C381 WeakPolarHBondContact O-CA 3.41Å; F377-Q382 PolarHBondContact O-N 3.24Å; F377-M383 HydrophobicContact CD1-CB 3.88Å; F377-M383 HydrophobicContact CD2-CB 3.92Å; F377-M383 HydrophobicContact CD2-CG 4.47Å; F377-M383 HydrophobicContact CD2-SD 4.09Å; F377-M383 HydrophobicContact CE1-CB 3.68Å; F377-M383 HydrophobicContact CE2-CB 3.72Å; F377-M383 HydrophobicContact CE2-CG 4.18Å; F377-M383 HydrophobicContact CE2-SD 3.49Å; F377-M383 WeakPolarHBondContact CE2-SD 3.38Å; F377-M383 HydrophobicContact CG-CB 4Å; F377-M383 HydrophobicContact CZ-CB 3.6Å; F377-M383 HydrophobicContact CZ-CG 4.4Å; F377-M383 HydrophobicContact CZ-SD 4Å; F377-M383 PolarHBondContact N-O 2.93Å; F377-M383 WeakPolarHBondContact O-CB 3.28Å; F377-M383 PolarHBondContact O-N 3.45Å |
| 378 | G | 69 | Low | 73.1 | Confident | 28 Ų | 28 | 73.2 Ų | 73.2 | 29% | 0.289 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 95 | 160.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | C372 R380 C381 | C372-G378 PolarHBondContact SG-O 3.45Å; G378-R380 PolarHBondContact O-N 2.85Å; G378-C381 PolarHBondContact O-N 2.86Å |
| 379 | E | 73.9 | Confident | 73.2 | Confident | 175 Ų | 175 | 73.9 Ų | 73.9 | 82% | 0.818 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -18.9 | -170.1 | -60.6 | -172.5 | 150.8 | 0 | 0 | 115.4 | C370 | C370-E379 WeakPolarHBondContact CB-O 3.46Š|
| 380 | R | 78.8 | Confident | 72.9 | Confident | 104 Ų | 104 | 77 Ų | 77 | 39% | 0.392 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | 17.4 | 173.7 | -62.7 | -176.1 | 61.3 | -170.2 | -2.5 | 112.2 | P354 L356 G378 Q382 | P354-R380 PolarHBondContact O-NE 2.81Å; P354-R380 PolarHBondContact O-NH2 3.17Å; L356-R380 WeakPolarHBondContact CB-O 3.25Å; L356-R380 PolarHBondContact N-O 3.24Å; G378-R380 PolarHBondContact O-N 2.85Å; R380-Q382 VanDerWaalsContact C-N 3.26Å; R380-Q382 PolarHBondContact O-N 2.82Å |
| 381 | C | 78.3 | Confident | 72.6 | Confident | 1 Ų | 1 | 83.9 Ų | 83.9 | 1% | 0.007 | 43% | 0.426 | C | S | . | . | S | Bend | trans | 57.8 | 34.4 | -176.2 | -49.8 | 0 | 0 | 0 | 0 | 114.2 | N357 C372 F377 G378 | N357-C381 PolarHBondContact ND2-O 2.88Å; C372-C381 WeakPolarHBondContact CA-SG 3.05Å; C372-C381 HydrophobicContact CB-CB 3.78Å; C372-C381 WeakPolarHBondContact CB-SG 3.17Å; C372-C381 WeakPolarHBondContact SG-CA 3.43Å; C372-C381 WeakPolarHBondContact SG-CB 3.36Å; C372-C381 CovalentContact SG-SG 2.04Å; C372-C381 PolarHBondContact SG-SG 2.95Å; F377-C381 CarbonylContact O-C 3.6Å; F377-C381 WeakPolarHBondContact O-CA 3.41Å; G378-C381 PolarHBondContact O-N 2.86Å |
| 382 | Q | 74.7 | Confident | 72.4 | Confident | 88 Ų | 88 | 82.8 Ų | 82.8 | 41% | 0.411 | 42% | 0.42 | S | S | . | . | trans | -89 | -9.1 | -170.6 | 74.7 | -82.1 | 20.1 | 0 | 0 | 115.3 | L356 F377 R380 | L356-Q382 HydrophobicContact CD1-CB 4.17Å; F377-Q382 PolarHBondContact O-N 3.24Å; R380-Q382 VanDerWaalsContact C-N 3.26Å; R380-Q382 PolarHBondContact O-N 2.82Å | ||
| 383 | M | 61.8 | Low | 72.4 | Confident | 92 Ų | 92 | 80.9 Ų | 80.9 | 45% | 0.453 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 153.7 | -177.8 | -53.4 | -172 | -178.1 | 0 | 0 | 111.1 | F376 F377 | F376-M383 CarbonylContact C-O 3.55Å; F376-M383 VanDerWaalsContact CA-O 3.23Å; F376-M383 WeakPolarHBondContact CA-O 3.23Å; F377-M383 HydrophobicContact CD1-CB 3.88Å; F377-M383 HydrophobicContact CD2-CB 3.92Å; F377-M383 HydrophobicContact CD2-CG 4.47Å; F377-M383 HydrophobicContact CD2-SD 4.09Å; F377-M383 HydrophobicContact CE1-CB 3.68Å; F377-M383 HydrophobicContact CE2-CB 3.72Å; F377-M383 HydrophobicContact CE2-CG 4.18Å; F377-M383 HydrophobicContact CE2-SD 3.49Å; F377-M383 WeakPolarHBondContact CE2-SD 3.38Å; F377-M383 HydrophobicContact CG-CB 4Å; F377-M383 HydrophobicContact CZ-CB 3.6Å; F377-M383 HydrophobicContact CZ-CG 4.4Å; F377-M383 HydrophobicContact CZ-SD 4Å; F377-M383 PolarHBondContact N-O 2.93Å; F377-M383 WeakPolarHBondContact O-CB 3.28Å; F377-M383 PolarHBondContact O-N 3.45Å |
| 384 | L | 64.5 | Low | 72.7 | Confident | 47 Ų | 47 | 76.2 Ų | 76.2 | 25% | 0.246 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 136.7 | -177 | -168.3 | 79.4 | 0 | 0 | 0 | 110.4 | G375 F376 D386 L390 | G375-L384 CarbonylContact O-C 3.5Å; G375-L384 WeakPolarHBondContact O-CA 3.32Å; G375-L384 WeakPolarHBondContact O-CD1 2.92Å; F376-L384 HydrophobicContact CD1-CD1 3.88Å; F376-L384 HydrophobicContact CD2-CD1 4.42Å; F376-L384 HydrophobicContact CE1-CD1 3.47Å; F376-L384 VanDerWaalsContact CE1-CD1 3.47Å; F376-L384 HydrophobicContact CE2-CD1 4.06Å; F376-L384 HydrophobicContact CG-CD1 4.34Å; F376-L384 HydrophobicContact CZ-CD1 3.58Å; L384-D386 WeakPolarHBondContact CD2-O 3.48Å; L384-L390 HydrophobicContact CD2-CD1 3.98Å; L384-L390 HydrophobicContact CD2-CD2 4.22Å; L384-L390 HydrophobicContact CD2-CG 3.8Å |
| 385 | E | 63.2 | Low | 73.3 | Confident | 136 Ų | 136 | 74.7 Ų | 74.7 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -70.8 | -41.7 | -169.5 | -167.7 | 171.3 | -175.5 | 0 | 0 | 114 | G375 | G375-E385 WeakPolarHBondContact CA-OE2 3.45Å; G375-E385 PolarHBondContact N-OE2 3.12Å; G375-E385 WeakPolarHBondContact O-CB 3.48Å; G375-E385 PolarHBondContact O-N 2.76Å |
| 386 | D | 66.3 | Low | 74.4 | Confident | 57 Ų | 57 | 77.8 Ų | 77.8 | 31% | 0.305 | 40% | 0.402 | S | S | . | . | trans | -117.2 | 105.9 | 163.8 | 177.5 | 31.1 | 0 | 0 | 0 | 111.6 | L384 C388 V389 S401 | L384-D386 WeakPolarHBondContact CD2-O 3.48Å; D386-C388 PolarHBondContact O-N 2.74Å; D386-C388 WeakPolarHBondContact OD1-CB 3.37Å; D386-C388 PolarHBondContact OD1-N 2.76Å; D386-V389 HydrophobicContact CB-CG2 4.12Å; D386-V389 WeakPolarHBondContact O-CG2 3.27Å; D386-V389 PolarHBondContact O-N 2.65Å; D386-S401 VanDerWaalsContact OD1-CB 3.25Å; D386-S401 WeakPolarHBondContact OD1-CB 3.42Å; D386-S401 PolarHBondContact OD1-OG 2.83Å | ||
| 387 | P | 70.6 | Confident | 75 | Confident | 19 Ų | 19 | 75 Ų | 75 | 12% | 0.123 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -63.1 | -18.8 | 174.7 | 25.6 | -36.6 | 0 | 0 | 0 | 114.6 | V389 L390 Y407 | P387-V389 PolarHBondContact O-N 2.76Å; P387-L390 PolarHBondContact O-N 2.92Å; P387-Y407 HydrophobicContact CB-CD1 3.86Å; P387-Y407 HydrophobicContact CB-CG 4.42Å; P387-Y407 HydrophobicContact CG-CD1 4.18Å; P387-Y407 HydrophobicContact CG-CG 4.49Å |
| 388 | C | 77.2 | Confident | 75.7 | Confident | 20 Ų | 20 | 74.2 Ų | 74.2 | 14% | 0.135 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -69.9 | -19.2 | 179.1 | -75.7 | 0 | 0 | 0 | 0 | 113.7 | D386 L390 K391 C399 W400 | D386-C388 PolarHBondContact O-N 2.74Å; D386-C388 WeakPolarHBondContact OD1-CB 3.37Å; D386-C388 PolarHBondContact OD1-N 2.76Å; C388-L390 PolarHBondContact O-N 3.26Å; C388-K391 PolarHBondContact O-N 3.43Å; C388-C399 WeakPolarHBondContact CA-SG 3.42Å; C388-C399 HydrophobicContact CB-CB 3.78Å; C388-C399 WeakPolarHBondContact CB-SG 3.21Å; C388-C399 VanDerWaalsContact SG-C 3.57Å; C388-C399 WeakPolarHBondContact SG-CB 3.16Å; C388-C399 CovalentContact SG-SG 2.04Å; C388-C399 PolarHBondContact SG-SG 2.83Å; C388-W400 PolarHBondContact SG-N 2.74Å |
| 389 | V | 75.2 | Confident | 76.4 | Confident | 103 Ų | 103 | 74.9 Ų | 74.9 | 62% | 0.624 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -57.4 | -32.6 | 173 | 178.7 | 0 | 0 | 0 | 0 | 112.1 | D386 P387 K391 | D386-V389 HydrophobicContact CB-CG2 4.12Å; D386-V389 WeakPolarHBondContact O-CG2 3.27Å; D386-V389 PolarHBondContact O-N 2.65Å; P387-V389 PolarHBondContact O-N 2.76Å; V389-K391 PolarHBondContact O-N 3.23Å |
| 390 | L | 73.6 | Confident | 76.9 | Confident | 133 Ų | 133 | 70.9 Ų | 70.9 | 70% | 0.696 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -74.8 | -1.6 | 177 | -59.7 | 177.2 | 0 | 0 | 0 | 113.7 | L384 P387 C388 | L384-L390 HydrophobicContact CD2-CD1 3.98Å; L384-L390 HydrophobicContact CD2-CD2 4.22Å; L384-L390 HydrophobicContact CD2-CG 3.8Å; P387-L390 PolarHBondContact O-N 2.92Å; C388-L390 PolarHBondContact O-N 3.26Å |
| 391 | K | 77.5 | Confident | 76.9 | Confident | 161 Ų | 161 | 68.4 Ų | 68.4 | 70% | 0.7 | 38% | 0.375 | S | S | * | . | trans | 50.2 | 51.9 | -177.6 | -57.6 | 179.8 | -177.2 | 175.2 | 0 | 113.6 | C388 V389 C393 G394 | C388-K391 PolarHBondContact O-N 3.43Å; V389-K391 PolarHBondContact O-N 3.23Å; K391-C393 VanDerWaalsContact C-N 3.26Å; K391-C393 PolarHBondContact O-N 3.31Å; K391-C393 VanDerWaalsContact O-N 3.17Å; K391-G394 WeakPolarHBondContact O-CA 3.38Å; K391-G394 PolarHBondContact O-N 3.44Å | ||
| 392 | P | 79.5 | Confident | 76.7 | Confident | 39 Ų | 39 | 71.4 Ų | 71.4 | 25% | 0.253 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -34.1 | -174.7 | 23.5 | -33.9 | 0 | 0 | 0 | 113.6 | G394 Y407 | P392-G394 PolarHBondContact O-N 3.5Å; P392-Y407 HydrophobicContact CB-CD2 4.04Å; P392-Y407 HydrophobicContact CB-CE2 3.69Å; P392-Y407 HydrophobicContact CG-CD1 4.45Å; P392-Y407 HydrophobicContact CG-CD2 3.6Å; P392-Y407 HydrophobicContact CG-CE2 3.81Å; P392-Y407 HydrophobicContact CG-CG 3.97Å |
| 393 | C | 81.9 | Confident | 76.3 | Confident | 4 Ų | 4 | 79.2 Ų | 79.2 | 3% | 0.027 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 0.5 | 176.6 | -36.5 | 0 | 0 | 0 | 0 | 114.4 | K391 R396 G397 C399 C409 | K391-C393 VanDerWaalsContact C-N 3.26Å; K391-C393 PolarHBondContact O-N 3.31Å; K391-C393 VanDerWaalsContact O-N 3.17Å; C393-R396 PolarHBondContact O-N 2.85Å; C393-G397 PolarHBondContact O-N 2.95Å; C393-G397 VanDerWaalsContact O-N 3.13Å; C393-C399 WeakPolarHBondContact SG-CA 3.46Å; C393-C399 WeakPolarHBondContact SG-CB 3.08Å; C393-C409 VanDerWaalsContact CA-SG 3.55Å; C393-C409 HydrophobicContact CB-CB 3.77Å; C393-C409 WeakPolarHBondContact CB-SG 3.45Å; C393-C409 VanDerWaalsContact SG-CA 3.57Å; C393-C409 WeakPolarHBondContact SG-CB 3.42Å; C393-C409 CovalentContact SG-SG 2.02Å; C393-C409 PolarHBondContact SG-SG 3.32Å |
| 394 | G | 83.1 | Confident | 76.6 | Confident | 49 Ų | 49 | 84.8 Ų | 84.8 | 51% | 0.505 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | -135.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K391 P392 | K391-G394 WeakPolarHBondContact O-CA 3.38Å; K391-G394 PolarHBondContact O-N 3.44Å; P392-G394 PolarHBondContact O-N 3.5Å |
| 395 | T | 83.6 | Confident | 76.7 | Confident | 122 Ų | 122 | 84.1 Ų | 84.1 | 75% | 0.748 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 3 | 168.1 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | K412 | T395-K412 WeakPolarHBondContact O-CE 3.44Å; T395-K412 PolarHBondContact O-NZ 2.92Å |
| 396 | R | 84.6 | Confident | 77.2 | Confident | 88 Ų | 88 | 82.4 Ų | 82.4 | 33% | 0.332 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -19.8 | -169.5 | -77.9 | 173.1 | 62.2 | 104.2 | -5.7 | 113.5 | C393 K412 L415 C420 D423 | C393-R396 PolarHBondContact O-N 2.85Å; R396-K412 WeakPolarHBondContact O-CB 3.45Å; R396-K412 WeakPolarHBondContact O-CG 3.22Å; R396-K412 PolarHBondContact O-N 2.96Å; R396-K412 VanDerWaalsContact O-N 3.14Å; R396-L415 HydrophobicContact CB-CD1 3.64Å; R396-L415 HydrophobicContact CG-CD1 3.81Å; R396-L415 VanDerWaalsContact NH2-CD2 3.35Å; R396-L415 WeakPolarHBondContact O-CD1 3.23Å; R396-C420 HydrophobicContact CB-CB 4.02Å; R396-C420 VanDerWaalsContact CZ-O 3.31Å; R396-C420 PolarHBondContact NE-O 2.86Å; R396-C420 PolarHBondContact NH2-O 2.04Å; R396-D423 IonicContact CZ-OD1 2.91Å; R396-D423 IonicContact NH1-OD1 3.83Å; R396-D423 PolarHBondContact NH1-OD1 3.04Å; R396-D423 VanDerWaalsContact NH1-OD1 3.12Å; R396-D423 IonicContact NH2-OD1 2.74Å; R396-D423 PolarHBondContact NH2-OD1 3.49Å |
| 397 | G | 84.5 | Confident | 77.8 | Confident | 11 Ų | 11 | 82 Ų | 82 | 11% | 0.113 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 178.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | C393 V410 | C393-G397 PolarHBondContact O-N 2.95Å; C393-G397 VanDerWaalsContact O-N 3.13Å; G397-V410 CarbonylContact C-O 3.42Å; G397-V410 WeakPolarHBondContact CA-O 3.38Å |
| 398 | S | 87.6 | Confident | 78.4 | Confident | 81 Ų | 81 | 83.7 Ų | 83.7 | 57% | 0.566 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 129.6 | 172 | -62.9 | 0 | 0 | 0 | 0 | 110 | C409 V410 | S398-C409 WeakPolarHBondContact O-CA 3.31Å; S398-V410 PolarHBondContact N-O 3.43Å; S398-V410 PolarHBondContact O-N 3.27Å |
| 399 | C | 85.3 | Confident | 78.8 | Confident | 43 Ų | 43 | 83.2 Ų | 83.2 | 29% | 0.291 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 140.9 | 178 | -163.1 | 0 | 0 | 0 | 0 | 111.3 | C388 C393 | C388-C399 WeakPolarHBondContact CA-SG 3.42Å; C388-C399 HydrophobicContact CB-CB 3.78Å; C388-C399 WeakPolarHBondContact CB-SG 3.21Å; C388-C399 VanDerWaalsContact SG-C 3.57Å; C388-C399 WeakPolarHBondContact SG-CB 3.16Å; C388-C399 CovalentContact SG-SG 2.04Å; C388-C399 PolarHBondContact SG-SG 2.83Å; C393-C399 WeakPolarHBondContact SG-CA 3.46Å; C393-C399 WeakPolarHBondContact SG-CB 3.08Å |
| 400 | W | 82.8 | Confident | 79.3 | Confident | 90 Ų | 90 | 82.1 Ų | 82.1 | 34% | 0.341 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 143.8 | 161.4 | 62.5 | -85.2 | 0 | 0 | 0 | 110.5 | C388 D402 Y407 N408 Y504 | C388-W400 PolarHBondContact SG-N 2.74Å; W400-D402 HydrophobicContact CZ3-CB 4.25Å; W400-Y407 CarbonylContact O-C 3.39Å; W400-Y407 WeakPolarHBondContact O-CA 3.32Å; W400-N408 HydrophobicContact CD2-CB 4.06Å; W400-N408 HydrophobicContact CH2-CB 4.35Å; W400-N408 WeakPolarHBondContact CH2-ND2 3.37Å; W400-N408 HydrophobicContact CZ2-CB 3.69Å; W400-N408 WeakPolarHBondContact CZ2-ND2 3.41Å; W400-N408 PolarHBondContact N-O 3.05Å; W400-N408 PolarHBondContact O-N 2.79Å; W400-Y504 HydrophobicContact CH2-CD2 4.15Å; W400-Y504 HydrophobicContact CH2-CE2 4.43Å; W400-Y504 HydrophobicContact CH2-CG 4.26Å; W400-Y504 HydrophobicContact CZ2-CD2 4.12Å; W400-Y504 HydrophobicContact CZ2-CG 4.04Å |
| 401 | S | 78.5 | Confident | 80 | Confident | 52 Ų | 52 | 76.7 Ų | 76.7 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 139.5 | 177.6 | 35.9 | 0 | 0 | 0 | 0 | 111.5 | D386 N406 | D386-S401 VanDerWaalsContact OD1-CB 3.25Å; D386-S401 WeakPolarHBondContact OD1-CB 3.42Å; D386-S401 PolarHBondContact OD1-OG 2.83Å; S401-N406 CarbonylContact C-O 3.5Å; S401-N406 WeakPolarHBondContact CA-O 3.3Å |
| 402 | D | 75.1 | Confident | 80.5 | Confident | 65 Ų | 65 | 74.7 Ų | 74.7 | 35% | 0.348 | 39% | 0.39 | S | S | . | . | trans | -88.2 | 157.2 | 170.3 | 179.2 | 35.6 | 0 | 0 | 0 | 110.3 | W400 R404 G405 N406 | W400-D402 HydrophobicContact CZ3-CB 4.25Å; D402-R404 PolarHBondContact O-N 3.26Å; D402-R404 IonicContact OD2-NE 4Å; D402-G405 PolarHBondContact O-N 2.82Å; D402-N406 PolarHBondContact N-O 2.87Å | ||
| 403 | R | 65.6 | Low | 80.9 | Confident | 251 Ų | 251 | 77 Ų | 77 | 95% | 0.947 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 4.6 | -177.5 | -52.2 | -173 | -172 | -161.7 | 2.4 | 115 | ||
| 404 | R | 69.1 | Low | 81.1 | Confident | 210 Ų | 210 | 77.2 Ų | 77.2 | 79% | 0.792 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 6.5 | 176.9 | -56.4 | -179.8 | -172.7 | -112.3 | 2.4 | 113 | D402 N406 | D402-R404 PolarHBondContact O-N 3.26Å; D402-R404 IonicContact OD2-NE 4Å; R404-N406 VanDerWaalsContact C-N 3.34Å |
| 405 | G | 66.6 | Low | 81.3 | Confident | 33 Ų | 33 | 75.9 Ų | 75.9 | 34% | 0.34 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 78.1 | 14.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D402 | D402-G405 PolarHBondContact O-N 2.82Š|
| 406 | N | 73.2 | Confident | 81.5 | Confident | 100 Ų | 100 | 70.3 Ų | 70.3 | 54% | 0.535 | 35% | 0.353 | S | S | . | . | trans | -95.3 | 134.8 | 175 | -74.7 | -46.8 | 0 | 0 | 0 | 110.5 | S401 D402 R404 | S401-N406 CarbonylContact C-O 3.5Å; S401-N406 WeakPolarHBondContact CA-O 3.3Å; D402-N406 PolarHBondContact N-O 2.87Å; R404-N406 VanDerWaalsContact C-N 3.34Å | ||
| 407 | Y | 79.8 | Confident | 81.4 | Confident | 48 Ų | 48 | 66.9 Ų | 66.9 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 152.3 | 170.6 | 71.6 | -87 | 0 | 0 | 0 | 112.4 | P387 P392 W400 K418 D419 | P387-Y407 HydrophobicContact CB-CD1 3.86Å; P387-Y407 HydrophobicContact CB-CG 4.42Å; P387-Y407 HydrophobicContact CG-CD1 4.18Å; P387-Y407 HydrophobicContact CG-CG 4.49Å; P392-Y407 HydrophobicContact CB-CD2 4.04Å; P392-Y407 HydrophobicContact CB-CE2 3.69Å; P392-Y407 HydrophobicContact CG-CD1 4.45Å; P392-Y407 HydrophobicContact CG-CD2 3.6Å; P392-Y407 HydrophobicContact CG-CE2 3.81Å; P392-Y407 HydrophobicContact CG-CG 3.97Å; W400-Y407 CarbonylContact O-C 3.39Å; W400-Y407 WeakPolarHBondContact O-CA 3.32Å; Y407-K418 PolarHBondContact OH-NZ 2.8Å; Y407-D419 WeakPolarHBondContact CE2-OD1 3.48Å; Y407-D419 PolarHBondContact OH-OD1 2.97Å |
| 408 | N | 82.4 | Confident | 81.3 | Confident | 54 Ų | 54 | 71.9 Ų | 71.9 | 29% | 0.289 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.9 | 171 | -70.6 | -59.9 | 0 | 0 | 0 | 109.9 | W400 | W400-N408 HydrophobicContact CD2-CB 4.06Å; W400-N408 HydrophobicContact CH2-CB 4.35Å; W400-N408 WeakPolarHBondContact CH2-ND2 3.37Å; W400-N408 HydrophobicContact CZ2-CB 3.69Å; W400-N408 WeakPolarHBondContact CZ2-ND2 3.41Å; W400-N408 PolarHBondContact N-O 3.05Å; W400-N408 PolarHBondContact O-N 2.79Å |
| 409 | C | 85.4 | Confident | 81.2 | Confident | 10 Ų | 10 | 70.7 Ų | 70.7 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126.3 | 174.6 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | C393 S398 K418 K502 | C393-C409 VanDerWaalsContact CA-SG 3.55Å; C393-C409 HydrophobicContact CB-CB 3.77Å; C393-C409 WeakPolarHBondContact CB-SG 3.45Å; C393-C409 VanDerWaalsContact SG-CA 3.57Å; C393-C409 WeakPolarHBondContact SG-CB 3.42Å; C393-C409 CovalentContact SG-SG 2.02Å; C393-C409 PolarHBondContact SG-SG 3.32Å; S398-C409 WeakPolarHBondContact O-CA 3.31Å; C409-K418 WeakPolarHBondContact CB-O 3.4Å; C409-K418 PolarHBondContact SG-O 2.94Å; C409-K418 VanDerWaalsContact SG-O 3.32Å; C409-K502 PolarHBondContact O-NZ 3.17Å |
| 410 | V | 86.2 | Confident | 81.2 | Confident | 80 Ų | 80 | 68.6 Ų | 68.6 | 49% | 0.485 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 114.3 | 165.3 | -178.7 | 0 | 0 | 0 | 0 | 107.6 | G397 S398 | G397-V410 CarbonylContact C-O 3.42Å; G397-V410 WeakPolarHBondContact CA-O 3.38Å; S398-V410 PolarHBondContact N-O 3.43Å; S398-V410 PolarHBondContact O-N 3.27Å |
| 411 | C | 87.8 | Confident | 81.3 | Confident | 19 Ų | 19 | 68.3 Ų | 68.3 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 150.2 | -172 | -59.7 | 0 | 0 | 0 | 0 | 112.8 | L415 C420 K502 | C411-L415 HydrophobicContact CB-CB 4.2Å; C411-C420 WeakPolarHBondContact CA-SG 3.15Å; C411-C420 HydrophobicContact CB-CB 3.87Å; C411-C420 WeakPolarHBondContact CB-SG 3Å; C411-C420 WeakPolarHBondContact SG-CA 3.45Å; C411-C420 WeakPolarHBondContact SG-CB 3.3Å; C411-C420 CovalentContact SG-SG 2.04Å; C411-C420 PolarHBondContact SG-SG 2.86Å; C411-K502 PolarHBondContact SG-NZ 2.85Å |
| 412 | K | 88.4 | Confident | 81.6 | Confident | 120 Ų | 120 | 71.2 Ų | 71.2 | 52% | 0.522 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 154.2 | 170.8 | -69.7 | 173.4 | 178.1 | 174.1 | 0 | 110.5 | T395 R396 G414 L415 | T395-K412 WeakPolarHBondContact O-CE 3.44Å; T395-K412 PolarHBondContact O-NZ 2.92Å; R396-K412 WeakPolarHBondContact O-CB 3.45Å; R396-K412 WeakPolarHBondContact O-CG 3.22Å; R396-K412 PolarHBondContact O-N 2.96Å; R396-K412 VanDerWaalsContact O-N 3.14Å; K412-G414 PolarHBondContact O-N 2.81Å; K412-L415 HydrophobicContact CB-CD1 4.44Å; K412-L415 WeakPolarHBondContact O-CB 3.47Å; K412-L415 PolarHBondContact O-N 2.91Å |
| 413 | V | 88.4 | Confident | 82 | Confident | 86 Ų | 86 | 72.9 Ų | 72.9 | 52% | 0.521 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 131.4 | 179.1 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | S509 Q510 | V413-S509 VanDerWaalsContact CG1-O 3.28Å; V413-S509 WeakPolarHBondContact CG1-O 3.12Å; V413-Q510 HydrophobicContact CG1-CG 4.33Å |
| 414 | G | 85.5 | Confident | 83 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 9% | 0.093 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | 0.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K412 L424 T508 | K412-G414 PolarHBondContact O-N 2.81Å; G414-L424 PolarHBondContact O-N 2.91Å; G414-T508 PolarHBondContact N-O 2.92Å |
| 415 | L | 87.7 | Confident | 83.7 | Confident | 22 Ų | 22 | 56.9 Ų | 56.9 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 154.2 | -178 | -53.1 | -176.4 | 0 | 0 | 0 | 112.3 | R396 C411 K412 K422 D423 | R396-L415 HydrophobicContact CB-CD1 3.64Å; R396-L415 HydrophobicContact CG-CD1 3.81Å; R396-L415 VanDerWaalsContact NH2-CD2 3.35Å; R396-L415 WeakPolarHBondContact O-CD1 3.23Å; C411-L415 HydrophobicContact CB-CB 4.2Å; K412-L415 HydrophobicContact CB-CD1 4.44Å; K412-L415 WeakPolarHBondContact O-CB 3.47Å; K412-L415 PolarHBondContact O-N 2.91Å; L415-K422 WeakPolarHBondContact CA-O 3.38Å; L415-D423 HydrophobicContact CD2-CB 4.46Å; L415-D423 WeakPolarHBondContact CD2-OD1 3.32Å |
| 416 | T | 86.6 | Confident | 84.7 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 165.5 | -178.8 | 180 | 0 | 0 | 0 | 0 | 111 | C420 E421 K422 L424 V453 D507 | T416-C420 CarbonylContact O-C 3.59Å; T416-E421 PolarHBondContact O-N 3.02Å; T416-K422 HydrophobicContact CG2-CB 3.88Å; T416-K422 PolarHBondContact N-O 2.78Å; T416-K422 PolarHBondContact O-N 2.92Å; T416-L424 HydrophobicContact CG2-CB 3.78Å; T416-L424 HydrophobicContact CG2-CD1 4.4Å; T416-V453 HydrophobicContact CG2-CG1 3.8Å; T416-D507 VanDerWaalsContact CA-OD2 3.3Å; T416-D507 WeakPolarHBondContact CA-OD2 3.41Å; T416-D507 PolarHBondContact OG1-OD2 3.06Å |
| 417 | G | 82.8 | Confident | 85.3 | Confident | 16 Ų | 16 | 53.3 Ų | 53.3 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | S | Bend | trans | 123.8 | -169.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E421 K502 | G417-E421 VanDerWaalsContact CA-OE2 3.3Å; G417-E421 WeakPolarHBondContact CA-OE2 3.05Å; G417-K502 WeakPolarHBondContact O-CE 3.03Å; G417-K502 PolarHBondContact O-NZ 2.05Å |
| 418 | K | 82.9 | Confident | 85.5 | Confident | 116 Ų | 116 | 54.5 Ų | 54.5 | 50% | 0.504 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -81.6 | -41.1 | 176 | -167.9 | -158.6 | 173.3 | -161 | 0 | 110.6 | Y407 C409 E421 | Y407-K418 PolarHBondContact OH-NZ 2.8Å; C409-K418 WeakPolarHBondContact CB-O 3.4Å; C409-K418 PolarHBondContact SG-O 2.94Å; C409-K418 VanDerWaalsContact SG-O 3.32Å; K418-E421 PolarHBondContact N-OE2 2.04Å |
| 419 | D | 84.8 | Confident | 85.5 | Confident | 55 Ų | 55 | 53.9 Ų | 53.9 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -110.5 | 13.2 | -174.4 | -47.6 | -39.6 | 0 | 0 | 0 | 110.5 | Y407 E421 | Y407-D419 WeakPolarHBondContact CE2-OD1 3.48Å; Y407-D419 PolarHBondContact OH-OD1 2.97Å; D419-E421 PolarHBondContact N-OE2 2.86Å; D419-E421 PolarHBondContact O-N 2.85Å |
| 420 | C | 86.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | S | Bend | trans | 59.2 | 32.7 | -169.6 | -50.4 | 0 | 0 | 0 | 0 | 113 | R396 C411 T416 K422 | R396-C420 HydrophobicContact CB-CB 4.02Å; R396-C420 VanDerWaalsContact CZ-O 3.31Å; R396-C420 PolarHBondContact NE-O 2.86Å; R396-C420 PolarHBondContact NH2-O 2.04Å; C411-C420 WeakPolarHBondContact CA-SG 3.15Å; C411-C420 HydrophobicContact CB-CB 3.87Å; C411-C420 WeakPolarHBondContact CB-SG 3Å; C411-C420 WeakPolarHBondContact SG-CA 3.45Å; C411-C420 WeakPolarHBondContact SG-CB 3.3Å; C411-C420 CovalentContact SG-SG 2.04Å; C411-C420 PolarHBondContact SG-SG 2.86Å; T416-C420 CarbonylContact O-C 3.59Å; C420-K422 VanDerWaalsContact C-N 3.33Å; C420-K422 PolarHBondContact O-N 3.46Å |
| 421 | E | 84.9 | Confident | 85.4 | Confident | 84 Ų | 84 | 55.1 Ų | 55.1 | 39% | 0.393 | 30% | 0.301 | S | S | . | . | trans | -79.7 | -10.5 | -170.9 | 77.7 | -61.7 | 158.1 | 0 | 0 | 114.3 | T416 G417 K418 D419 | T416-E421 PolarHBondContact O-N 3.02Å; G417-E421 VanDerWaalsContact CA-OE2 3.3Å; G417-E421 WeakPolarHBondContact CA-OE2 3.05Å; K418-E421 PolarHBondContact N-OE2 2.04Å; D419-E421 PolarHBondContact N-OE2 2.86Å; D419-E421 PolarHBondContact O-N 2.85Å | ||
| 422 | K | 83.8 | Confident | 85.3 | Confident | 112 Ų | 112 | 57.1 Ų | 57.1 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 151 | -178.3 | -66.2 | 165.1 | -169.7 | 158.2 | 0 | 110.9 | L415 T416 C420 | L415-K422 WeakPolarHBondContact CA-O 3.38Å; T416-K422 HydrophobicContact CG2-CB 3.88Å; T416-K422 PolarHBondContact N-O 2.78Å; T416-K422 PolarHBondContact O-N 2.92Å; C420-K422 VanDerWaalsContact C-N 3.33Å; C420-K422 PolarHBondContact O-N 3.46Å |
| 423 | D | 84.4 | Confident | 85.2 | Confident | 100 Ų | 100 | 55.1 Ų | 55.1 | 54% | 0.535 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 138.5 | 175.3 | -53.7 | -32.6 | 0 | 0 | 0 | 109.5 | R396 L415 | R396-D423 IonicContact CZ-OD1 2.91Å; R396-D423 IonicContact NH1-OD1 3.83Å; R396-D423 PolarHBondContact NH1-OD1 3.04Å; R396-D423 VanDerWaalsContact NH1-OD1 3.12Å; R396-D423 IonicContact NH2-OD1 2.74Å; R396-D423 PolarHBondContact NH2-OD1 3.49Å; L415-D423 HydrophobicContact CD2-CB 4.46Å; L415-D423 WeakPolarHBondContact CD2-OD1 3.32Å |
| 424 | L | 86.1 | Confident | 85 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | trans | -109.6 | 93.6 | -179.9 | -178.1 | 57.5 | 0 | 0 | 0 | 108.8 | G414 T416 K500 D507 S509 | G414-L424 PolarHBondContact O-N 2.91Å; T416-L424 HydrophobicContact CG2-CB 3.78Å; T416-L424 HydrophobicContact CG2-CD1 4.4Å; L424-K500 HydrophobicContact CD2-CB 4.38Å; L424-D507 HydrophobicContact CD2-CB 3.88Å; L424-S509 WeakPolarHBondContact O-CA 3.49Å; L424-S509 WeakPolarHBondContact O-CB 3.44Å | ||
| 425 | L | 84.8 | Confident | 85.2 | Confident | 114 Ų | 114 | 56.4 Ų | 56.4 | 60% | 0.597 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -75 | 147.1 | -175.8 | -56.8 | 177.3 | 0 | 0 | 0 | 112 | S498 | L425-S498 WeakPolarHBondContact O-CB 2.98Å; L425-S498 PolarHBondContact O-OG 3.13Å |
| 426 | P | 86.6 | Confident | 85.4 | Confident | 47 Ų | 47 | 57.1 Ų | 57.1 | 31% | 0.305 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 166.5 | 164.9 | 25.4 | -32.6 | 0 | 0 | 0 | 111.9 | S428 Q510 A512 | P426-S428 PolarHBondContact O-N 3Å; P426-Q510 WeakPolarHBondContact CB-O 3.46Å; P426-A512 HydrophobicContact CB-CB 3.96Å |
| 427 | P | 85.5 | Confident | 85.6 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 7% | 0.065 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 124.8 | 165.7 | 23.7 | -33.6 | 0 | 0 | 0 | 110.7 | W444 F457 T496 | P427-W444 HydrophobicContact CB-CB 3.76Å; P427-W444 HydrophobicContact CB-CD2 4.26Å; P427-W444 HydrophobicContact CB-CG 3.59Å; P427-F457 HydrophobicContact CB-CD1 4.34Å; P427-F457 HydrophobicContact CB-CE1 3.83Å; P427-F457 HydrophobicContact CB-CZ 4.48Å; P427-F457 HydrophobicContact CG-CD1 4.34Å; P427-F457 HydrophobicContact CG-CE1 4.29Å; P427-T496 VanDerWaalsContact CG-OG1 3.23Å; P427-T496 WeakPolarHBondContact CG-OG1 3.35Å |
| 428 | S | 84 | Confident | 86 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 51% | 0.51 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 157.6 | 176.9 | 63.5 | 0 | 0 | 0 | 0 | 111.4 | P426 L430 W444 D445 | P426-S428 PolarHBondContact O-N 3Å; S428-L430 PolarHBondContact O-N 2.7Å; S428-W444 WeakPolarHBondContact O-CB 3.48Å; S428-D445 VanDerWaalsContact CB-OD2 3.3Å; S428-D445 WeakPolarHBondContact CB-OD2 3.48Å; S428-D445 PolarHBondContact O-N 3.48Å; S428-D445 WeakPolarHBondContact OG-CB 3.39Å; S428-D445 PolarHBondContact OG-OD2 2.77Å |
| 429 | G | 82.1 | Confident | 86.4 | Confident | 42 Ų | 42 | 58.6 Ų | 58.6 | 43% | 0.433 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 26.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | H431 D445 | G429-H431 PolarHBondContact O-N 2.93Å; G429-H431 VanDerWaalsContact O-N 3.12Å; G429-H431 PolarHBondContact O-ND1 3.16Å; G429-D445 WeakPolarHBondContact CA-OD2 3.3Å; G429-D445 PolarHBondContact N-OD2 2.85Å |
| 430 | L | 85 | Confident | 86.8 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | trans | -57 | 116.7 | 176.7 | -178.1 | 70.4 | 0 | 0 | 0 | 110.5 | S428 R443 W444 T496 A512 | S428-L430 PolarHBondContact O-N 2.7Å; L430-R443 CarbonylContact C-O 3.59Å; L430-R443 WeakPolarHBondContact CA-O 3.24Å; L430-W444 HydrophobicContact CD1-CE3 3.94Å; L430-T496 HydrophobicContact CD1-CG2 3.88Å; L430-T496 HydrophobicContact CD2-CG2 4.08Å; L430-A512 HydrophobicContact CB-CB 4.34Å; L430-A512 HydrophobicContact CD2-CB 3.75Å | ||
| 431 | H | 84.5 | Confident | 87.1 | Confident | 72 Ų | 72 | 58.4 Ų | 58.4 | 33% | 0.333 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 159.5 | 178 | 60.3 | -83.1 | 0 | 0 | 0 | 111.8 | G429 R443 | G429-H431 PolarHBondContact O-N 2.93Å; G429-H431 VanDerWaalsContact O-N 3.12Å; G429-H431 PolarHBondContact O-ND1 3.16Å; H431-R443 PolarHBondContact N-O 3.42Å; H431-R443 PolarHBondContact ND1-O 3.11Å; H431-R443 WeakPolarHBondContact NE2-CD 3.26Å; H431-R443 PolarHBondContact O-N 2.88Å |
| 432 | V | 85.8 | Confident | 87.4 | Confident | 61 Ų | 61 | 54.5 Ų | 54.5 | 37% | 0.37 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 124.5 | 177.4 | -165.5 | 0 | 0 | 0 | 0 | 107.9 | V435 V440 L442 I516 | V432-V435 HydrophobicContact CG1-CG2 3.59Å; V432-V440 HydrophobicContact CG1-CG1 4.19Å; V432-L442 HydrophobicContact CG2-CD2 4.46Å; V432-I516 HydrophobicContact CB-CD1 4.29Å; V432-I516 HydrophobicContact CG1-CD1 3.92Å; V432-I516 HydrophobicContact CG2-CD1 3.34Å; V432-I516 HydrophobicContact CG2-CG1 4.04Å |
| 433 | L | 85.9 | Confident | 87.7 | Confident | 78 Ų | 78 | 54.8 Ų | 54.8 | 41% | 0.408 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -42.2 | 176.7 | -71.5 | 178.2 | 0 | 0 | 0 | 112 | E441 R443 | L433-E441 HydrophobicContact CB-CB 4.3Å; L433-E441 HydrophobicContact CB-CG 4.09Å; L433-E441 HydrophobicContact CD1-CG 4.22Å; L433-E441 PolarHBondContact N-O 3.28Å; L433-R443 HydrophobicContact CD1-CB 3.71Å; L433-R443 HydrophobicContact CD1-CG 4.4Å; L433-R443 HydrophobicContact CD2-CB 4.45Å; L433-R443 HydrophobicContact CG-CB 3.85Å |
| 434 | R | 86 | Confident | 88 | Confident | 87 Ų | 87 | 50.1 Ų | 50.1 | 33% | 0.328 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 143.2 | -170.7 | -165.4 | 170.7 | 60.9 | 94.3 | 5.4 | 110.7 | E436 E439 E441 | R434-E436 WeakPolarHBondContact CD-OE1 3.41Å; R434-E436 HydrophobicContact CG-CG 4.36Å; R434-E436 WeakPolarHBondContact CG-OE1 3.02Å; R434-E436 IonicContact CZ-OE1 2.8Å; R434-E436 IonicContact NH1-OE1 2.81Å; R434-E436 PolarHBondContact NH1-OE1 2.03Å; R434-E439 IonicContact CZ-OE2 3.12Å; R434-E439 IonicContact NH1-OE2 3.47Å; R434-E439 IonicContact NH2-OE2 2.74Å; R434-E439 PolarHBondContact NH2-OE2 2.97Å; R434-E441 HydrophobicContact CB-CB 3.8Å; R434-E441 IonicContact CZ-OE2 3.26Å; R434-E441 IonicContact NE-OE2 2.73Å; R434-E441 PolarHBondContact NE-OE2 2.88Å; R434-E441 IonicContact NH2-OE2 3.6Å; R434-E441 PolarHBondContact O-N 3.07Å |
| 435 | V | 89.8 | Confident | 87.9 | Confident | 35 Ų | 35 | 53.4 Ų | 53.4 | 21% | 0.212 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 119.4 | 177.3 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | V432 V440 I516 R517 R519 | V432-V435 HydrophobicContact CG1-CG2 3.59Å; V435-V440 HydrophobicContact CG1-CG2 4.27Å; V435-I516 HydrophobicContact CG1-CG2 4.21Å; V435-I516 HydrophobicContact CG2-CG2 3.72Å; V435-R517 WeakPolarHBondContact CG1-O 3.39Å; V435-R519 PolarHBondContact O-NE 3.49Å; V435-R519 PolarHBondContact O-NH2 2.03Å; V435-R519 VanDerWaalsContact O-NH2 3.16Å |
| 436 | E | 91.8 | Very high | 87.3 | Confident | 36 Ų | 36 | 53.9 Ų | 53.9 | 17% | 0.168 | 28% | 0.282 | C | S | . | . | trans | -119.2 | -169.2 | 177.2 | -53.8 | -60.9 | 177.4 | 0 | 0 | 110.9 | R434 E439 R519 H608 | R434-E436 WeakPolarHBondContact CD-OE1 3.41Å; R434-E436 HydrophobicContact CG-CG 4.36Å; R434-E436 WeakPolarHBondContact CG-OE1 3.02Å; R434-E436 IonicContact CZ-OE1 2.8Å; R434-E436 IonicContact NH1-OE1 2.81Å; R434-E436 PolarHBondContact NH1-OE1 2.03Å; E436-E439 HydrophobicContact CB-CB 4.28Å; E436-E439 HydrophobicContact CG-CB 4.49Å; E436-E439 PolarHBondContact N-O 2.92Å; E436-R519 WeakPolarHBondContact O-CB 3.44Å; E436-R519 PolarHBondContact O-N 2.89Å; E436-R519 IonicContact OE2-NE 2.62Å; E436-H608 IonicContact OE2-CD2 2.62Å; E436-H608 IonicContact OE2-CE1 3.56Å; E436-H608 PolarHBondContact OE2-CE1 2.81Å; E436-H608 IonicContact OE2-NE2 3.66Å; E436-H608 PolarHBondContact OE2-NE2 2.77Å | ||
| 437 | E | 90.3 | Very high | 86.2 | Confident | 42 Ų | 42 | 53.1 Ų | 53.1 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -70.7 | -44.4 | -177.2 | -59.6 | -178.6 | -175.9 | 0 | 0 | 111.3 | P488 R519 | E437-P488 HydrophobicContact CB-CB 4.25Å; E437-P488 HydrophobicContact CB-CG 4.07Å; E437-P488 VanDerWaalsContact O-CA 3.24Å; E437-P488 WeakPolarHBondContact O-CA 3.28Å; E437-R519 WeakPolarHBondContact CA-O 3.39Å; E437-R519 HydrophobicContact CG-CB 3.92Å; E437-R519 HydrophobicContact CG-CG 4.04Å |
| 438 | N | 90.4 | Very high | 85 | Confident | 87 Ų | 87 | 57.3 Ų | 57.3 | 47% | 0.465 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -120.5 | -0.8 | -178 | 66.4 | -29.5 | 0 | 0 | 0 | 114.5 | L486 | N438-L486 WeakPolarHBondContact CA-O 3.44Å; N438-L486 WeakPolarHBondContact O-CB 3.01Å; N438-L486 WeakPolarHBondContact O-CG 3.3Å; N438-L486 PolarHBondContact O-N 3.19Å; N438-L486 VanDerWaalsContact O-N 3.09Å |
| 439 | E | 92.6 | Very high | 83.6 | Confident | 40 Ų | 40 | 62 Ų | 62 | 19% | 0.187 | 31% | 0.312 | C | S | . | . | trans | -127.4 | 146.3 | -179.3 | -62.7 | -164.9 | 144.6 | 0 | 0 | 113.1 | R434 E436 V482 L483 Q484 | R434-E439 IonicContact CZ-OE2 3.12Å; R434-E439 IonicContact NH1-OE2 3.47Å; R434-E439 IonicContact NH2-OE2 2.74Å; R434-E439 PolarHBondContact NH2-OE2 2.97Å; E436-E439 HydrophobicContact CB-CB 4.28Å; E436-E439 HydrophobicContact CG-CB 4.49Å; E436-E439 PolarHBondContact N-O 2.92Å; E439-V482 HydrophobicContact CB-CG1 4.13Å; E439-V482 HydrophobicContact CG-CG1 4.22Å; E439-L483 VanDerWaalsContact CA-O 3.26Å; E439-L483 WeakPolarHBondContact CA-O 3.03Å; E439-Q484 HydrophobicContact CG-CG 4.35Å; E439-Q484 PolarHBondContact OE1-NE2 3.03Å | ||
| 440 | V | 92.4 | Very high | 82 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 125.5 | 167.5 | 169.2 | 0 | 0 | 0 | 0 | 109.3 | V432 V435 L442 V482 L483 L486 I494 I516 T518 | V432-V440 HydrophobicContact CG1-CG1 4.19Å; V435-V440 HydrophobicContact CG1-CG2 4.27Å; V440-L442 HydrophobicContact CG1-CD2 3.87Å; V440-L442 HydrophobicContact CG1-CG 4.3Å; V440-V482 WeakPolarHBondContact O-CA 3.36Å; V440-L483 HydrophobicContact CB-CB 4.34Å; V440-L483 HydrophobicContact CB-CD1 4.32Å; V440-L483 HydrophobicContact CB-CG 4.48Å; V440-L483 HydrophobicContact CG1-CD1 4.49Å; V440-L483 PolarHBondContact N-O 3.48Å; V440-L483 PolarHBondContact O-N 3.04Å; V440-L486 HydrophobicContact CB-CD1 3.92Å; V440-L486 HydrophobicContact CG2-CD1 3.59Å; V440-I494 HydrophobicContact CG1-CD1 4.42Å; V440-I516 HydrophobicContact CG1-CD1 3.72Å; V440-I516 HydrophobicContact CG1-CG2 4.31Å; V440-I516 HydrophobicContact CG2-CG2 4.07Å; V440-T518 HydrophobicContact CG2-CG2 4.16Å |
| 441 | E | 91.9 | Very high | 80.5 | Confident | 49 Ų | 49 | 66.3 Ų | 66.3 | 23% | 0.229 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 119.3 | -178.7 | -169.9 | 172.7 | 164.3 | 0 | 0 | 110.6 | L433 R434 V482 | L433-E441 HydrophobicContact CB-CB 4.3Å; L433-E441 HydrophobicContact CB-CG 4.09Å; L433-E441 HydrophobicContact CD1-CG 4.22Å; L433-E441 PolarHBondContact N-O 3.28Å; R434-E441 HydrophobicContact CB-CB 3.8Å; R434-E441 IonicContact CZ-OE2 3.26Å; R434-E441 IonicContact NE-OE2 2.73Å; R434-E441 PolarHBondContact NE-OE2 2.88Å; R434-E441 IonicContact NH2-OE2 3.6Å; R434-E441 PolarHBondContact O-N 3.07Å; E441-V482 HydrophobicContact CB-CG2 4.37Å; E441-V482 HydrophobicContact CG-CG2 4Å |
| 442 | L | 91.7 | Very high | 79.2 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 145.7 | -177.4 | -56.8 | 173.7 | 0 | 0 | 0 | 110.1 | V432 V440 W444 V459 T480 H481 L483 I494 I516 | V432-L442 HydrophobicContact CG2-CD2 4.46Å; V440-L442 HydrophobicContact CG1-CD2 3.87Å; V440-L442 HydrophobicContact CG1-CG 4.3Å; L442-W444 HydrophobicContact CB-CZ3 4.13Å; L442-V459 HydrophobicContact CD1-CG1 3.93Å; L442-T480 VanDerWaalsContact O-CA 3.28Å; L442-T480 WeakPolarHBondContact O-CA 3.48Å; L442-H481 PolarHBondContact N-O 3.05Å; L442-H481 PolarHBondContact O-N 3.09Å; L442-L483 HydrophobicContact CD1-CD1 4.19Å; L442-L483 HydrophobicContact CD1-CD2 4.26Å; L442-L483 HydrophobicContact CD1-CG 4.15Å; L442-I494 HydrophobicContact CD1-CG2 3.83Å; L442-I516 HydrophobicContact CD2-CD1 3.9Å |
| 443 | R | 90.1 | Very high | 78.2 | Confident | 119 Ų | 119 | 73.3 Ų | 73.3 | 45% | 0.449 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 150.2 | 172 | -179.4 | 171 | 170.6 | -168.3 | -0.8 | 111.1 | L430 H431 L433 S479 T480 | L430-R443 CarbonylContact C-O 3.59Å; L430-R443 WeakPolarHBondContact CA-O 3.24Å; H431-R443 PolarHBondContact N-O 3.42Å; H431-R443 PolarHBondContact ND1-O 3.11Å; H431-R443 WeakPolarHBondContact NE2-CD 3.26Å; H431-R443 PolarHBondContact O-N 2.88Å; L433-R443 HydrophobicContact CD1-CB 3.71Å; L433-R443 HydrophobicContact CD1-CG 4.4Å; L433-R443 HydrophobicContact CD2-CB 4.45Å; L433-R443 HydrophobicContact CG-CB 3.85Å; R443-S479 CarbonylContact C-O 3.55Å; R443-S479 VanDerWaalsContact CA-O 3.3Å; R443-S479 WeakPolarHBondContact CA-O 3.44Å; R443-S479 WeakPolarHBondContact CG-O 3.04Å; R443-T480 HydrophobicContact CB-CG2 3.97Å; R443-T480 HydrophobicContact CG-CG2 3.81Å |
| 444 | W | 90.1 | Very high | 77.9 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | trans | -137.1 | 173.4 | 170.6 | 48.7 | 97.3 | 0 | 0 | 0 | 109.8 | P427 S428 L430 L442 F457 V459 L474 R478 S479 H481 | P427-W444 HydrophobicContact CB-CB 3.76Å; P427-W444 HydrophobicContact CB-CD2 4.26Å; P427-W444 HydrophobicContact CB-CG 3.59Å; S428-W444 WeakPolarHBondContact O-CB 3.48Å; L430-W444 HydrophobicContact CD1-CE3 3.94Å; L442-W444 HydrophobicContact CB-CZ3 4.13Å; W444-F457 HydrophobicContact CZ2-CD2 4.05Å; W444-F457 HydrophobicContact CZ2-CE2 4.41Å; W444-F457 HydrophobicContact CZ2-CG 4.39Å; W444-F457 AromaticContact NE1-CD2 3.84Å; W444-F457 AromaticContact NE1-CE2 3.36Å; W444-F457 AromaticContact NE1-CZ 3.45Å; W444-V459 HydrophobicContact CH2-CG2 4.45Å; W444-L474 HydrophobicContact CH2-CD1 3.66Å; W444-L474 HydrophobicContact CZ2-CD1 4.1Å; W444-R478 WeakPolarHBondContact CZ2-O 3.46Å; W444-R478 PolarHBondContact NE1-O 2.61Å; W444-S479 PolarHBondContact N-O 3Å; W444-H481 HydrophobicContact CH2-CB 3.83Å; W444-H481 HydrophobicContact CZ3-CB 4.17Å | ||
| 445 | D | 84.8 | Confident | 77.7 | Confident | 80 Ų | 80 | 67.7 Ų | 67.7 | 43% | 0.428 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 144.7 | 174.5 | -53.2 | -44.1 | 0 | 0 | 0 | 110 | S428 G429 | S428-D445 VanDerWaalsContact CB-OD2 3.3Å; S428-D445 WeakPolarHBondContact CB-OD2 3.48Å; S428-D445 PolarHBondContact O-N 3.48Å; S428-D445 WeakPolarHBondContact OG-CB 3.39Å; S428-D445 PolarHBondContact OG-OD2 2.77Å; G429-D445 WeakPolarHBondContact CA-OD2 3.3Å; G429-D445 PolarHBondContact N-OD2 2.85Å |
| 446 | Q | 72.2 | Confident | 77.7 | Confident | 124 Ų | 124 | 67.9 Ų | 67.9 | 58% | 0.579 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 128.5 | 174.4 | -170.4 | 172.3 | 3.1 | 0 | 0 | 109.2 | D448 | Q446-D448 PolarHBondContact O-N 3.38Š|
| 447 | P | 63.5 | Low | 77.7 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 21% | 0.208 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 125.6 | -178.9 | 24.2 | -33.2 | 0 | 0 | 0 | 110.8 | H451 L454 F457 K476 | P447-H451 HydrophobicContact CB-CB 4.19Å; P447-L454 HydrophobicContact CG-CD2 4.3Å; P447-F457 HydrophobicContact CG-CZ 4.27Å; P447-K476 WeakPolarHBondContact CG-O 3.36Å |
| 448 | D | 59.4 | Low | 77.8 | Confident | 98 Ų | 98 | 64.4 Ų | 64.4 | 52% | 0.524 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 154.8 | -179.4 | 173.5 | 46.1 | 0 | 0 | 0 | 112 | Q446 S450 H451 | Q446-D448 PolarHBondContact O-N 3.38Å; D448-S450 PolarHBondContact O-N 3.2Å; D448-S450 WeakPolarHBondContact OD2-CB 3.41Å; D448-S450 PolarHBondContact OD2-OG 2.88Å; D448-H451 WeakPolarHBondContact O-CB 3.5Å; D448-H451 PolarHBondContact O-N 2.89Å |
| 449 | H | 54.9 | Low | 78 | Confident | 170 Ų | 170 | 60.3 Ų | 60.3 | 79% | 0.787 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -15.7 | -173.9 | -65.3 | -42.6 | 0 | 0 | 0 | 114.2 | H451 | H449-H451 VanDerWaalsContact C-N 3.34Š|
| 450 | S | 48.7 | Very low | 78 | Confident | 80 Ų | 80 | 60 Ų | 60 | 56% | 0.559 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -28.3 | 168.7 | 55.5 | 0 | 0 | 0 | 0 | 113.9 | D448 R452 | D448-S450 PolarHBondContact O-N 3.2Å; D448-S450 WeakPolarHBondContact OD2-CB 3.41Å; D448-S450 PolarHBondContact OD2-OG 2.88Å; S450-R452 PolarHBondContact O-N 2.88Å |
| 451 | H | 54.6 | Low | 78.1 | Confident | 98 Ų | 98 | 60.3 Ų | 60.3 | 45% | 0.454 | 30% | 0.295 | S | S | . | . | trans | -78 | 41.5 | -174.3 | -69.5 | -96.3 | 0 | 0 | 0 | 114.8 | P447 D448 H449 V453 L454 | P447-H451 HydrophobicContact CB-CB 4.19Å; D448-H451 WeakPolarHBondContact O-CB 3.5Å; D448-H451 PolarHBondContact O-N 2.89Å; H449-H451 VanDerWaalsContact C-N 3.34Å; H451-V453 PolarHBondContact O-N 2.03Å; H451-L454 PolarHBondContact O-N 2.81Å | ||
| 452 | R | 56.3 | Low | 78 | Confident | 222 Ų | 222 | 59 Ų | 59 | 84% | 0.838 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -13.2 | 172 | -64.7 | -172.3 | 179.5 | -164.6 | 0.6 | 114 | S450 | S450-R452 PolarHBondContact O-N 2.88Š|
| 453 | V | 64.8 | Low | 77.8 | Confident | 57 Ų | 57 | 60.4 Ų | 60.4 | 35% | 0.345 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -29.5 | 175.9 | -171.4 | 0 | 0 | 0 | 0 | 112.4 | T416 H451 K500 | T416-V453 HydrophobicContact CG2-CG1 3.8Å; H451-V453 PolarHBondContact O-N 2.03Å; V453-K500 HydrophobicContact CG1-CG 4.42Å; V453-K500 WeakPolarHBondContact O-CD 3.21Å; V453-K500 WeakPolarHBondContact O-CE 3.47Å; V453-K500 PolarHBondContact O-NZ 3.33Å |
| 454 | L | 78.9 | Confident | 77.4 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | trans | -67.7 | 137.8 | -179.2 | -170.8 | 64.7 | 0 | 0 | 0 | 112 | P447 H451 M456 F457 K476 | P447-L454 HydrophobicContact CG-CD2 4.3Å; H451-L454 PolarHBondContact O-N 2.81Å; L454-M456 WeakPolarHBondContact CD1-O 3.28Å; L454-F457 HydrophobicContact CD1-CE1 4.46Å; L454-F457 HydrophobicContact CD2-CD1 4.33Å; L454-F457 HydrophobicContact CD2-CD2 4.43Å; L454-F457 HydrophobicContact CD2-CE1 3.67Å; L454-F457 HydrophobicContact CD2-CE2 3.8Å; L454-F457 HydrophobicContact CD2-CZ 3.38Å; L454-K476 HydrophobicContact CB-CB 4.44Å; L454-K476 HydrophobicContact CD2-CB 3.71Å; L454-K476 HydrophobicContact CG-CB 3.87Å; L454-K476 WeakPolarHBondContact O-CD 3.34Å | ||
| 455 | S | 83.4 | Confident | 76.4 | Confident | 33 Ų | 33 | 62.6 Ų | 62.6 | 23% | 0.231 | 34% | 0.338 | C | S | . | . | trans | -100 | -47.6 | 168.7 | -69.9 | 0 | 0 | 0 | 0 | 111.9 | I499 K500 L501 | S455-I499 WeakPolarHBondContact CB-O 3.45Å; S455-I499 PolarHBondContact N-O 2.85Å; S455-K500 WeakPolarHBondContact OG-CD 3.41Å; S455-K500 PolarHBondContact OG-NZ 3.25Å; S455-L501 PolarHBondContact OG-N 3.43Å | ||
| 456 | M | 88.8 | Confident | 75.2 | Confident | 39 Ų | 39 | 67.2 Ų | 67.2 | 19% | 0.192 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 167.3 | -172.9 | 64.2 | -164.3 | -54.3 | 0 | 0 | 110.7 | L454 Y473 L474 I499 L501 | L454-M456 WeakPolarHBondContact CD1-O 3.28Å; M456-Y473 HydrophobicContact CE-CD1 3.7Å; M456-Y473 HydrophobicContact CE-CG 4.07Å; M456-L474 CarbonylContact C-O 3.57Å; M456-L474 WeakPolarHBondContact CA-O 3.18Å; M456-L474 VanDerWaalsContact CB-O 3.27Å; M456-L474 WeakPolarHBondContact CB-O 3.22Å; M456-I499 HydrophobicContact CG-CB 3.74Å; M456-I499 HydrophobicContact CG-CG2 4.05Å; M456-I499 PolarHBondContact N-O 2.9Å; M456-I499 PolarHBondContact O-N 2.87Å; M456-I499 HydrophobicContact SD-CG2 4.4Å; M456-L501 HydrophobicContact SD-CD1 4.11Å; M456-L501 HydrophobicContact SD-CD2 3.83Å; M456-L501 HydrophobicContact SD-CG 4.11Å |
| 457 | F | 91.2 | Very high | 75.1 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 158.9 | 164.3 | -58.4 | -77.3 | 0 | 0 | 0 | 110.3 | P427 W444 P447 L454 L474 R478 V497 | P427-F457 HydrophobicContact CB-CD1 4.34Å; P427-F457 HydrophobicContact CB-CE1 3.83Å; P427-F457 HydrophobicContact CB-CZ 4.48Å; P427-F457 HydrophobicContact CG-CD1 4.34Å; P427-F457 HydrophobicContact CG-CE1 4.29Å; W444-F457 HydrophobicContact CZ2-CD2 4.05Å; W444-F457 HydrophobicContact CZ2-CE2 4.41Å; W444-F457 HydrophobicContact CZ2-CG 4.39Å; W444-F457 AromaticContact NE1-CD2 3.84Å; W444-F457 AromaticContact NE1-CE2 3.36Å; W444-F457 AromaticContact NE1-CZ 3.45Å; P447-F457 HydrophobicContact CG-CZ 4.27Å; L454-F457 HydrophobicContact CD1-CE1 4.46Å; L454-F457 HydrophobicContact CD2-CD1 4.33Å; L454-F457 HydrophobicContact CD2-CD2 4.43Å; L454-F457 HydrophobicContact CD2-CE1 3.67Å; L454-F457 HydrophobicContact CD2-CE2 3.8Å; L454-F457 HydrophobicContact CD2-CZ 3.38Å; F457-L474 HydrophobicContact CB-CB 4.31Å; F457-L474 PolarHBondContact N-O 2.9Å; F457-L474 PolarHBondContact O-N 2.84Å; F457-R478 WeakPolarHBondContact CE2-O 3.33Å; F457-V497 CarbonylContact C-O 3.47Å; F457-V497 WeakPolarHBondContact CA-O 3.43Å |
| 458 | A | 93.2 | Very high | 75.9 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 2% | 0.017 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 140.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | T471 D472 Y473 T496 V497 I499 | A458-T471 HydrophobicContact CB-CG2 3.99Å; A458-D472 CarbonylContact C-O 3.53Å; A458-D472 WeakPolarHBondContact CA-O 3.48Å; A458-Y473 HydrophobicContact CB-CD1 3.69Å; A458-Y473 HydrophobicContact CB-CE1 3.73Å; A458-T496 WeakPolarHBondContact O-CA 3.45Å; A458-V497 HydrophobicContact CB-CG2 3.93Å; A458-V497 PolarHBondContact N-O 2.86Å; A458-V497 PolarHBondContact O-N 2.84Å; A458-I499 HydrophobicContact CB-CD1 3.6Å; A458-I499 HydrophobicContact CB-CG1 4.44Å |
| 459 | V | 94.7 | Very high | 77.3 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 110.9 | 178.6 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | L442 W444 Y461 T471 D472 L474 L483 I494 T496 | L442-V459 HydrophobicContact CD1-CG1 3.93Å; W444-V459 HydrophobicContact CH2-CG2 4.45Å; V459-Y461 HydrophobicContact CG1-CD1 4.48Å; V459-T471 CarbonylContact O-C 3.55Å; V459-T471 WeakPolarHBondContact O-CA 3.27Å; V459-D472 PolarHBondContact N-O 2.88Å; V459-D472 PolarHBondContact O-N 2.9Å; V459-L474 HydrophobicContact CG2-CD1 3.7Å; V459-L483 HydrophobicContact CG1-CD2 3.78Å; V459-I494 HydrophobicContact CG1-CG2 4.01Å; V459-T496 HydrophobicContact CB-CG2 4.4Å; V459-T496 HydrophobicContact CG1-CG2 4Å; V459-T496 HydrophobicContact CG2-CG2 3.89Å |
| 460 | T | 93.1 | Very high | 79 | Confident | 34 Ų | 34 | 63.1 Ų | 63.1 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 131 | -177.7 | -60.6 | 0 | 0 | 0 | 0 | 110.2 | P469 K470 T471 I494 S495 | T460-P469 HydrophobicContact CG2-CB 3.75Å; T460-K470 CarbonylContact C-O 3.52Å; T460-K470 VanDerWaalsContact CA-O 3.3Å; T460-K470 WeakPolarHBondContact CA-O 3.04Å; T460-T471 WeakPolarHBondContact CG2-OG1 3.44Å; T460-T471 WeakPolarHBondContact OG1-CG2 3.25Å; T460-T471 PolarHBondContact OG1-OG1 3.33Å; T460-I494 CarbonylContact O-C 3.57Å; T460-I494 WeakPolarHBondContact O-CA 2.98Å; T460-S495 PolarHBondContact N-O 2.69Å; T460-S495 PolarHBondContact O-N 2.74Å; T460-S495 PolarHBondContact O-OG 3.08Å |
| 461 | Y | 92.9 | Very high | 81.1 | Confident | 9 Ų | 9 | 61.6 Ų | 61.6 | 4% | 0.035 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 139.2 | -173.3 | 53.3 | -75.1 | 0 | 0 | 0 | 112.9 | V459 P469 K470 D472 L483 L486 N493 | V459-Y461 HydrophobicContact CG1-CD1 4.48Å; Y461-P469 WeakPolarHBondContact O-CA 3.28Å; Y461-K470 WeakPolarHBondContact CD1-O 3.42Å; Y461-K470 HydrophobicContact CD2-CB 4.34Å; Y461-K470 HydrophobicContact CE1-CB 4.2Å; Y461-K470 HydrophobicContact CE1-CD 4.42Å; Y461-K470 HydrophobicContact CE1-CG 4.07Å; Y461-K470 HydrophobicContact CE2-CB 4.05Å; Y461-K470 HydrophobicContact CE2-CD 3.72Å; Y461-K470 HydrophobicContact CE2-CG 4.11Å; Y461-K470 PolarHBondContact N-O 3.17Å; Y461-K470 PolarHBondContact O-N 3.46Å; Y461-K470 VanDerWaalsContact OH-CD 3.3Å; Y461-K470 WeakPolarHBondContact OH-CD 3.39Å; Y461-K470 WeakPolarHBondContact OH-CE 3.48Å; Y461-K470 PolarHBondContact OH-NZ 2.93Å; Y461-D472 HydrophobicContact CE1-CB 4.45Å; Y461-D472 WeakPolarHBondContact CE1-OD2 3.04Å; Y461-D472 PolarHBondContact OH-OD1 3.43Å; Y461-D472 PolarHBondContact OH-OD2 2.03Å; Y461-L483 HydrophobicContact CD1-CD1 4.32Å; Y461-L483 HydrophobicContact CD1-CD2 3.83Å; Y461-L483 HydrophobicContact CD2-CD1 4.23Å; Y461-L483 HydrophobicContact CE1-CD2 3.66Å; Y461-L483 HydrophobicContact CE2-CB 4.38Å; Y461-L483 HydrophobicContact CE2-CD2 4.5Å; Y461-L483 HydrophobicContact CG-CD1 4.04Å; Y461-L483 HydrophobicContact CG-CD2 4.34Å; Y461-L486 HydrophobicContact CD2-CD2 3.68Å; Y461-L486 HydrophobicContact CE2-CD2 3.65Å; Y461-N493 WeakPolarHBondContact CA-O 3.21Å |
| 462 | A | 90.1 | Very high | 82.9 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 138.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P469 Y492 N493 | A462-P469 HydrophobicContact CB-CB 4.13Å; A462-Y492 WeakPolarHBondContact O-CA 2.82Å; A462-N493 PolarHBondContact N-O 2.83Å; A462-N493 VanDerWaalsContact N-O 3.11Å; A462-N493 PolarHBondContact O-N 2.76Å |
| 463 | P | 88.3 | Confident | 84.6 | Confident | 31 Ų | 31 | 55.3 Ų | 55.3 | 20% | 0.201 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 139 | 166 | 28.5 | -32.6 | 0 | 0 | 0 | 110.6 | G465 S467 M490 L491 Y492 | P463-G465 PolarHBondContact O-N 2.83Å; P463-S467 WeakPolarHBondContact CD-OG 3.18Å; P463-S467 WeakPolarHBondContact CG-OG 3.46Å; P463-S467 PolarHBondContact O-OG 2.86Å; P463-M490 HydrophobicContact CB-CB 4.49Å; P463-M490 HydrophobicContact CB-CE 4.22Å; P463-L491 WeakPolarHBondContact CA-O 3.01Å; P463-Y492 HydrophobicContact CB-CD1 4.32Å; P463-Y492 HydrophobicContact CB-CE1 4Å; P463-Y492 HydrophobicContact CB-CE2 4.41Å; P463-Y492 HydrophobicContact CG-CE1 4.11Å |
| 464 | L | 81.6 | Confident | 85.8 | Confident | 98 Ų | 98 | 53 Ų | 53 | 51% | 0.513 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 104.9 | 178.6 | -73.1 | 172.8 | 0 | 0 | 0 | 110.5 | L491 N493 L515 | L464-L491 HydrophobicContact CD1-CD2 3.81Å; L464-L491 HydrophobicContact CD1-CG 3.98Å; L464-L491 PolarHBondContact N-O 3.11Å; L464-N493 HydrophobicContact CD2-CB 4.16Å; L464-N493 HydrophobicContact CG-CB 4.44Å; L464-L515 HydrophobicContact CD1-CD2 3.92Å |
| 465 | G | 68.6 | Low | 86.1 | Confident | 70 Ų | 70 | 56.8 Ų | 56.8 | 72% | 0.722 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 162.1 | 35.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | P463 | P463-G465 PolarHBondContact O-N 2.83Š|
| 466 | N | 59 | Low | 86.1 | Confident | 176 Ų | 176 | 59.2 Ų | 59.2 | 94% | 0.941 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 44.5 | -178.9 | -158.8 | 40.2 | 0 | 0 | 0 | 115 | ||
| 467 | S | 71.8 | Confident | 85.7 | Confident | 47 Ų | 47 | 62.9 Ų | 62.9 | 33% | 0.329 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -95.9 | 157.3 | 174.2 | 62.4 | 0 | 0 | 0 | 0 | 113.2 | P463 | P463-S467 WeakPolarHBondContact CD-OG 3.18Å; P463-S467 WeakPolarHBondContact CG-OG 3.46Å; P463-S467 PolarHBondContact O-OG 2.86Å |
| 468 | T | 80.2 | Confident | 85.4 | Confident | 130 Ų | 130 | 69.1 Ų | 69.1 | 80% | 0.798 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 128.8 | 168.6 | 50.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 469 | P | 87.4 | Confident | 85 | Confident | 84 Ų | 84 | 70.4 Ų | 70.4 | 55% | 0.545 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 137.9 | 176.3 | 28.9 | -34 | 0 | 0 | 0 | 112.6 | T460 Y461 A462 | T460-P469 HydrophobicContact CG2-CB 3.75Å; Y461-P469 WeakPolarHBondContact O-CA 3.28Å; A462-P469 HydrophobicContact CB-CB 4.13Å |
| 470 | K | 90.6 | Very high | 84.7 | Confident | 78 Ų | 78 | 73.3 Ų | 73.3 | 34% | 0.339 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 139.6 | 169.1 | -174.7 | 173 | 170.2 | -164.7 | 0 | 108.1 | T460 Y461 Q484 D485 | T460-K470 CarbonylContact C-O 3.52Å; T460-K470 VanDerWaalsContact CA-O 3.3Å; T460-K470 WeakPolarHBondContact CA-O 3.04Å; Y461-K470 WeakPolarHBondContact CD1-O 3.42Å; Y461-K470 HydrophobicContact CD2-CB 4.34Å; Y461-K470 HydrophobicContact CE1-CB 4.2Å; Y461-K470 HydrophobicContact CE1-CD 4.42Å; Y461-K470 HydrophobicContact CE1-CG 4.07Å; Y461-K470 HydrophobicContact CE2-CB 4.05Å; Y461-K470 HydrophobicContact CE2-CD 3.72Å; Y461-K470 HydrophobicContact CE2-CG 4.11Å; Y461-K470 PolarHBondContact N-O 3.17Å; Y461-K470 PolarHBondContact O-N 3.46Å; Y461-K470 VanDerWaalsContact OH-CD 3.3Å; Y461-K470 WeakPolarHBondContact OH-CD 3.39Å; Y461-K470 WeakPolarHBondContact OH-CE 3.48Å; Y461-K470 PolarHBondContact OH-NZ 2.93Å; K470-Q484 PolarHBondContact NZ-O 2.81Å; K470-D485 IonicContact NZ-OD2 3.78Å; K470-D485 PolarHBondContact NZ-OD2 2.86Å |
| 471 | T | 92.7 | Very high | 84.7 | Confident | 48 Ų | 48 | 72.9 Ų | 72.9 | 29% | 0.294 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 115.9 | -179.6 | -61 | 0 | 0 | 0 | 0 | 110.6 | A458 V459 T460 Y473 | A458-T471 HydrophobicContact CB-CG2 3.99Å; V459-T471 CarbonylContact O-C 3.55Å; V459-T471 WeakPolarHBondContact O-CA 3.27Å; T460-T471 WeakPolarHBondContact CG2-OG1 3.44Å; T460-T471 WeakPolarHBondContact OG1-CG2 3.25Å; T460-T471 PolarHBondContact OG1-OG1 3.33Å; T471-Y473 HydrophobicContact CG2-CD2 4.42Å; T471-Y473 HydrophobicContact CG2-CE1 4.17Å; T471-Y473 HydrophobicContact CG2-CE2 3.9Å |
| 472 | D | 92.8 | Very high | 84.8 | Confident | 36 Ų | 36 | 74.6 Ų | 74.6 | 19% | 0.193 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 133.5 | 174.8 | -60.6 | -22.3 | 0 | 0 | 0 | 109.9 | A458 V459 Y461 H481 | A458-D472 CarbonylContact C-O 3.53Å; A458-D472 WeakPolarHBondContact CA-O 3.48Å; V459-D472 PolarHBondContact N-O 2.88Å; V459-D472 PolarHBondContact O-N 2.9Å; Y461-D472 HydrophobicContact CE1-CB 4.45Å; Y461-D472 WeakPolarHBondContact CE1-OD2 3.04Å; Y461-D472 PolarHBondContact OH-OD1 3.43Å; Y461-D472 PolarHBondContact OH-OD2 2.03Å; D472-H481 IonicContact OD2-CD2 3.4Å; D472-H481 IonicContact OD2-CE1 2.76Å; D472-H481 IonicContact OD2-NE2 3.98Å; D472-H481 PolarHBondContact OD2-NE2 2.66Å |
| 473 | Y | 92.3 | Very high | 84.9 | Confident | 152 Ų | 152 | 73.7 Ų | 73.7 | 60% | 0.596 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 132.8 | -179.7 | -69.8 | -78.8 | 0 | 0 | 0 | 111 | M456 A458 T471 I499 | M456-Y473 HydrophobicContact CE-CD1 3.7Å; M456-Y473 HydrophobicContact CE-CG 4.07Å; A458-Y473 HydrophobicContact CB-CD1 3.69Å; A458-Y473 HydrophobicContact CB-CE1 3.73Å; T471-Y473 HydrophobicContact CG2-CD2 4.42Å; T471-Y473 HydrophobicContact CG2-CE1 4.17Å; T471-Y473 HydrophobicContact CG2-CE2 3.9Å; Y473-I499 HydrophobicContact CE1-CD1 4.19Å |
| 474 | L | 90.5 | Very high | 85.1 | Confident | 9 Ų | 9 | 77 Ų | 77 | 5% | 0.047 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 141.9 | -167.6 | -56.7 | 173.7 | 0 | 0 | 0 | 112.3 | W444 M456 F457 V459 H481 | W444-L474 HydrophobicContact CH2-CD1 3.66Å; W444-L474 HydrophobicContact CZ2-CD1 4.1Å; M456-L474 CarbonylContact C-O 3.57Å; M456-L474 WeakPolarHBondContact CA-O 3.18Å; M456-L474 VanDerWaalsContact CB-O 3.27Å; M456-L474 WeakPolarHBondContact CB-O 3.22Å; F457-L474 HydrophobicContact CB-CB 4.31Å; F457-L474 PolarHBondContact N-O 2.9Å; F457-L474 PolarHBondContact O-N 2.84Å; V459-L474 HydrophobicContact CG2-CD1 3.7Å; L474-H481 HydrophobicContact CD1-CB 3.65Å |
| 475 | D | 85.9 | Confident | 85.4 | Confident | 92 Ų | 92 | 78.6 Ų | 78.6 | 49% | 0.492 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 140.5 | 172.1 | -167.3 | -62.8 | 0 | 0 | 0 | 111.1 | Q477 R478 | D475-Q477 PolarHBondContact O-N 2.74Å; D475-Q477 WeakPolarHBondContact OD1-CB 3.49Å; D475-Q477 WeakPolarHBondContact OD1-CG 3.34Å; D475-Q477 PolarHBondContact OD1-N 3.21Å; D475-R478 WeakPolarHBondContact O-CB 3.4Å; D475-R478 PolarHBondContact O-N 2.9Å |
| 476 | K | 83.4 | Confident | 86.4 | Confident | 84 Ų | 84 | 75.7 Ų | 75.7 | 37% | 0.365 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -21 | 174.2 | 60.7 | -178.8 | -179.4 | -174.8 | 0 | 115.1 | P447 L454 | P447-K476 WeakPolarHBondContact CG-O 3.36Å; L454-K476 HydrophobicContact CB-CB 4.44Å; L454-K476 HydrophobicContact CD2-CB 3.71Å; L454-K476 HydrophobicContact CG-CB 3.87Å; L454-K476 WeakPolarHBondContact O-CD 3.34Å |
| 477 | Q | 80.3 | Confident | 87.8 | Confident | 117 Ų | 117 | 71.1 Ų | 71.1 | 55% | 0.547 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -10.7 | 176.1 | -62.2 | -63.8 | -4.6 | 0 | 0 | 113.7 | D475 | D475-Q477 PolarHBondContact O-N 2.74Å; D475-Q477 WeakPolarHBondContact OD1-CB 3.49Å; D475-Q477 WeakPolarHBondContact OD1-CG 3.34Å; D475-Q477 PolarHBondContact OD1-N 3.21Å |
| 478 | R | 83.9 | Confident | 88.7 | Confident | 134 Ų | 134 | 70.3 Ų | 70.3 | 51% | 0.506 | 36% | 0.362 | S | S | . | . | trans | -79.6 | 127.9 | 175 | -69.5 | -170.5 | 174.6 | -158.5 | -0.4 | 110.7 | W444 F457 D475 | W444-R478 WeakPolarHBondContact CZ2-O 3.46Å; W444-R478 PolarHBondContact NE1-O 2.61Å; F457-R478 WeakPolarHBondContact CE2-O 3.33Å; D475-R478 WeakPolarHBondContact O-CB 3.4Å; D475-R478 PolarHBondContact O-N 2.9Å | ||
| 479 | S | 84.9 | Confident | 89 | Confident | 29 Ų | 29 | 64.1 Ų | 64.1 | 20% | 0.203 | 32% | 0.324 | C | S | . | . | trans | -106.5 | -1.8 | 169.3 | 51 | 0 | 0 | 0 | 0 | 113 | R443 W444 | R443-S479 CarbonylContact C-O 3.55Å; R443-S479 VanDerWaalsContact CA-O 3.3Å; R443-S479 WeakPolarHBondContact CA-O 3.44Å; R443-S479 WeakPolarHBondContact CG-O 3.04Å; W444-S479 PolarHBondContact N-O 3Å | ||
| 480 | T | 88.4 | Confident | 89 | Confident | 62 Ų | 62 | 63.2 Ų | 63.2 | 38% | 0.38 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 152.6 | 177.6 | 55.9 | 0 | 0 | 0 | 0 | 111.6 | L442 R443 | L442-T480 VanDerWaalsContact O-CA 3.28Å; L442-T480 WeakPolarHBondContact O-CA 3.48Å; R443-T480 HydrophobicContact CB-CG2 3.97Å; R443-T480 HydrophobicContact CG-CG2 3.81Å |
| 481 | H | 93.3 | Very high | 88.8 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 12% | 0.116 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 147.8 | 170.9 | -174.4 | 41.6 | 0 | 0 | 0 | 111.3 | L442 W444 D472 L474 | L442-H481 PolarHBondContact N-O 3.05Å; L442-H481 PolarHBondContact O-N 3.09Å; W444-H481 HydrophobicContact CH2-CB 3.83Å; W444-H481 HydrophobicContact CZ3-CB 4.17Å; D472-H481 IonicContact OD2-CD2 3.4Å; D472-H481 IonicContact OD2-CE1 2.76Å; D472-H481 IonicContact OD2-NE2 3.98Å; D472-H481 PolarHBondContact OD2-NE2 2.66Å; L474-H481 HydrophobicContact CD1-CB 3.65Å |
| 482 | V | 94.4 | Very high | 88.6 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 116.1 | 173.5 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | E439 V440 E441 Q484 | E439-V482 HydrophobicContact CB-CG1 4.13Å; E439-V482 HydrophobicContact CG-CG1 4.22Å; V440-V482 WeakPolarHBondContact O-CA 3.36Å; E441-V482 HydrophobicContact CB-CG2 4.37Å; E441-V482 HydrophobicContact CG-CG2 4Å; V482-Q484 HydrophobicContact CG1-CG 4.03Å |
| 483 | L | 93.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 134.8 | 168 | -53.4 | -172.9 | 0 | 0 | 0 | 108.4 | E439 V440 L442 V459 Y461 L486 I494 | E439-L483 VanDerWaalsContact CA-O 3.26Å; E439-L483 WeakPolarHBondContact CA-O 3.03Å; V440-L483 HydrophobicContact CB-CB 4.34Å; V440-L483 HydrophobicContact CB-CD1 4.32Å; V440-L483 HydrophobicContact CB-CG 4.48Å; V440-L483 HydrophobicContact CG1-CD1 4.49Å; V440-L483 PolarHBondContact N-O 3.48Å; V440-L483 PolarHBondContact O-N 3.04Å; L442-L483 HydrophobicContact CD1-CD1 4.19Å; L442-L483 HydrophobicContact CD1-CD2 4.26Å; L442-L483 HydrophobicContact CD1-CG 4.15Å; V459-L483 HydrophobicContact CG1-CD2 3.78Å; Y461-L483 HydrophobicContact CD1-CD1 4.32Å; Y461-L483 HydrophobicContact CD1-CD2 3.83Å; Y461-L483 HydrophobicContact CD2-CD1 4.23Å; Y461-L483 HydrophobicContact CE1-CD2 3.66Å; Y461-L483 HydrophobicContact CE2-CB 4.38Å; Y461-L483 HydrophobicContact CE2-CD2 4.5Å; Y461-L483 HydrophobicContact CG-CD1 4.04Å; Y461-L483 HydrophobicContact CG-CD2 4.34Å; L483-L486 HydrophobicContact CB-CD1 4Å; L483-L486 HydrophobicContact CB-CD2 4.3Å; L483-L486 HydrophobicContact CB-CG 4.37Å; L483-I494 HydrophobicContact CD1-CD1 3.62Å; L483-I494 HydrophobicContact CD1-CG1 3.82Å; L483-I494 HydrophobicContact CD1-CG2 4.2Å |
| 484 | Q | 90.8 | Very high | 88.4 | Confident | 100 Ų | 100 | 53.7 Ų | 53.7 | 47% | 0.467 | 27% | 0.273 | S | S | . | . | trans | -129.3 | 165.9 | 179.5 | -62.8 | -170.1 | -49.9 | 0 | 0 | 110.9 | E439 K470 V482 L486 | E439-Q484 HydrophobicContact CG-CG 4.35Å; E439-Q484 PolarHBondContact OE1-NE2 3.03Å; K470-Q484 PolarHBondContact NZ-O 2.81Å; V482-Q484 HydrophobicContact CG1-CG 4.03Å; Q484-L486 VanDerWaalsContact C-N 3.34Å | ||
| 485 | D | 88.2 | Confident | 88.5 | Confident | 132 Ų | 132 | 54.6 Ų | 54.6 | 71% | 0.706 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 64.5 | 31 | -174.4 | -36.4 | -56.9 | 0 | 0 | 0 | 113.8 | K470 | K470-D485 IonicContact NZ-OD2 3.78Å; K470-D485 PolarHBondContact NZ-OD2 2.86Å |
| 486 | L | 90.2 | Very high | 88.8 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 5% | 0.047 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 152.4 | 176.7 | -50.6 | -179.8 | 0 | 0 | 0 | 111.7 | N438 V440 Y461 L483 Q484 Y492 T518 | N438-L486 WeakPolarHBondContact CA-O 3.44Å; N438-L486 WeakPolarHBondContact O-CB 3.01Å; N438-L486 WeakPolarHBondContact O-CG 3.3Å; N438-L486 PolarHBondContact O-N 3.19Å; N438-L486 VanDerWaalsContact O-N 3.09Å; V440-L486 HydrophobicContact CB-CD1 3.92Å; V440-L486 HydrophobicContact CG2-CD1 3.59Å; Y461-L486 HydrophobicContact CD2-CD2 3.68Å; Y461-L486 HydrophobicContact CE2-CD2 3.65Å; L483-L486 HydrophobicContact CB-CD1 4Å; L483-L486 HydrophobicContact CB-CD2 4.3Å; L483-L486 HydrophobicContact CB-CG 4.37Å; Q484-L486 VanDerWaalsContact C-N 3.34Å; L486-Y492 HydrophobicContact CB-CE2 4.17Å; L486-Y492 HydrophobicContact CD2-CD1 4.19Å; L486-Y492 HydrophobicContact CD2-CE1 3.69Å; L486-T518 HydrophobicContact CB-CG2 3.89Å; L486-T518 HydrophobicContact CD1-CG2 3.77Å |
| 487 | V | 88.8 | Confident | 89.2 | Confident | 81 Ų | 81 | 47.3 Ų | 47.3 | 49% | 0.491 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -86.4 | 130 | 176 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | M490 Y492 T518 | V487-M490 HydrophobicContact CB-CB 4.42Å; V487-M490 HydrophobicContact CB-CG 3.95Å; V487-M490 HydrophobicContact CG1-CG 3.7Å; V487-Y492 PolarHBondContact N-OH 2.82Å; V487-T518 PolarHBondContact O-OG1 3.06Å |
| 488 | P | 90.4 | Very high | 89.7 | Confident | 29 Ų | 29 | 42 Ų | 42 | 19% | 0.188 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 143.6 | 178.7 | -26.8 | 35.8 | 0 | 0 | 0 | 114.8 | E437 M490 R519 Q521 | E437-P488 HydrophobicContact CB-CB 4.25Å; E437-P488 HydrophobicContact CB-CG 4.07Å; E437-P488 VanDerWaalsContact O-CA 3.24Å; E437-P488 WeakPolarHBondContact O-CA 3.28Å; P488-M490 PolarHBondContact O-N 2.91Å; P488-M490 VanDerWaalsContact O-N 3.13Å; P488-R519 WeakPolarHBondContact CA-O 3.08Å; P488-R519 WeakPolarHBondContact CB-O 2.79Å; P488-Q521 HydrophobicContact CB-CG 3.73Å; P488-Q521 HydrophobicContact CG-CG 3.83Å |
| 489 | G | 86.1 | Confident | 90 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | -3.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | R517 T518 R519 S596 | G489-R517 WeakPolarHBondContact O-CG 3.37Å; G489-R517 PolarHBondContact O-NE 2.81Å; G489-R517 VanDerWaalsContact O-NE 3.07Å; G489-T518 VanDerWaalsContact CA-O 3.27Å; G489-T518 WeakPolarHBondContact CA-O 3.48Å; G489-T518 PolarHBondContact N-O 3.19Å; G489-T518 PolarHBondContact N-OG1 3.32Å; G489-R519 PolarHBondContact N-O 3.18Å; G489-S596 PolarHBondContact O-OG 3.15Å |
| 490 | M | 87.3 | Confident | 90.1 | Very high | 65 Ų | 65 | 37.3 Ų | 37.3 | 32% | 0.32 | 20% | 0.202 | S | C | . | . | trans | -83.4 | 148 | -175.7 | -69.6 | -63.4 | -73 | 0 | 0 | 112.4 | P463 V487 P488 Y492 R517 T518 A549 | P463-M490 HydrophobicContact CB-CB 4.49Å; P463-M490 HydrophobicContact CB-CE 4.22Å; V487-M490 HydrophobicContact CB-CB 4.42Å; V487-M490 HydrophobicContact CB-CG 3.95Å; V487-M490 HydrophobicContact CG1-CG 3.7Å; P488-M490 PolarHBondContact O-N 2.91Å; P488-M490 VanDerWaalsContact O-N 3.13Å; M490-Y492 HydrophobicContact CB-CD2 4.36Å; M490-Y492 HydrophobicContact CB-CE2 3.79Å; M490-Y492 WeakPolarHBondContact O-CD2 2.96Å; M490-R517 WeakPolarHBondContact O-CA 3.16Å; M490-T518 PolarHBondContact N-OG1 2.97Å; M490-T518 PolarHBondContact O-N 3.49Å; M490-T518 PolarHBondContact O-OG1 3.22Å; M490-A549 HydrophobicContact SD-CB 4.38Å | ||
| 491 | L | 86.8 | Confident | 90 | Very high | 37 Ų | 37 | 38.2 Ų | 38.2 | 19% | 0.194 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 113.5 | 178.5 | -175.2 | 64.5 | 0 | 0 | 0 | 110.1 | P463 L464 R517 | P463-L491 WeakPolarHBondContact CA-O 3.01Å; L464-L491 HydrophobicContact CD1-CD2 3.81Å; L464-L491 HydrophobicContact CD1-CG 3.98Å; L464-L491 PolarHBondContact N-O 3.11Å; L491-R517 HydrophobicContact CD1-CB 3.93Å |
| 492 | Y | 87.8 | Confident | 89.2 | Confident | 11 Ų | 11 | 40.2 Ų | 40.2 | 4% | 0.043 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 137.2 | -179.2 | -76 | -98.8 | 0 | 0 | 0 | 111.7 | A462 P463 L486 V487 M490 L515 I516 T518 | A462-Y492 WeakPolarHBondContact O-CA 2.82Å; P463-Y492 HydrophobicContact CB-CD1 4.32Å; P463-Y492 HydrophobicContact CB-CE1 4Å; P463-Y492 HydrophobicContact CB-CE2 4.41Å; P463-Y492 HydrophobicContact CG-CE1 4.11Å; L486-Y492 HydrophobicContact CB-CE2 4.17Å; L486-Y492 HydrophobicContact CD2-CD1 4.19Å; L486-Y492 HydrophobicContact CD2-CE1 3.69Å; V487-Y492 PolarHBondContact N-OH 2.82Å; M490-Y492 HydrophobicContact CB-CD2 4.36Å; M490-Y492 HydrophobicContact CB-CE2 3.79Å; M490-Y492 WeakPolarHBondContact O-CD2 2.96Å; Y492-L515 WeakPolarHBondContact O-CA 3.11Å; Y492-I516 PolarHBondContact N-O 3.22Å; Y492-I516 PolarHBondContact O-N 3.28Å; Y492-T518 HydrophobicContact CD2-CG2 3.92Å; Y492-T518 HydrophobicContact CE2-CG2 3.85Å |
| 493 | N | 90 | Very high | 87.9 | Confident | 66 Ų | 66 | 42.4 Ų | 42.4 | 35% | 0.353 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 119 | 161.2 | -176.9 | 9 | 0 | 0 | 0 | 108.3 | Y461 A462 L464 L515 | Y461-N493 WeakPolarHBondContact CA-O 3.21Å; A462-N493 PolarHBondContact N-O 2.83Å; A462-N493 VanDerWaalsContact N-O 3.11Å; A462-N493 PolarHBondContact O-N 2.76Å; L464-N493 HydrophobicContact CD2-CB 4.16Å; L464-N493 HydrophobicContact CG-CB 4.44Å; N493-L515 HydrophobicContact CB-CD2 3.94Å |
| 494 | I | 91.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 125.4 | -175.7 | -65.1 | 153.7 | 0 | 0 | 0 | 107.9 | V440 L442 V459 T460 L483 T513 A514 I516 | V440-I494 HydrophobicContact CG1-CD1 4.42Å; L442-I494 HydrophobicContact CD1-CG2 3.83Å; V459-I494 HydrophobicContact CG1-CG2 4.01Å; T460-I494 CarbonylContact O-C 3.57Å; T460-I494 WeakPolarHBondContact O-CA 2.98Å; L483-I494 HydrophobicContact CD1-CD1 3.62Å; L483-I494 HydrophobicContact CD1-CG1 3.82Å; L483-I494 HydrophobicContact CD1-CG2 4.2Å; I494-T513 CarbonylContact O-C 3.29Å; I494-T513 VanDerWaalsContact O-CA 3.28Å; I494-T513 WeakPolarHBondContact O-CA 3.01Å; I494-A514 PolarHBondContact N-O 3.24Å; I494-A514 PolarHBondContact O-N 2.05Å; I494-I516 HydrophobicContact CD1-CB 4.09Å; I494-I516 HydrophobicContact CD1-CD1 3.67Å; I494-I516 HydrophobicContact CD1-CG1 4.06Å |
| 495 | S | 92.4 | Very high | 85.7 | Confident | 29 Ų | 29 | 47.9 Ų | 47.9 | 20% | 0.203 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124.1 | 179.7 | 49.3 | 0 | 0 | 0 | 0 | 110.4 | T460 A512 | T460-S495 PolarHBondContact N-O 2.69Å; T460-S495 PolarHBondContact O-N 2.74Å; T460-S495 PolarHBondContact O-OG 3.08Å; S495-A512 WeakPolarHBondContact CA-O 3.32Å |
| 496 | T | 91.7 | Very high | 85.5 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 134.1 | 174.3 | 69.2 | 0 | 0 | 0 | 0 | 109.8 | P427 L430 A458 V459 P511 A512 | P427-T496 VanDerWaalsContact CG-OG1 3.23Å; P427-T496 WeakPolarHBondContact CG-OG1 3.35Å; L430-T496 HydrophobicContact CD1-CG2 3.88Å; L430-T496 HydrophobicContact CD2-CG2 4.08Å; A458-T496 WeakPolarHBondContact O-CA 3.45Å; V459-T496 HydrophobicContact CB-CG2 4.4Å; V459-T496 HydrophobicContact CG1-CG2 4Å; V459-T496 HydrophobicContact CG2-CG2 3.89Å; T496-P511 WeakPolarHBondContact O-CA 3.43Å; T496-A512 PolarHBondContact N-O 3.01Å; T496-A512 PolarHBondContact O-N 3Å; T496-A512 PolarHBondContact OG1-O 2.98Å |
| 497 | V | 92.5 | Very high | 85.4 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 141.7 | 178.9 | -70.7 | 0 | 0 | 0 | 0 | 111.3 | F457 A458 I499 S509 P511 | F457-V497 CarbonylContact C-O 3.47Å; F457-V497 WeakPolarHBondContact CA-O 3.43Å; A458-V497 HydrophobicContact CB-CG2 3.93Å; A458-V497 PolarHBondContact N-O 2.86Å; A458-V497 PolarHBondContact O-N 2.84Å; V497-I499 HydrophobicContact CG2-CD1 4.28Å; V497-I499 HydrophobicContact CG2-CG1 4.14Å; V497-S509 WeakPolarHBondContact CA-OG 3.47Å; V497-P511 HydrophobicContact CG1-CB 3.89Å |
| 498 | S | 90.8 | Very high | 85.5 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 135 | 164.8 | -62.2 | 0 | 0 | 0 | 0 | 109.3 | L425 S509 | L425-S498 WeakPolarHBondContact O-CB 2.98Å; L425-S498 PolarHBondContact O-OG 3.13Å; S498-S509 PolarHBondContact N-OG 2.97Å; S498-S509 PolarHBondContact O-N 3.13Å |
| 499 | I | 89.9 | Confident | 85.5 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 6% | 0.056 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 135.1 | -179.3 | -57.7 | -170.8 | 0 | 0 | 0 | 110.6 | S455 M456 A458 Y473 V497 L501 N506 D507 T508 | S455-I499 WeakPolarHBondContact CB-O 3.45Å; S455-I499 PolarHBondContact N-O 2.85Å; M456-I499 HydrophobicContact CG-CB 3.74Å; M456-I499 HydrophobicContact CG-CG2 4.05Å; M456-I499 PolarHBondContact N-O 2.9Å; M456-I499 PolarHBondContact O-N 2.87Å; M456-I499 HydrophobicContact SD-CG2 4.4Å; A458-I499 HydrophobicContact CB-CD1 3.6Å; A458-I499 HydrophobicContact CB-CG1 4.44Å; Y473-I499 HydrophobicContact CE1-CD1 4.19Å; V497-I499 HydrophobicContact CG2-CD1 4.28Å; V497-I499 HydrophobicContact CG2-CG1 4.14Å; I499-L501 HydrophobicContact CG2-CD2 4.21Å; I499-N506 HydrophobicContact CG2-CB 4.16Å; I499-D507 WeakPolarHBondContact CA-O 3.14Å; I499-T508 HydrophobicContact CG1-CG2 4.28Å |
| 500 | K | 88.1 | Confident | 85.7 | Confident | 52 Ų | 52 | 49.2 Ų | 49.2 | 23% | 0.226 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 111.8 | 166.1 | 177.7 | 45.8 | 148.6 | -149.1 | 0 | 110.6 | L424 V453 S455 D507 | L424-K500 HydrophobicContact CD2-CB 4.38Å; V453-K500 HydrophobicContact CG1-CG 4.42Å; V453-K500 WeakPolarHBondContact O-CD 3.21Å; V453-K500 WeakPolarHBondContact O-CE 3.47Å; V453-K500 PolarHBondContact O-NZ 3.33Å; S455-K500 WeakPolarHBondContact OG-CD 3.41Å; S455-K500 PolarHBondContact OG-NZ 3.25Å; K500-D507 HydrophobicContact CB-CB 4.25Å; K500-D507 PolarHBondContact N-O 2.74Å; K500-D507 PolarHBondContact O-N 2.91Å |
| 501 | L | 84.7 | Confident | 85.8 | Confident | 82 Ų | 82 | 49.3 Ų | 49.3 | 43% | 0.429 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 131 | 173.8 | -56.3 | 176.5 | 0 | 0 | 0 | 110.7 | S455 M456 I499 N506 | S455-L501 PolarHBondContact OG-N 3.43Å; M456-L501 HydrophobicContact SD-CD1 4.11Å; M456-L501 HydrophobicContact SD-CD2 3.83Å; M456-L501 HydrophobicContact SD-CG 4.11Å; I499-L501 HydrophobicContact CG2-CD2 4.21Å; L501-N506 VanDerWaalsContact CD2-OD1 3.23Å; L501-N506 WeakPolarHBondContact CD2-OD1 3.45Å |
| 502 | K | 77.6 | Confident | 85.9 | Confident | 66 Ų | 66 | 48.5 Ų | 48.5 | 29% | 0.287 | 27% | 0.274 | S | S | . | . | trans | -117.3 | 172.2 | 165.5 | -64.6 | 166.8 | 155.3 | 164.4 | 0 | 109.4 | C409 C411 G417 Y504 G505 D507 | C409-K502 PolarHBondContact O-NZ 3.17Å; C411-K502 PolarHBondContact SG-NZ 2.85Å; G417-K502 WeakPolarHBondContact O-CE 3.03Å; G417-K502 PolarHBondContact O-NZ 2.05Å; K502-Y504 PolarHBondContact O-N 2.87Å; K502-G505 VanDerWaalsContact CB-O 3.3Å; K502-G505 WeakPolarHBondContact CB-O 3.49Å; K502-G505 PolarHBondContact N-O 3.01Å; K502-G505 VanDerWaalsContact N-O 3.14Å; K502-D507 WeakPolarHBondContact CE-OD1 3.34Å; K502-D507 WeakPolarHBondContact CE-OD2 3.28Å; K502-D507 IonicContact NZ-OD1 3.47Å; K502-D507 PolarHBondContact NZ-OD1 2.83Å; K502-D507 IonicContact NZ-OD2 2.82Å; K502-D507 PolarHBondContact NZ-OD2 3.29Å | ||
| 503 | A | 67.9 | Low | 85.9 | Confident | 92 Ų | 92 | 52.5 Ų | 52.5 | 76% | 0.76 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -68.1 | -24 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 504 | Y | 65.6 | Low | 85.7 | Confident | 165 Ų | 165 | 50.2 Ų | 50.2 | 65% | 0.647 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -133.2 | 83.4 | -178.5 | -59.8 | -69 | 0 | 0 | 0 | 109.8 | W400 K502 | W400-Y504 HydrophobicContact CH2-CD2 4.15Å; W400-Y504 HydrophobicContact CH2-CE2 4.43Å; W400-Y504 HydrophobicContact CH2-CG 4.26Å; W400-Y504 HydrophobicContact CZ2-CD2 4.12Å; W400-Y504 HydrophobicContact CZ2-CG 4.04Å; K502-Y504 PolarHBondContact O-N 2.87Å |
| 505 | G | 71.3 | Confident | 85.5 | Confident | 50 Ų | 50 | 54.7 Ų | 54.7 | 52% | 0.515 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 91.5 | 173.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | K502 | K502-G505 VanDerWaalsContact CB-O 3.3Å; K502-G505 WeakPolarHBondContact CB-O 3.49Å; K502-G505 PolarHBondContact N-O 3.01Å; K502-G505 VanDerWaalsContact N-O 3.14Å |
| 506 | N | 84.8 | Confident | 85.2 | Confident | 91 Ų | 91 | 54 Ų | 54 | 49% | 0.487 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 128.7 | 179.7 | -68 | -20.6 | 0 | 0 | 0 | 109.5 | I499 L501 | I499-N506 HydrophobicContact CG2-CB 4.16Å; L501-N506 VanDerWaalsContact CD2-OD1 3.23Å; L501-N506 WeakPolarHBondContact CD2-OD1 3.45Å |
| 507 | D | 87.4 | Confident | 85.1 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 135.2 | 168 | -62.7 | -25.2 | 0 | 0 | 0 | 108.5 | T416 L424 I499 K500 K502 | T416-D507 VanDerWaalsContact CA-OD2 3.3Å; T416-D507 WeakPolarHBondContact CA-OD2 3.41Å; T416-D507 PolarHBondContact OG1-OD2 3.06Å; L424-D507 HydrophobicContact CD2-CB 3.88Å; I499-D507 WeakPolarHBondContact CA-O 3.14Å; K500-D507 HydrophobicContact CB-CB 4.25Å; K500-D507 PolarHBondContact N-O 2.74Å; K500-D507 PolarHBondContact O-N 2.91Å; K502-D507 WeakPolarHBondContact CE-OD1 3.34Å; K502-D507 WeakPolarHBondContact CE-OD2 3.28Å; K502-D507 IonicContact NZ-OD1 3.47Å; K502-D507 PolarHBondContact NZ-OD1 2.83Å; K502-D507 IonicContact NZ-OD2 2.82Å; K502-D507 PolarHBondContact NZ-OD2 3.29Å |
| 508 | T | 90.2 | Very high | 85 | Confident | 50 Ų | 50 | 55 Ų | 55 | 31% | 0.307 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 141.5 | -179 | 49.6 | 0 | 0 | 0 | 0 | 110.9 | G414 I499 | G414-T508 PolarHBondContact N-O 2.92Å; I499-T508 HydrophobicContact CG1-CG2 4.28Å |
| 509 | S | 90.4 | Very high | 85 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.014 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 167.3 | 171.8 | 70.8 | 0 | 0 | 0 | 0 | 111.9 | V413 L424 V497 S498 | V413-S509 VanDerWaalsContact CG1-O 3.28Å; V413-S509 WeakPolarHBondContact CG1-O 3.12Å; L424-S509 WeakPolarHBondContact O-CA 3.49Å; L424-S509 WeakPolarHBondContact O-CB 3.44Å; V497-S509 WeakPolarHBondContact CA-OG 3.47Å; S498-S509 PolarHBondContact N-OG 2.97Å; S498-S509 PolarHBondContact O-N 3.13Å |
| 510 | Q | 90.1 | Very high | 85.1 | Confident | 128 Ų | 128 | 56.9 Ų | 56.9 | 60% | 0.598 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 147.6 | 155.6 | -62.5 | -177.9 | 12.7 | 0 | 0 | 109.3 | V413 P426 | V413-Q510 HydrophobicContact CG1-CG 4.33Å; P426-Q510 WeakPolarHBondContact CB-O 3.46Å |
| 511 | P | 90.7 | Very high | 85.2 | Confident | 68 Ų | 68 | 57 Ų | 57 | 44% | 0.442 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 135.2 | -179.9 | 29.8 | -33.7 | 0 | 0 | 0 | 112 | T496 V497 T513 | T496-P511 WeakPolarHBondContact O-CA 3.43Å; V497-P511 HydrophobicContact CG1-CB 3.89Å; P511-T513 HydrophobicContact CB-CG2 4.11Å; P511-T513 HydrophobicContact CG-CG2 4.27Å |
| 512 | A | 87.9 | Confident | 85.5 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 17% | 0.165 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 118.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | P426 L430 S495 T496 | P426-A512 HydrophobicContact CB-CB 3.96Å; L430-A512 HydrophobicContact CB-CB 4.34Å; L430-A512 HydrophobicContact CD2-CB 3.75Å; S495-A512 WeakPolarHBondContact CA-O 3.32Å; T496-A512 PolarHBondContact N-O 3.01Å; T496-A512 PolarHBondContact O-N 3Å; T496-A512 PolarHBondContact OG1-O 2.98Å |
| 513 | T | 88.4 | Confident | 86.1 | Confident | 95 Ų | 95 | 56.9 Ų | 56.9 | 58% | 0.583 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.7 | -171 | 54.8 | 0 | 0 | 0 | 0 | 112.6 | I494 P511 | I494-T513 CarbonylContact O-C 3.29Å; I494-T513 VanDerWaalsContact O-CA 3.28Å; I494-T513 WeakPolarHBondContact O-CA 3.01Å; P511-T513 HydrophobicContact CB-CG2 4.11Å; P511-T513 HydrophobicContact CG-CG2 4.27Å |
| 514 | A | 86.1 | Confident | 87.2 | Confident | 18 Ų | 18 | 55 Ų | 55 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 135.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | I494 I516 | I494-A514 PolarHBondContact N-O 3.24Å; I494-A514 PolarHBondContact O-N 2.05Å; A514-I516 HydrophobicContact CB-CD1 3.97Å; A514-I516 HydrophobicContact CB-CG1 4.03Å |
| 515 | L | 87.1 | Confident | 88.3 | Confident | 94 Ų | 94 | 54 Ų | 54 | 49% | 0.492 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 118.7 | 169.4 | -75.6 | 166.1 | 0 | 0 | 0 | 108.1 | L464 Y492 N493 | L464-L515 HydrophobicContact CD1-CD2 3.92Å; Y492-L515 WeakPolarHBondContact O-CA 3.11Å; N493-L515 HydrophobicContact CB-CD2 3.94Å |
| 516 | I | 86.9 | Confident | 89.3 | Confident | 13 Ų | 13 | 52.8 Ų | 52.8 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 128.7 | -170.2 | -53.1 | 178.9 | 0 | 0 | 0 | 109.3 | V432 V435 V440 L442 Y492 I494 A514 | V432-I516 HydrophobicContact CB-CD1 4.29Å; V432-I516 HydrophobicContact CG1-CD1 3.92Å; V432-I516 HydrophobicContact CG2-CD1 3.34Å; V432-I516 HydrophobicContact CG2-CG1 4.04Å; V435-I516 HydrophobicContact CG1-CG2 4.21Å; V435-I516 HydrophobicContact CG2-CG2 3.72Å; V440-I516 HydrophobicContact CG1-CD1 3.72Å; V440-I516 HydrophobicContact CG1-CG2 4.31Å; V440-I516 HydrophobicContact CG2-CG2 4.07Å; L442-I516 HydrophobicContact CD2-CD1 3.9Å; Y492-I516 PolarHBondContact N-O 3.22Å; Y492-I516 PolarHBondContact O-N 3.28Å; I494-I516 HydrophobicContact CD1-CB 4.09Å; I494-I516 HydrophobicContact CD1-CD1 3.67Å; I494-I516 HydrophobicContact CD1-CG1 4.06Å; A514-I516 HydrophobicContact CB-CD1 3.97Å; A514-I516 HydrophobicContact CB-CG1 4.03Å |
| 517 | R | 88 | Confident | 89.6 | Confident | 44 Ų | 44 | 53.8 Ų | 53.8 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 116.3 | 174.4 | -162.2 | 173.5 | -153.5 | 110.7 | 9 | 110 | V435 G489 M490 L491 S596 E602 F603 S605 | V435-R517 WeakPolarHBondContact CG1-O 3.39Å; G489-R517 WeakPolarHBondContact O-CG 3.37Å; G489-R517 PolarHBondContact O-NE 2.81Å; G489-R517 VanDerWaalsContact O-NE 3.07Å; M490-R517 WeakPolarHBondContact O-CA 3.16Å; L491-R517 HydrophobicContact CD1-CB 3.93Å; R517-S596 PolarHBondContact NE-OG 3.49Å; R517-S596 PolarHBondContact NH2-OG 2.83Å; R517-S596 VanDerWaalsContact NH2-OG 3.15Å; R517-E602 PolarHBondContact NH1-O 2.59Å; R517-F603 WeakPolarHBondContact CD-O 3.41Å; R517-S605 PolarHBondContact O-OG 3.46Å |
| 518 | T | 90.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -59 | 156.3 | 174.5 | 48 | 0 | 0 | 0 | 0 | 110.6 | V440 L486 V487 G489 M490 Y492 S605 | V440-T518 HydrophobicContact CG2-CG2 4.16Å; L486-T518 HydrophobicContact CB-CG2 3.89Å; L486-T518 HydrophobicContact CD1-CG2 3.77Å; V487-T518 PolarHBondContact O-OG1 3.06Å; G489-T518 VanDerWaalsContact CA-O 3.27Å; G489-T518 WeakPolarHBondContact CA-O 3.48Å; G489-T518 PolarHBondContact N-O 3.19Å; G489-T518 PolarHBondContact N-OG1 3.32Å; M490-T518 PolarHBondContact N-OG1 2.97Å; M490-T518 PolarHBondContact O-N 3.49Å; M490-T518 PolarHBondContact O-OG1 3.22Å; Y492-T518 HydrophobicContact CD2-CG2 3.92Å; Y492-T518 HydrophobicContact CE2-CG2 3.85Å; T518-S605 PolarHBondContact O-OG 3.4Å |
| 519 | R | 91.3 | Very high | 89.9 | Confident | 55 Ų | 55 | 56.8 Ų | 56.8 | 21% | 0.208 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 131.9 | 178.3 | -169.9 | 173.1 | -63.2 | -83.8 | 5.7 | 109.4 | V435 E436 E437 P488 G489 T606 H608 | V435-R519 PolarHBondContact O-NE 3.49Å; V435-R519 PolarHBondContact O-NH2 2.03Å; V435-R519 VanDerWaalsContact O-NH2 3.16Å; E436-R519 WeakPolarHBondContact O-CB 3.44Å; E436-R519 PolarHBondContact O-N 2.89Å; E436-R519 IonicContact OE2-NE 2.62Å; E437-R519 WeakPolarHBondContact CA-O 3.39Å; E437-R519 HydrophobicContact CG-CB 3.92Å; E437-R519 HydrophobicContact CG-CG 4.04Å; P488-R519 WeakPolarHBondContact CA-O 3.08Å; P488-R519 WeakPolarHBondContact CB-O 2.79Å; G489-R519 PolarHBondContact N-O 3.18Å; R519-T606 VanDerWaalsContact CG-O 3.31Å; R519-T606 WeakPolarHBondContact CG-O 2.94Å; R519-T606 PolarHBondContact NH1-O 2.8Å; R519-H608 WeakPolarHBondContact CD-CD2 2.97Å; R519-H608 WeakPolarHBondContact CD-NE2 3.39Å; R519-H608 PolarHBondContact NE-NE2 2.98Å |
| 520 | P | 91.8 | Very high | 89.8 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 153.1 | 169.9 | 31 | -34.6 | 0 | 0 | 0 | 110.4 | V550 T594 S605 S607 | P520-V550 HydrophobicContact CB-CG2 4Å; P520-T594 WeakPolarHBondContact CB-OG1 3.29Å; P520-T594 WeakPolarHBondContact CG-OG1 3.24Å; P520-S605 WeakPolarHBondContact CG-O 2.99Å; P520-S607 WeakPolarHBondContact O-CA 3.49Å; P520-S607 WeakPolarHBondContact O-CB 3.36Å |
| 521 | Q | 90.6 | Very high | 89.9 | Confident | 55 Ų | 55 | 55.7 Ų | 55.7 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -66 | 144.2 | 176 | -64.3 | -163.8 | -33.4 | 0 | 0 | 111.5 | P488 H546 T594 | P488-Q521 HydrophobicContact CB-CG 3.73Å; P488-Q521 HydrophobicContact CG-CG 3.83Å; Q521-H546 PolarHBondContact OE1-O 2.85Å; Q521-T594 VanDerWaalsContact O-CG2 3.24Å; Q521-T594 WeakPolarHBondContact O-CG2 3.49Å; Q521-T594 PolarHBondContact O-OG1 2.93Å |
| 522 | R | 91.4 | Very high | 90 | Very high | 140 Ų | 140 | 53.8 Ų | 53.8 | 53% | 0.528 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 153 | 172.7 | 69.1 | -177.7 | 179.2 | 169 | -0.7 | 111.3 | H547 H608 A610 | R522-H547 PolarHBondContact O-NE2 2.6Å; R522-H608 WeakPolarHBondContact CB-O 3.27Å; R522-A610 HydrophobicContact CB-CB 4.37Å |
| 523 | V | 90.9 | Very high | 90 | Very high | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 147.1 | 177.3 | -57.9 | 0 | 0 | 0 | 0 | 112.2 | L526 W540 V542 V553 V592 T594 A610 | V523-L526 HydrophobicContact CG2-CB 4.43Å; V523-W540 HydrophobicContact CB-CB 4.02Å; V523-W540 HydrophobicContact CB-CG 4.17Å; V523-W540 HydrophobicContact CG1-CG 4.27Å; V523-W540 HydrophobicContact CG2-CB 3.8Å; V523-W540 HydrophobicContact CG2-CG 4.14Å; V523-V542 HydrophobicContact CG1-CG2 4.2Å; V523-V553 HydrophobicContact CG1-CG1 4.26Å; V523-V592 HydrophobicContact CG1-CG1 4Å; V523-V592 HydrophobicContact CG2-CB 4.04Å; V523-V592 HydrophobicContact CG2-CG1 3.63Å; V523-T594 HydrophobicContact CG1-CG2 3.49Å; V523-T594 VanDerWaalsContact CG1-CG2 3.49Å; V523-A610 HydrophobicContact CG2-CB 3.5Å |
| 524 | E | 89.9 | Confident | 90.1 | Very high | 51 Ų | 51 | 51.3 Ų | 51.3 | 24% | 0.238 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 154.7 | 176.7 | -76 | 178.2 | -144 | 0 | 0 | 112.2 | L526 L541 Q543 H547 | E524-L526 PolarHBondContact O-N 3.45Å; E524-L541 HydrophobicContact CB-CB 4.03Å; E524-L541 PolarHBondContact N-O 2.93Å; E524-L541 PolarHBondContact O-N 3.13Å; E524-Q543 VanDerWaalsContact CD-NE2 3.28Å; E524-Q543 PolarHBondContact OE1-NE2 2.92Å; E524-Q543 PolarHBondContact OE2-NE2 2.04Å; E524-H547 IonicContact OE1-CE1 3.94Å |
| 525 | K | 88.8 | Confident | 90.4 | Very high | 146 Ų | 146 | 55 Ų | 55 | 64% | 0.635 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 47 | 40.3 | 169.4 | -52.7 | -175 | -157 | 163.8 | 0 | 114.6 | Q527 L541 | K525-Q527 PolarHBondContact O-N 3.07Å; K525-L541 HydrophobicContact CB-CD1 4.37Å; K525-L541 HydrophobicContact CD-CD1 3.66Å; K525-L541 HydrophobicContact CG-CD1 4.24Å |
| 526 | L | 92 | Very high | 90.7 | Very high | 24 Ų | 24 | 50.5 Ų | 50.5 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 124 | 171.8 | -179.2 | 65.6 | 0 | 0 | 0 | 109.6 | V523 E524 S539 W540 V592 A610 L613 | V523-L526 HydrophobicContact CG2-CB 4.43Å; E524-L526 PolarHBondContact O-N 3.45Å; L526-S539 WeakPolarHBondContact CA-O 3.41Å; L526-W540 HydrophobicContact CD1-CB 4.04Å; L526-W540 HydrophobicContact CD1-CE3 4.16Å; L526-V592 HydrophobicContact CD1-CB 4.37Å; L526-V592 HydrophobicContact CD1-CG2 3.59Å; L526-V592 HydrophobicContact CD2-CB 4.18Å; L526-V592 HydrophobicContact CD2-CG2 3.83Å; L526-V592 HydrophobicContact CG-CG2 4.38Å; L526-A610 HydrophobicContact CB-CB 4.42Å; L526-A610 HydrophobicContact CD2-CB 4.05Å; L526-L613 HydrophobicContact CB-CD1 4.37Å; L526-L613 HydrophobicContact CD2-CD1 3.93Å; L526-L613 HydrophobicContact CD2-CG 4.28Å; L526-L613 HydrophobicContact CG-CD1 3.74Å |
| 527 | Q | 91.8 | Very high | 91.1 | Very high | 111 Ų | 111 | 54.7 Ų | 54.7 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 153.3 | -175.2 | 63.8 | -180 | 1.4 | 0 | 0 | 112.3 | K525 S539 | K525-Q527 PolarHBondContact O-N 3.07Å; Q527-S539 VanDerWaalsContact CG-OG 3.24Å; Q527-S539 WeakPolarHBondContact CG-OG 3.43Å; Q527-S539 PolarHBondContact N-O 3.3Å; Q527-S539 PolarHBondContact NE2-OG 2.93Å; Q527-S539 PolarHBondContact O-N 2.98Å |
| 528 | L | 91.3 | Very high | 91.4 | Very high | 56 Ų | 56 | 52.6 Ų | 52.6 | 29% | 0.293 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 119.3 | 170.4 | -69.1 | 85.8 | 0 | 0 | 0 | 109.1 | V531 V536 L538 L613 F615 | L528-V531 HydrophobicContact CD2-CG2 3.75Å; L528-V536 HydrophobicContact CD2-CG2 3.88Å; L528-V536 HydrophobicContact CG-CG2 4.36Å; L528-L538 HydrophobicContact CG-CD2 3.89Å; L528-L613 HydrophobicContact CD1-CB 4.04Å; L528-L613 HydrophobicContact CD1-CD1 3.83Å; L528-F615 HydrophobicContact CD2-CB 3.45Å; L528-F615 VanDerWaalsContact CD2-CB 3.45Å; L528-F615 HydrophobicContact CD2-CD1 3.6Å; L528-F615 HydrophobicContact CD2-CD2 3.96Å; L528-F615 HydrophobicContact CD2-CE1 4.32Å; L528-F615 HydrophobicContact CD2-CG 3.38Å |
| 529 | V | 91.8 | Very high | 91.6 | Very high | 65 Ų | 65 | 53.5 Ų | 53.5 | 39% | 0.394 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -43.8 | -179.3 | -173 | 0 | 0 | 0 | 0 | 110.6 | W537 S539 | V529-W537 HydrophobicContact CB-CB 4.35Å; V529-W537 HydrophobicContact CB-CD2 3.81Å; V529-W537 HydrophobicContact CB-CE3 3.94Å; V529-W537 HydrophobicContact CB-CG 3.99Å; V529-W537 HydrophobicContact CG1-CD2 3.81Å; V529-W537 HydrophobicContact CG1-CE3 3.53Å; V529-W537 HydrophobicContact CG1-CH2 4.1Å; V529-W537 HydrophobicContact CG1-CZ2 4.33Å; V529-W537 HydrophobicContact CG1-CZ3 3.69Å; V529-W537 HydrophobicContact CG2-CD2 4.36Å; V529-W537 HydrophobicContact CG2-CG 4.41Å; V529-W537 PolarHBondContact N-O 3.11Å; V529-S539 WeakPolarHBondContact CG2-OG 3.39Å |
| 530 | N | 89.9 | Confident | 91.7 | Very high | 86 Ų | 86 | 51.1 Ų | 51.1 | 46% | 0.46 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 149 | 177.7 | -165.5 | 5.5 | 0 | 0 | 0 | 111.2 | W537 | N530-W537 HydrophobicContact CB-CB 4.44Å; N530-W537 HydrophobicContact CB-CE3 4.23Å; N530-W537 PolarHBondContact O-N 2.84Å |
| 531 | V | 91.8 | Very high | 91.6 | Very high | 21 Ų | 21 | 54.2 Ų | 54.2 | 13% | 0.127 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 118 | 178.3 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | L528 V536 F615 W616 R618 | L528-V531 HydrophobicContact CD2-CG2 3.75Å; V531-V536 HydrophobicContact CG2-CG2 4.07Å; V531-F615 HydrophobicContact CG1-CD2 3.75Å; V531-F615 HydrophobicContact CG1-CE2 3.96Å; V531-F615 HydrophobicContact CG2-CD2 3.92Å; V531-F615 HydrophobicContact CG2-CE2 4.42Å; V531-W616 WeakPolarHBondContact CG1-O 3.42Å; V531-R618 WeakPolarHBondContact O-CD 3.38Å; V531-R618 PolarHBondContact O-NE 3.19Å |
| 532 | S | 91.3 | Very high | 91.5 | Very high | 27 Ų | 27 | 52.9 Ų | 52.9 | 19% | 0.189 | 26% | 0.261 | C | S | . | . | trans | -99.9 | -164.8 | 175.1 | 85.7 | 0 | 0 | 0 | 0 | 111 | S534 Q535 R618 | S532-S534 VanDerWaalsContact C-N 3.32Å; S532-S534 PolarHBondContact OG-N 2.96Å; S532-S534 VanDerWaalsContact OG-N 3.12Å; S532-Q535 PolarHBondContact N-O 3.26Å; S532-Q535 WeakPolarHBondContact OG-CB 3.44Å; S532-Q535 PolarHBondContact OG-N 3.47Å; S532-Q535 PolarHBondContact OG-O 3.28Å; S532-R618 PolarHBondContact O-N 3.15Å | ||
| 533 | S | 88.8 | Confident | 91 | Very high | 26 Ų | 26 | 49.8 Ų | 49.8 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -79.8 | -10.1 | 171 | 56 | 0 | 0 | 0 | 0 | 114 | A584 R618 | S533-A584 WeakPolarHBondContact O-CA 3.48Å; S533-A584 VanDerWaalsContact O-CB 3.24Å; S533-A584 WeakPolarHBondContact O-CB 3.06Å; S533-A584 PolarHBondContact O-N 2.95Å; S533-R618 VanDerWaalsContact CA-O 3.23Å; S533-R618 WeakPolarHBondContact CA-O 3.47Å; S533-R618 WeakPolarHBondContact CB-O 3.35Å |
| 534 | S | 89.4 | Confident | 90 | Very high | 38 Ų | 38 | 56.4 Ų | 56.4 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -149.1 | 7.4 | -176.5 | 57.3 | 0 | 0 | 0 | 0 | 114.8 | S532 S580 S581 L582 | S532-S534 VanDerWaalsContact C-N 3.32Å; S532-S534 PolarHBondContact OG-N 2.96Å; S532-S534 VanDerWaalsContact OG-N 3.12Å; S534-S580 CarbonylContact O-C 3.58Å; S534-S580 WeakPolarHBondContact O-CA 3.47Å; S534-S581 PolarHBondContact O-N 2.79Å; S534-L582 WeakPolarHBondContact CA-O 3.01Å; S534-L582 WeakPolarHBondContact CB-O 3.46Å; S534-L582 PolarHBondContact O-N 3.04Å |
| 535 | Q | 93.1 | Very high | 89.1 | Confident | 95 Ų | 95 | 58.4 Ų | 58.4 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | trans | -144.4 | 151.6 | -179.1 | -58.7 | 173.4 | -48.7 | 0 | 0 | 111 | S532 T578 F579 | S532-Q535 PolarHBondContact N-O 3.26Å; S532-Q535 WeakPolarHBondContact OG-CB 3.44Å; S532-Q535 PolarHBondContact OG-N 3.47Å; S532-Q535 PolarHBondContact OG-O 3.28Å; Q535-T578 HydrophobicContact CB-CG2 4.41Å; Q535-F579 WeakPolarHBondContact CA-O 3.32Å; Q535-F579 WeakPolarHBondContact CB-O 3.02Å | ||
| 536 | V | 94.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 134.4 | 166.5 | 62.1 | 0 | 0 | 0 | 0 | 109.3 | L528 V531 L538 L557 T578 F579 L582 F615 | L528-V536 HydrophobicContact CD2-CG2 3.88Å; L528-V536 HydrophobicContact CG-CG2 4.36Å; V531-V536 HydrophobicContact CG2-CG2 4.07Å; V536-L538 HydrophobicContact CG1-CG 4.5Å; V536-L538 HydrophobicContact CG2-CD2 3.75Å; V536-L538 HydrophobicContact CG2-CG 4.25Å; V536-L557 HydrophobicContact CG1-CD1 4.08Å; V536-T578 CarbonylContact O-C 3.59Å; V536-T578 VanDerWaalsContact O-CA 3.24Å; V536-T578 WeakPolarHBondContact O-CA 3.02Å; V536-F579 HydrophobicContact CG1-CB 4.05Å; V536-F579 HydrophobicContact CG1-CD2 4.16Å; V536-F579 PolarHBondContact N-O 3.18Å; V536-F579 VanDerWaalsContact N-O 3.16Å; V536-F579 PolarHBondContact O-N 2.98Å; V536-L582 HydrophobicContact CB-CD1 4.39Å; V536-L582 HydrophobicContact CG1-CD1 3.93Å; V536-F615 HydrophobicContact CB-CE2 3.84Å; V536-F615 HydrophobicContact CB-CZ 3.69Å; V536-F615 HydrophobicContact CG1-CE1 4.34Å; V536-F615 HydrophobicContact CG1-CE2 4.3Å; V536-F615 HydrophobicContact CG1-CZ 3.65Å; V536-F615 HydrophobicContact CG2-CE1 4.29Å; V536-F615 HydrophobicContact CG2-CE2 3.99Å; V536-F615 HydrophobicContact CG2-CZ 3.86Å |
| 537 | W | 94.6 | Very high | 87.7 | Confident | 101 Ų | 101 | 55.5 Ų | 55.5 | 38% | 0.383 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121.5 | 173.3 | -179.5 | 17.1 | 0 | 0 | 0 | 108.9 | V529 N530 E576 | V529-W537 HydrophobicContact CB-CB 4.35Å; V529-W537 HydrophobicContact CB-CD2 3.81Å; V529-W537 HydrophobicContact CB-CE3 3.94Å; V529-W537 HydrophobicContact CB-CG 3.99Å; V529-W537 HydrophobicContact CG1-CD2 3.81Å; V529-W537 HydrophobicContact CG1-CE3 3.53Å; V529-W537 HydrophobicContact CG1-CH2 4.1Å; V529-W537 HydrophobicContact CG1-CZ2 4.33Å; V529-W537 HydrophobicContact CG1-CZ3 3.69Å; V529-W537 HydrophobicContact CG2-CD2 4.36Å; V529-W537 HydrophobicContact CG2-CG 4.41Å; V529-W537 PolarHBondContact N-O 3.11Å; N530-W537 HydrophobicContact CB-CB 4.44Å; N530-W537 HydrophobicContact CB-CE3 4.23Å; N530-W537 PolarHBondContact O-N 2.84Å; W537-E576 VanDerWaalsContact CZ2-OE2 3.3Å; W537-E576 WeakPolarHBondContact CZ2-OE2 3.38Å; W537-E576 PolarHBondContact NE1-OE2 2.71Å |
| 538 | L | 94.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 143.6 | -177.2 | -57.3 | 173.3 | 0 | 0 | 0 | 109.4 | L528 V536 W540 V555 E576 H577 F579 V590 | L528-L538 HydrophobicContact CG-CD2 3.89Å; V536-L538 HydrophobicContact CG1-CG 4.5Å; V536-L538 HydrophobicContact CG2-CD2 3.75Å; V536-L538 HydrophobicContact CG2-CG 4.25Å; L538-W540 HydrophobicContact CB-CE3 4.41Å; L538-W540 HydrophobicContact CB-CZ3 4.06Å; L538-V555 HydrophobicContact CD1-CG1 3.84Å; L538-E576 VanDerWaalsContact O-CA 3.25Å; L538-E576 WeakPolarHBondContact O-CA 3.21Å; L538-E576 WeakPolarHBondContact O-CB 3.37Å; L538-H577 PolarHBondContact N-O 3.49Å; L538-H577 PolarHBondContact O-N 3.49Å; L538-F579 HydrophobicContact CD1-CD2 4.01Å; L538-F579 HydrophobicContact CD1-CE2 3.83Å; L538-V590 HydrophobicContact CD1-CG1 3.69Å; L538-V590 HydrophobicContact CD1-CG2 4.21Å; L538-V590 HydrophobicContact CD2-CG1 4.22Å; L538-V590 HydrophobicContact CD2-CG2 3.82Å |
| 539 | S | 94.1 | Very high | 86.4 | Confident | 19 Ų | 19 | 52.9 Ų | 52.9 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 153.8 | 166.8 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | L526 Q527 V529 T575 | L526-S539 WeakPolarHBondContact CA-O 3.41Å; Q527-S539 VanDerWaalsContact CG-OG 3.24Å; Q527-S539 WeakPolarHBondContact CG-OG 3.43Å; Q527-S539 PolarHBondContact N-O 3.3Å; Q527-S539 PolarHBondContact NE2-OG 2.93Å; Q527-S539 PolarHBondContact O-N 2.98Å; V529-S539 WeakPolarHBondContact CG2-OG 3.39Å; S539-T575 CarbonylContact C-O 3.6Å; S539-T575 VanDerWaalsContact CA-O 3.3Å; S539-T575 WeakPolarHBondContact CA-O 3.46Å |
| 540 | W | 93.8 | Very high | 86.2 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 170.3 | 178.3 | 58.3 | 86.1 | 0 | 0 | 0 | 109.2 | V523 L526 L538 V553 V555 L570 V574 T575 H577 | V523-W540 HydrophobicContact CB-CB 4.02Å; V523-W540 HydrophobicContact CB-CG 4.17Å; V523-W540 HydrophobicContact CG1-CG 4.27Å; V523-W540 HydrophobicContact CG2-CB 3.8Å; V523-W540 HydrophobicContact CG2-CG 4.14Å; L526-W540 HydrophobicContact CD1-CB 4.04Å; L526-W540 HydrophobicContact CD1-CE3 4.16Å; L538-W540 HydrophobicContact CB-CE3 4.41Å; L538-W540 HydrophobicContact CB-CZ3 4.06Å; W540-V553 HydrophobicContact CZ2-CG1 4.34Å; W540-V555 HydrophobicContact CH2-CG2 3.59Å; W540-V555 HydrophobicContact CZ2-CG2 4.06Å; W540-V555 HydrophobicContact CZ3-CG2 3.91Å; W540-L570 HydrophobicContact CH2-CD1 3.7Å; W540-L570 HydrophobicContact CZ2-CD1 3.84Å; W540-V574 HydrophobicContact CZ2-CG1 4.47Å; W540-V574 VanDerWaalsContact CZ2-O 3.29Å; W540-V574 WeakPolarHBondContact CZ2-O 3.47Å; W540-V574 PolarHBondContact NE1-O 2.04Å; W540-T575 PolarHBondContact N-O 2.9Å; W540-T575 VanDerWaalsContact O-CB 3.3Å; W540-T575 WeakPolarHBondContact O-CB 2.99Å; W540-T575 VanDerWaalsContact O-O 3.09Å; W540-H577 HydrophobicContact CH2-CB 3.72Å; W540-H577 HydrophobicContact CZ3-CB 4.11Å |
| 541 | L | 90.4 | Very high | 86 | Confident | 67 Ų | 67 | 47.4 Ų | 47.4 | 35% | 0.351 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 140.3 | 175.6 | -64.2 | 179.9 | 0 | 0 | 0 | 111.3 | E524 K525 | E524-L541 HydrophobicContact CB-CB 4.03Å; E524-L541 PolarHBondContact N-O 2.93Å; E524-L541 PolarHBondContact O-N 3.13Å; K525-L541 HydrophobicContact CB-CD1 4.37Å; K525-L541 HydrophobicContact CD-CD1 3.66Å; K525-L541 HydrophobicContact CG-CD1 4.24Å |
| 542 | V | 87.3 | Confident | 85.9 | Confident | 28 Ų | 28 | 50.3 Ų | 50.3 | 17% | 0.17 | 29% | 0.286 | C | S | . | . | trans | -123.3 | 116.7 | 168.6 | -177.3 | 0 | 0 | 0 | 0 | 105 | V523 H547 V553 | V523-V542 HydrophobicContact CG1-CG2 4.2Å; V542-H547 HydrophobicContact CG1-CB 3.49Å; V542-H547 VanDerWaalsContact CG1-CB 3.49Å; V542-V553 HydrophobicContact CG2-CG2 4.35Å | ||
| 543 | Q | 80.7 | Confident | 85.9 | Confident | 74 Ų | 74 | 49 Ų | 49 | 35% | 0.346 | 28% | 0.277 | S | S | . | . | trans | -104.2 | 124.1 | -179.3 | -60.6 | -167.9 | 23.8 | 0 | 0 | 110.4 | E524 A545 H546 H547 | E524-Q543 VanDerWaalsContact CD-NE2 3.28Å; E524-Q543 PolarHBondContact OE1-NE2 2.92Å; E524-Q543 PolarHBondContact OE2-NE2 2.04Å; Q543-A545 VanDerWaalsContact C-N 3.27Å; Q543-A545 PolarHBondContact O-N 2.89Å; Q543-A545 VanDerWaalsContact O-N 3.14Å; Q543-H546 HydrophobicContact CB-CB 4.46Å; Q543-H546 PolarHBondContact O-N 3.45Å; Q543-H546 PolarHBondContact OE1-ND1 2.89Å; Q543-H547 PolarHBondContact N-ND1 2.81Å; Q543-H547 VanDerWaalsContact O-CB 3.32Å; Q543-H547 WeakPolarHBondContact O-CB 3.27Å; Q543-H547 PolarHBondContact O-N 3.28Å; Q543-H547 PolarHBondContact O-ND1 2.68Å; Q543-H547 VanDerWaalsContact O-ND1 3.15Å | ||
| 544 | D | 71.3 | Confident | 86.1 | Confident | 145 Ų | 145 | 50.1 Ų | 50.1 | 78% | 0.775 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -52.2 | -40.9 | -176.1 | -62.2 | -46.5 | 0 | 0 | 0 | 113.7 | H546 A548 | D544-H546 VanDerWaalsContact C-N 3.25Å; D544-H546 PolarHBondContact O-N 2.99Å; D544-A548 WeakPolarHBondContact O-CA 3.49Å; D544-A548 WeakPolarHBondContact O-CB 3.49Å; D544-A548 PolarHBondContact O-N 2.99Å; D544-A548 VanDerWaalsContact O-N 3.08Å |
| 545 | A | 70.9 | Confident | 86.2 | Confident | 93 Ų | 93 | 48.3 Ų | 48.3 | 77% | 0.769 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.1 | -27.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q543 | Q543-A545 VanDerWaalsContact C-N 3.27Å; Q543-A545 PolarHBondContact O-N 2.89Å; Q543-A545 VanDerWaalsContact O-N 3.14Å |
| 546 | H | 71.1 | Confident | 86.2 | Confident | 101 Ų | 101 | 44.2 Ų | 44.2 | 47% | 0.468 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -108.8 | -25 | -175.5 | -68.2 | 116 | 0 | 0 | 0 | 112.6 | Q521 Q543 D544 | Q521-H546 PolarHBondContact OE1-O 2.85Å; Q543-H546 HydrophobicContact CB-CB 4.46Å; Q543-H546 PolarHBondContact O-N 3.45Å; Q543-H546 PolarHBondContact OE1-ND1 2.89Å; D544-H546 VanDerWaalsContact C-N 3.25Å; D544-H546 PolarHBondContact O-N 2.99Å |
| 547 | H | 80.1 | Confident | 86.2 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -116 | 16.2 | -171.9 | -59.2 | 70.3 | 0 | 0 | 0 | 112.6 | R522 E524 V542 Q543 A549 V550 | R522-H547 PolarHBondContact O-NE2 2.6Å; E524-H547 IonicContact OE1-CE1 3.94Å; V542-H547 HydrophobicContact CG1-CB 3.49Å; V542-H547 VanDerWaalsContact CG1-CB 3.49Å; Q543-H547 PolarHBondContact N-ND1 2.81Å; Q543-H547 VanDerWaalsContact O-CB 3.32Å; Q543-H547 WeakPolarHBondContact O-CB 3.27Å; Q543-H547 PolarHBondContact O-N 3.28Å; Q543-H547 PolarHBondContact O-ND1 2.68Å; Q543-H547 VanDerWaalsContact O-ND1 3.15Å; H547-A549 PolarHBondContact O-N 3.14Å; H547-V550 HydrophobicContact CB-CB 4.22Å; H547-V550 HydrophobicContact CB-CG2 3.9Å; H547-V550 VanDerWaalsContact O-CB 3.3Å; H547-V550 WeakPolarHBondContact O-CB 3.42Å; H547-V550 PolarHBondContact O-N 2.85Å |
| 548 | A | 75.6 | Confident | 86 | Confident | 93 Ų | 93 | 42.7 Ų | 42.7 | 77% | 0.769 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -28.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | D544 | D544-A548 WeakPolarHBondContact O-CA 3.49Å; D544-A548 WeakPolarHBondContact O-CB 3.49Å; D544-A548 PolarHBondContact O-N 2.99Å; D544-A548 VanDerWaalsContact O-N 3.08Å |
| 549 | A | 80.6 | Confident | 85.9 | Confident | 19 Ų | 19 | 43.4 Ų | 43.4 | 16% | 0.157 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -8.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | M490 H547 S596 | M490-A549 HydrophobicContact SD-CB 4.38Å; H547-A549 PolarHBondContact O-N 3.14Å; A549-S596 WeakPolarHBondContact O-CB 3.48Å; A549-S596 PolarHBondContact O-OG 2.77Å |
| 550 | V | 86.6 | Confident | 85.6 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | trans | -78.3 | 123.4 | -178.8 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | P520 H547 R552 V553 S572 T594 | P520-V550 HydrophobicContact CB-CG2 4Å; H547-V550 HydrophobicContact CB-CB 4.22Å; H547-V550 HydrophobicContact CB-CG2 3.9Å; H547-V550 VanDerWaalsContact O-CB 3.3Å; H547-V550 WeakPolarHBondContact O-CB 3.42Å; H547-V550 PolarHBondContact O-N 2.85Å; V550-R552 WeakPolarHBondContact CG1-O 3.47Å; V550-V553 HydrophobicContact CG1-CG2 4.5Å; V550-S572 WeakPolarHBondContact O-CB 3.37Å; V550-S572 PolarHBondContact O-OG 3.48Å; V550-T594 HydrophobicContact CG1-CG2 4.12Å; V550-T594 HydrophobicContact CG2-CG2 4.21Å | ||
| 551 | S | 86.7 | Confident | 85 | Confident | 28 Ų | 28 | 49.1 Ų | 49.1 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | trans | -106 | -30.4 | -178 | -36.2 | 0 | 0 | 0 | 0 | 113 | Q595 G597 I598 | S551-Q595 PolarHBondContact N-O 3.08Å; S551-G597 PolarHBondContact OG-N 2.81Å; S551-I598 VanDerWaalsContact CB-CG1 3.43Å | ||
| 552 | R | 89.4 | Confident | 84.3 | Confident | 82 Ų | 82 | 49.3 Ų | 49.3 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 158.6 | 179.4 | -66.3 | -178.8 | -178.5 | 137.3 | 6.4 | 111.2 | V550 V569 L570 Q595 I598 | V550-R552 WeakPolarHBondContact CG1-O 3.47Å; R552-V569 HydrophobicContact CB-CG1 4.2Å; R552-V569 HydrophobicContact CG-CG1 4.4Å; R552-L570 CarbonylContact C-O 3.57Å; R552-L570 VanDerWaalsContact CA-O 3.24Å; R552-L570 WeakPolarHBondContact CA-O 3.42Å; R552-L570 WeakPolarHBondContact CB-O 3Å; R552-Q595 HydrophobicContact CB-CB 4.34Å; R552-Q595 PolarHBondContact N-O 2.03Å; R552-Q595 PolarHBondContact O-N 3.47Å; R552-I598 PolarHBondContact NH1-O 2.8Å; R552-I598 VanDerWaalsContact NH1-O 3.09Å; R552-I598 PolarHBondContact NH2-O 3.03Å; R552-I598 VanDerWaalsContact NH2-O 3.12Å |
| 553 | V | 91.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 125 | 171 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | V523 W540 V542 V550 V555 L570 V592 | V523-V553 HydrophobicContact CG1-CG1 4.26Å; W540-V553 HydrophobicContact CZ2-CG1 4.34Å; V542-V553 HydrophobicContact CG2-CG2 4.35Å; V550-V553 HydrophobicContact CG1-CG2 4.5Å; V553-V555 HydrophobicContact CG1-CG2 4.17Å; V553-L570 PolarHBondContact N-O 3.08Å; V553-L570 PolarHBondContact O-N 3.32Å; V553-V592 HydrophobicContact CG1-CG1 3.5Å; V553-V592 VanDerWaalsContact CG1-CG1 3.5Å |
| 554 | H | 91.7 | Very high | 84.4 | Confident | 49 Ų | 49 | 56.3 Ų | 56.3 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 127.3 | 170.3 | -64.4 | -100.9 | 0 | 0 | 0 | 108.3 | V568 V592 L593 Q595 | H554-V568 WeakPolarHBondContact CA-O 3.36Å; H554-V592 WeakPolarHBondContact O-CA 3Å; H554-L593 HydrophobicContact CB-CB 4.42Å; H554-L593 PolarHBondContact N-O 2.98Å; H554-L593 PolarHBondContact O-N 2.87Å; H554-Q595 PolarHBondContact NE2-OE1 3.48Å |
| 555 | V | 93.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124 | 173 | -176.9 | 0 | 0 | 0 | 0 | 107.3 | L538 W540 V553 T567 V568 L570 F579 V592 | L538-V555 HydrophobicContact CD1-CG1 3.84Å; W540-V555 HydrophobicContact CH2-CG2 3.59Å; W540-V555 HydrophobicContact CZ2-CG2 4.06Å; W540-V555 HydrophobicContact CZ3-CG2 3.91Å; V553-V555 HydrophobicContact CG1-CG2 4.17Å; V555-T567 WeakPolarHBondContact O-CA 3.05Å; V555-V568 HydrophobicContact CB-CG1 3.86Å; V555-V568 PolarHBondContact N-O 2.87Å; V555-V568 PolarHBondContact O-N 2.83Å; V555-L570 HydrophobicContact CG2-CD1 3.96Å; V555-F579 HydrophobicContact CB-CZ 4.41Å; V555-F579 HydrophobicContact CG1-CE2 3.6Å; V555-F579 HydrophobicContact CG1-CZ 3.87Å; V555-V592 HydrophobicContact CB-CG2 4.45Å; V555-V592 HydrophobicContact CG1-CG2 4.06Å; V555-V592 HydrophobicContact CG2-CG1 4.24Å; V555-V592 HydrophobicContact CG2-CG2 4.17Å |
| 556 | S | 92.6 | Very high | 86 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130.6 | -175.4 | 40.6 | 0 | 0 | 0 | 0 | 110.6 | D591 | S556-D591 PolarHBondContact N-O 3.19Å; S556-D591 PolarHBondContact O-N 3.46Å; S556-D591 WeakPolarHBondContact OG-CB 3.2Å; S556-D591 PolarHBondContact OG-O 2.03Å |
| 557 | L | 92.7 | Very high | 87 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 102.6 | 178.1 | -162.7 | 87.3 | 0 | 0 | 0 | 108.8 | V536 P559 P565 L566 F579 L582 Y588 V590 F615 | V536-L557 HydrophobicContact CG1-CD1 4.08Å; L557-P559 WeakPolarHBondContact O-CD 3.36Å; L557-P565 WeakPolarHBondContact O-CA 3.45Å; L557-L566 HydrophobicContact CB-CB 4.21Å; L557-L566 HydrophobicContact CD2-CD1 4.24Å; L557-L566 PolarHBondContact N-O 3.26Å; L557-L566 PolarHBondContact O-N 3.03Å; L557-F579 HydrophobicContact CB-CD1 4.49Å; L557-F579 HydrophobicContact CB-CD2 4.31Å; L557-F579 HydrophobicContact CB-CE1 4.26Å; L557-F579 HydrophobicContact CB-CE2 4.05Å; L557-F579 HydrophobicContact CB-CZ 4.02Å; L557-F579 HydrophobicContact CD1-CD2 4.09Å; L557-F579 HydrophobicContact CD1-CE2 4.28Å; L557-F579 HydrophobicContact CD2-CB 4.33Å; L557-F579 HydrophobicContact CD2-CD2 4.45Å; L557-F579 HydrophobicContact CD2-CG 4.24Å; L557-L582 HydrophobicContact CD2-CD1 3.86Å; L557-L582 HydrophobicContact CD2-CD2 3.43Å; L557-L582 VanDerWaalsContact CD2-CD2 3.43Å; L557-L582 HydrophobicContact CD2-CG 4.31Å; L557-Y588 HydrophobicContact CD2-CD1 3.63Å; L557-Y588 HydrophobicContact CD2-CE1 4.05Å; L557-Y588 HydrophobicContact CD2-CG 4.18Å; L557-Y588 HydrophobicContact CG-CD1 3.93Å; L557-Y588 HydrophobicContact CG-CG 4.39Å; L557-V590 HydrophobicContact CD1-CG2 3.9Å; L557-F615 HydrophobicContact CD1-CE1 3.77Å; L557-F615 HydrophobicContact CD1-CZ 3.99Å |
| 558 | M | 91.4 | Very high | 87.6 | Confident | 69 Ų | 69 | 53.4 Ų | 53.4 | 34% | 0.34 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 115.4 | 179.6 | -65 | 75.8 | 169.7 | 0 | 0 | 110.4 | P565 Y588 T589 D591 | M558-P565 HydrophobicContact CG-CB 4.21Å; M558-Y588 CarbonylContact O-C 3.59Å; M558-Y588 WeakPolarHBondContact O-CA 3.28Å; M558-T589 PolarHBondContact N-O 2.98Å; M558-T589 PolarHBondContact O-N 2.83Å; M558-D591 HydrophobicContact CE-CB 3.94Å; M558-D591 HydrophobicContact SD-CB 4.16Å |
| 559 | P | 91.6 | Very high | 88.4 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 10% | 0.097 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 144.3 | 172.8 | -18.5 | 35 | 0 | 0 | 0 | 111.7 | L557 D561 T563 Y588 | L557-P559 WeakPolarHBondContact O-CD 3.36Å; P559-D561 VanDerWaalsContact CB-OD1 3.27Å; P559-D561 WeakPolarHBondContact CB-OD1 3.01Å; P559-D561 PolarHBondContact O-N 3.08Å; P559-T563 VanDerWaalsContact CB-OG1 3.25Å; P559-T563 WeakPolarHBondContact CB-OG1 3.48Å; P559-T563 WeakPolarHBondContact CD-O 3.43Å; P559-T563 VanDerWaalsContact CG-OG1 3.29Å; P559-T563 WeakPolarHBondContact CG-OG1 3.19Å; P559-Y588 HydrophobicContact CB-CD1 4.09Å; P559-Y588 HydrophobicContact CB-CE1 3.87Å; P559-Y588 HydrophobicContact CG-CD1 4.16Å; P559-Y588 HydrophobicContact CG-CE1 3.89Å |
| 560 | S | 87.5 | Confident | 88.9 | Confident | 66 Ų | 66 | 53 Ų | 53 | 46% | 0.462 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -9.2 | 179.8 | 72.4 | 0 | 0 | 0 | 0 | 115 | M587 | S560-M587 WeakPolarHBondContact CB-O 3.36Å; S560-M587 PolarHBondContact N-O 3.12Å; S560-M587 PolarHBondContact OG-O 3.38Å |
| 561 | D | 82.6 | Confident | 89 | Confident | 77 Ų | 77 | 57.5 Ų | 57.5 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -3.2 | 179.7 | 60.9 | 10.7 | 0 | 0 | 0 | 113.2 | P559 T563 Q583 | P559-D561 VanDerWaalsContact CB-OD1 3.27Å; P559-D561 WeakPolarHBondContact CB-OD1 3.01Å; P559-D561 PolarHBondContact O-N 3.08Å; D561-T563 WeakPolarHBondContact OD1-CB 3.39Å; D561-T563 WeakPolarHBondContact OD1-CG2 3.37Å; D561-T563 PolarHBondContact OD1-N 3.28Å; D561-T563 PolarHBondContact OD1-OG1 2.04Å; D561-Q583 PolarHBondContact OD2-NE2 2.82Å |
| 562 | G | 75.3 | Confident | 88.9 | Confident | 71 Ų | 71 | 58.2 Ų | 58.2 | 73% | 0.732 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 82.2 | 10 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 563 | T | 84.6 | Confident | 88.8 | Confident | 73 Ų | 73 | 59 Ų | 59 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 159.3 | 167.6 | 54.2 | 0 | 0 | 0 | 0 | 111.6 | P559 D561 | P559-T563 VanDerWaalsContact CB-OG1 3.25Å; P559-T563 WeakPolarHBondContact CB-OG1 3.48Å; P559-T563 WeakPolarHBondContact CD-O 3.43Å; P559-T563 VanDerWaalsContact CG-OG1 3.29Å; P559-T563 WeakPolarHBondContact CG-OG1 3.19Å; D561-T563 WeakPolarHBondContact OD1-CB 3.39Å; D561-T563 WeakPolarHBondContact OD1-CG2 3.37Å; D561-T563 PolarHBondContact OD1-N 3.28Å; D561-T563 PolarHBondContact OD1-OG1 2.04Å |
| 564 | E | 84.6 | Confident | 88.7 | Confident | 175 Ų | 175 | 61.1 Ų | 61.1 | 82% | 0.818 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 140.7 | -171.6 | -67 | -169.2 | 146.7 | 0 | 0 | 112.8 | L566 | E564-L566 PolarHBondContact O-N 3.18Š|
| 565 | P | 86.8 | Confident | 88.6 | Confident | 70 Ų | 70 | 61.7 Ų | 61.7 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 126.4 | -178.8 | 28.6 | -34.4 | 0 | 0 | 0 | 110.9 | L557 M558 T567 | L557-P565 WeakPolarHBondContact O-CA 3.45Å; M558-P565 HydrophobicContact CG-CB 4.21Å; P565-T567 HydrophobicContact CB-CG2 4.16Å; P565-T567 HydrophobicContact CG-CG2 4.35Å; P565-T567 PolarHBondContact O-N 2.87Å; P565-T567 VanDerWaalsContact O-N 3.11Å |
| 566 | L | 90.4 | Very high | 88.6 | Confident | 82 Ų | 82 | 66.5 Ų | 66.5 | 43% | 0.429 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 106.2 | 172.1 | -65.1 | 166.7 | 0 | 0 | 0 | 107.7 | L557 E564 F579 L582 | L557-L566 HydrophobicContact CB-CB 4.21Å; L557-L566 HydrophobicContact CD2-CD1 4.24Å; L557-L566 PolarHBondContact N-O 3.26Å; L557-L566 PolarHBondContact O-N 3.03Å; E564-L566 PolarHBondContact O-N 3.18Å; L566-F579 HydrophobicContact CB-CD1 4.17Å; L566-F579 HydrophobicContact CB-CE1 3.99Å; L566-F579 WeakPolarHBondContact O-CE1 3.28Å; L566-L582 HydrophobicContact CD1-CD2 3.75Å |
| 567 | T | 91.1 | Very high | 88.7 | Confident | 99 Ų | 99 | 68.5 Ų | 68.5 | 61% | 0.607 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 140.7 | -179 | 64.6 | 0 | 0 | 0 | 0 | 111.2 | V555 P565 | V555-T567 WeakPolarHBondContact O-CA 3.05Å; P565-T567 HydrophobicContact CB-CG2 4.16Å; P565-T567 HydrophobicContact CG-CG2 4.35Å; P565-T567 PolarHBondContact O-N 2.87Å; P565-T567 VanDerWaalsContact O-N 3.11Å |
| 568 | V | 93 | Very high | 88.7 | Confident | 35 Ų | 35 | 71.5 Ų | 71.5 | 21% | 0.212 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 138.1 | 174.6 | 64.7 | 0 | 0 | 0 | 0 | 109.8 | H554 V555 L570 F579 | H554-V568 WeakPolarHBondContact CA-O 3.36Å; V555-V568 HydrophobicContact CB-CG1 3.86Å; V555-V568 PolarHBondContact N-O 2.87Å; V555-V568 PolarHBondContact O-N 2.83Å; V568-L570 HydrophobicContact CG1-CD1 4.3Å; V568-L570 HydrophobicContact CG1-CG 4.29Å; V568-L570 HydrophobicContact CG2-CD2 3.8Å; V568-L570 HydrophobicContact CG2-CG 4.2Å; V568-F579 HydrophobicContact CG1-CE1 4.25Å; V568-F579 HydrophobicContact CG1-CZ 3.96Å |
| 569 | V | 91.8 | Very high | 88.9 | Confident | 78 Ų | 78 | 68.9 Ų | 68.9 | 47% | 0.473 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 118.6 | 178.2 | -165.3 | 0 | 0 | 0 | 0 | 108.7 | R552 | R552-V569 HydrophobicContact CB-CG1 4.2Å; R552-V569 HydrophobicContact CG-CG1 4.4Å |
| 570 | L | 91.7 | Very high | 88.9 | Confident | 26 Ų | 26 | 71.4 Ų | 71.4 | 14% | 0.136 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 158.1 | -173.7 | -58.4 | 172.1 | 0 | 0 | 0 | 110.5 | W540 R552 V553 V555 V568 V574 H577 | W540-L570 HydrophobicContact CH2-CD1 3.7Å; W540-L570 HydrophobicContact CZ2-CD1 3.84Å; R552-L570 CarbonylContact C-O 3.57Å; R552-L570 VanDerWaalsContact CA-O 3.24Å; R552-L570 WeakPolarHBondContact CA-O 3.42Å; R552-L570 WeakPolarHBondContact CB-O 3Å; V553-L570 PolarHBondContact N-O 3.08Å; V553-L570 PolarHBondContact O-N 3.32Å; V555-L570 HydrophobicContact CG2-CD1 3.96Å; V568-L570 HydrophobicContact CG1-CD1 4.3Å; V568-L570 HydrophobicContact CG1-CG 4.29Å; V568-L570 HydrophobicContact CG2-CD2 3.8Å; V568-L570 HydrophobicContact CG2-CG 4.2Å; L570-V574 HydrophobicContact CB-CB 4.16Å; L570-V574 HydrophobicContact CB-CG1 4.43Å; L570-V574 HydrophobicContact CB-CG2 4.47Å; L570-V574 HydrophobicContact CD1-CG1 4.01Å; L570-H577 HydrophobicContact CD1-CB 3.99Å |
| 571 | N | 89.3 | Confident | 89.1 | Confident | 103 Ų | 103 | 73.7 Ų | 73.7 | 55% | 0.551 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 153.9 | 170.8 | -65.4 | -23.4 | 0 | 0 | 0 | 110.2 | S573 V574 | N571-S573 PolarHBondContact O-N 3.16Å; N571-S573 VanDerWaalsContact O-N 3.1Å; N571-V574 HydrophobicContact CB-CG2 4.45Å; N571-V574 WeakPolarHBondContact O-CB 3Å; N571-V574 PolarHBondContact O-N 2.03Å |
| 572 | S | 84.5 | Confident | 89.4 | Confident | 44 Ų | 44 | 70.4 Ų | 70.4 | 31% | 0.308 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21.2 | 177.7 | 50.2 | 0 | 0 | 0 | 0 | 114.6 | V550 V574 | V550-S572 WeakPolarHBondContact O-CB 3.37Å; V550-S572 PolarHBondContact O-OG 3.48Å; S572-V574 PolarHBondContact O-N 3.12Å |
| 573 | S | 86.6 | Confident | 90.1 | Very high | 99 Ų | 99 | 70.6 Ų | 70.6 | 69% | 0.692 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -2.5 | 174 | 67.4 | 0 | 0 | 0 | 0 | 114.8 | N571 | N571-S573 PolarHBondContact O-N 3.16Å; N571-S573 VanDerWaalsContact O-N 3.1Å |
| 574 | V | 89.7 | Confident | 90.3 | Very high | 44 Ų | 44 | 67.2 Ų | 67.2 | 27% | 0.267 | 39% | 0.388 | S | S | . | . | trans | -101.9 | 119 | -178.7 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | W540 L570 N571 S572 E576 | W540-V574 HydrophobicContact CZ2-CG1 4.47Å; W540-V574 VanDerWaalsContact CZ2-O 3.29Å; W540-V574 WeakPolarHBondContact CZ2-O 3.47Å; W540-V574 PolarHBondContact NE1-O 2.04Å; L570-V574 HydrophobicContact CB-CB 4.16Å; L570-V574 HydrophobicContact CB-CG1 4.43Å; L570-V574 HydrophobicContact CB-CG2 4.47Å; L570-V574 HydrophobicContact CD1-CG1 4.01Å; N571-V574 HydrophobicContact CB-CG2 4.45Å; N571-V574 WeakPolarHBondContact O-CB 3Å; N571-V574 PolarHBondContact O-N 2.03Å; S572-V574 PolarHBondContact O-N 3.12Å; V574-E576 WeakPolarHBondContact CG1-O 3.29Å | ||
| 575 | T | 89.9 | Confident | 90.3 | Very high | 61 Ų | 61 | 60 Ų | 60 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | trans | -107.4 | -3.5 | -176.8 | 46 | 0 | 0 | 0 | 0 | 113.8 | S539 W540 | S539-T575 CarbonylContact C-O 3.6Å; S539-T575 VanDerWaalsContact CA-O 3.3Å; S539-T575 WeakPolarHBondContact CA-O 3.46Å; W540-T575 PolarHBondContact N-O 2.9Å; W540-T575 VanDerWaalsContact O-CB 3.3Å; W540-T575 WeakPolarHBondContact O-CB 2.99Å; W540-T575 VanDerWaalsContact O-O 3.09Å | ||
| 576 | E | 93 | Very high | 90.4 | Very high | 100 Ų | 100 | 59.4 Ų | 59.4 | 47% | 0.467 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 152.8 | 179.3 | 61.4 | 174.1 | 176.4 | 0 | 0 | 112.7 | W537 L538 V574 | W537-E576 VanDerWaalsContact CZ2-OE2 3.3Å; W537-E576 WeakPolarHBondContact CZ2-OE2 3.38Å; W537-E576 PolarHBondContact NE1-OE2 2.71Å; L538-E576 VanDerWaalsContact O-CA 3.25Å; L538-E576 WeakPolarHBondContact O-CA 3.21Å; L538-E576 WeakPolarHBondContact O-CB 3.37Å; V574-E576 WeakPolarHBondContact CG1-O 3.29Å |
| 577 | H | 94 | Very high | 90.3 | Very high | 51 Ų | 51 | 57.6 Ų | 57.6 | 24% | 0.236 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 152.4 | 173.4 | -172.8 | 74.2 | 0 | 0 | 0 | 111.6 | L538 W540 L570 F579 | L538-H577 PolarHBondContact N-O 3.49Å; L538-H577 PolarHBondContact O-N 3.49Å; W540-H577 HydrophobicContact CH2-CB 3.72Å; W540-H577 HydrophobicContact CZ3-CB 4.11Å; L570-H577 HydrophobicContact CD1-CB 3.99Å; H577-F579 AromaticContact CD2-CD2 3.95Å; H577-F579 AromaticContact CD2-CE2 3.91Å |
| 578 | T | 94.5 | Very high | 90.4 | Very high | 63 Ų | 63 | 53.3 Ų | 53.3 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 110 | 177.2 | -62 | 0 | 0 | 0 | 0 | 110.7 | Q535 V536 | Q535-T578 HydrophobicContact CB-CG2 4.41Å; V536-T578 CarbonylContact O-C 3.59Å; V536-T578 VanDerWaalsContact O-CA 3.24Å; V536-T578 WeakPolarHBondContact O-CA 3.02Å |
| 579 | F | 94.3 | Very high | 90.3 | Very high | 15 Ų | 15 | 52.8 Ų | 52.8 | 7% | 0.066 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 146.9 | 168 | -68.7 | -84.9 | 0 | 0 | 0 | 109.9 | Q535 V536 L538 V555 L557 L566 V568 H577 L582 | Q535-F579 WeakPolarHBondContact CA-O 3.32Å; Q535-F579 WeakPolarHBondContact CB-O 3.02Å; V536-F579 HydrophobicContact CG1-CB 4.05Å; V536-F579 HydrophobicContact CG1-CD2 4.16Å; V536-F579 PolarHBondContact N-O 3.18Å; V536-F579 VanDerWaalsContact N-O 3.16Å; V536-F579 PolarHBondContact O-N 2.98Å; L538-F579 HydrophobicContact CD1-CD2 4.01Å; L538-F579 HydrophobicContact CD1-CE2 3.83Å; V555-F579 HydrophobicContact CB-CZ 4.41Å; V555-F579 HydrophobicContact CG1-CE2 3.6Å; V555-F579 HydrophobicContact CG1-CZ 3.87Å; L557-F579 HydrophobicContact CB-CD1 4.49Å; L557-F579 HydrophobicContact CB-CD2 4.31Å; L557-F579 HydrophobicContact CB-CE1 4.26Å; L557-F579 HydrophobicContact CB-CE2 4.05Å; L557-F579 HydrophobicContact CB-CZ 4.02Å; L557-F579 HydrophobicContact CD1-CD2 4.09Å; L557-F579 HydrophobicContact CD1-CE2 4.28Å; L557-F579 HydrophobicContact CD2-CB 4.33Å; L557-F579 HydrophobicContact CD2-CD2 4.45Å; L557-F579 HydrophobicContact CD2-CG 4.24Å; L566-F579 HydrophobicContact CB-CD1 4.17Å; L566-F579 HydrophobicContact CB-CE1 3.99Å; L566-F579 WeakPolarHBondContact O-CE1 3.28Å; V568-F579 HydrophobicContact CG1-CE1 4.25Å; V568-F579 HydrophobicContact CG1-CZ 3.96Å; H577-F579 AromaticContact CD2-CD2 3.95Å; H577-F579 AromaticContact CD2-CE2 3.91Å; F579-L582 HydrophobicContact CB-CD1 4.47Å; F579-L582 HydrophobicContact CB-CD2 4.41Å |
| 580 | S | 92.6 | Very high | 90.4 | Very high | 67 Ų | 67 | 49 Ų | 49 | 47% | 0.469 | 29% | 0.286 | S | S | . | . | trans | -134.9 | 173.9 | 178.9 | 64.5 | 0 | 0 | 0 | 0 | 111.8 | S534 L582 | S534-S580 CarbonylContact O-C 3.58Å; S534-S580 WeakPolarHBondContact O-CA 3.47Å; S580-L582 PolarHBondContact O-N 2.92Å | ||
| 581 | S | 89.9 | Confident | 90.3 | Very high | 115 Ų | 115 | 49 Ų | 49 | 80% | 0.804 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 61.6 | 25.5 | -176.2 | -55.5 | 0 | 0 | 0 | 0 | 114.9 | S534 | S534-S581 PolarHBondContact O-N 2.79Š|
| 582 | L | 90.3 | Very high | 90.5 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 155.7 | 175.9 | -53.9 | -176.1 | 0 | 0 | 0 | 112.2 | S534 V536 L557 L566 F579 S580 Y588 F615 T617 | S534-L582 WeakPolarHBondContact CA-O 3.01Å; S534-L582 WeakPolarHBondContact CB-O 3.46Å; S534-L582 PolarHBondContact O-N 3.04Å; V536-L582 HydrophobicContact CB-CD1 4.39Å; V536-L582 HydrophobicContact CG1-CD1 3.93Å; L557-L582 HydrophobicContact CD2-CD1 3.86Å; L557-L582 HydrophobicContact CD2-CD2 3.43Å; L557-L582 VanDerWaalsContact CD2-CD2 3.43Å; L557-L582 HydrophobicContact CD2-CG 4.31Å; L566-L582 HydrophobicContact CD1-CD2 3.75Å; F579-L582 HydrophobicContact CB-CD1 4.47Å; F579-L582 HydrophobicContact CB-CD2 4.41Å; S580-L582 PolarHBondContact O-N 2.92Å; L582-Y588 HydrophobicContact CB-CE2 4.15Å; L582-Y588 HydrophobicContact CD2-CE1 4.17Å; L582-F615 HydrophobicContact CD1-CZ 4.42Å; L582-T617 HydrophobicContact CB-CG2 4.06Å; L582-T617 HydrophobicContact CD1-CG2 4.13Å |
| 583 | Q | 88.9 | Confident | 90.8 | Very high | 76 Ų | 76 | 44 Ų | 44 | 36% | 0.355 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 138.4 | 174 | -57 | -166.9 | 60.7 | 0 | 0 | 110.3 | D561 H586 Y588 T617 | D561-Q583 PolarHBondContact OD2-NE2 2.82Å; Q583-H586 HydrophobicContact CB-CB 4.11Å; Q583-Y588 PolarHBondContact N-OH 2.97Å; Q583-T617 WeakPolarHBondContact O-CB 3.33Å; Q583-T617 WeakPolarHBondContact O-CG2 3.41Å; Q583-T617 PolarHBondContact O-OG1 2.84Å |
| 584 | A | 88.6 | Confident | 91 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 2% | 0.017 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 144.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S533 H586 T617 Y620 | S533-A584 WeakPolarHBondContact O-CA 3.48Å; S533-A584 VanDerWaalsContact O-CB 3.24Å; S533-A584 WeakPolarHBondContact O-CB 3.06Å; S533-A584 PolarHBondContact O-N 2.95Å; A584-H586 PolarHBondContact O-N 2.74Å; A584-H586 PolarHBondContact O-ND1 2.83Å; A584-T617 WeakPolarHBondContact CA-OG1 3.39Å; A584-Y620 HydrophobicContact CB-CD1 4.41Å; A584-Y620 HydrophobicContact CB-CD2 3.55Å; A584-Y620 HydrophobicContact CB-CE1 4.23Å; A584-Y620 HydrophobicContact CB-CE2 3.31Å; A584-Y620 HydrophobicContact CB-CG 4.1Å |
| 585 | A | 86.2 | Confident | 91.1 | Very high | 22 Ų | 22 | 38.2 Ų | 38.2 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 31.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | T617 R618 P619 K692 | A585-T617 VanDerWaalsContact CA-O 3.25Å; A585-T617 WeakPolarHBondContact CA-O 3.32Å; A585-T617 PolarHBondContact N-O 3.13Å; A585-T617 PolarHBondContact N-OG1 3.29Å; A585-R618 PolarHBondContact N-O 2.9Å; A585-P619 HydrophobicContact CB-CB 4.12Å; A585-K692 HydrophobicContact CB-CB 4.19Å; A585-K692 HydrophobicContact CB-CD 4.04Å; A585-K692 HydrophobicContact CB-CG 4.09Å |
| 586 | H | 88.1 | Confident | 90.9 | Very high | 58 Ų | 58 | 35.3 Ų | 35.3 | 27% | 0.269 | 20% | 0.197 | S | C | . | . | trans | -113.2 | 152.3 | 176.3 | -74.8 | 67 | 0 | 0 | 0 | 110.7 | Q583 A584 Y588 W616 T617 | Q583-H586 HydrophobicContact CB-CB 4.11Å; A584-H586 PolarHBondContact O-N 2.74Å; A584-H586 PolarHBondContact O-ND1 2.83Å; H586-Y588 HydrophobicContact CB-CE2 3.92Å; H586-W616 WeakPolarHBondContact O-CA 3.32Å; H586-T617 PolarHBondContact N-OG1 2.91Å; H586-T617 PolarHBondContact O-N 2.66Å; H586-T617 PolarHBondContact O-OG1 2.87Å | ||
| 587 | M | 89.4 | Confident | 90.1 | Very high | 44 Ų | 44 | 30.6 Ų | 30.6 | 22% | 0.217 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 137.9 | 179 | -168 | 174.6 | 67.3 | 0 | 0 | 110.8 | S560 F615 W616 | S560-M587 WeakPolarHBondContact CB-O 3.36Å; S560-M587 PolarHBondContact N-O 3.12Å; S560-M587 PolarHBondContact OG-O 3.38Å; M587-F615 WeakPolarHBondContact CA-O 3.48Å; M587-F615 WeakPolarHBondContact CG-O 3.12Å; M587-W616 HydrophobicContact CB-CD2 3.71Å; M587-W616 HydrophobicContact CB-CE3 3.97Å; M587-W616 HydrophobicContact CB-CG 4.27Å; M587-W616 HydrophobicContact CB-CH2 4.02Å; M587-W616 HydrophobicContact CB-CZ2 3.77Å; M587-W616 HydrophobicContact CB-CZ3 4.12Å; M587-W616 HydrophobicContact CG-CD2 4.16Å; M587-W616 HydrophobicContact CG-CG 4.35Å; M587-W616 HydrophobicContact CG-CZ2 4.17Å; M587-W616 HydrophobicContact SD-CZ2 3.83Å |
| 588 | Y | 91.8 | Very high | 88.7 | Confident | 9 Ų | 9 | 32.7 Ų | 32.7 | 4% | 0.035 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146.4 | 177.8 | -68.9 | -89.1 | 0 | 0 | 0 | 109.3 | L557 M558 P559 L582 Q583 H586 Q614 F615 T617 | L557-Y588 HydrophobicContact CD2-CD1 3.63Å; L557-Y588 HydrophobicContact CD2-CE1 4.05Å; L557-Y588 HydrophobicContact CD2-CG 4.18Å; L557-Y588 HydrophobicContact CG-CD1 3.93Å; L557-Y588 HydrophobicContact CG-CG 4.39Å; M558-Y588 CarbonylContact O-C 3.59Å; M558-Y588 WeakPolarHBondContact O-CA 3.28Å; P559-Y588 HydrophobicContact CB-CD1 4.09Å; P559-Y588 HydrophobicContact CB-CE1 3.87Å; P559-Y588 HydrophobicContact CG-CD1 4.16Å; P559-Y588 HydrophobicContact CG-CE1 3.89Å; L582-Y588 HydrophobicContact CB-CE2 4.15Å; L582-Y588 HydrophobicContact CD2-CE1 4.17Å; Q583-Y588 PolarHBondContact N-OH 2.97Å; H586-Y588 HydrophobicContact CB-CE2 3.92Å; Y588-Q614 WeakPolarHBondContact O-CA 3.41Å; Y588-F615 VanDerWaalsContact CB-CE1 3.46Å; Y588-F615 HydrophobicContact CD2-CE2 4.44Å; Y588-F615 HydrophobicContact CD2-CZ 4.26Å; Y588-F615 HydrophobicContact CG-CE1 4.49Å; Y588-F615 HydrophobicContact CG-CZ 4.15Å; Y588-F615 PolarHBondContact N-O 2.89Å; Y588-F615 WeakPolarHBondContact O-CD1 3.5Å; Y588-F615 PolarHBondContact O-N 2.04Å; Y588-T617 HydrophobicContact CD2-CG2 3.94Å; Y588-T617 HydrophobicContact CE2-CG2 3.77Å |
| 589 | T | 91.9 | Very high | 87 | Confident | 24 Ų | 24 | 37.1 Ų | 37.1 | 15% | 0.147 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 130.7 | 172.1 | -52.1 | 0 | 0 | 0 | 0 | 108.7 | M558 P612 L613 Q614 | M558-T589 PolarHBondContact N-O 2.98Å; M558-T589 PolarHBondContact O-N 2.83Å; T589-P612 HydrophobicContact CG2-CB 3.41Å; T589-P612 VanDerWaalsContact CG2-CB 3.41Å; T589-L613 WeakPolarHBondContact CA-O 3.05Å; T589-Q614 HydrophobicContact CG2-CG 4.03Å; T589-Q614 PolarHBondContact OG1-NE2 3.25Å |
| 590 | V | 92.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 130.6 | 173 | -173.7 | 0 | 0 | 0 | 0 | 108.9 | L538 L557 V592 P612 L613 F615 | L538-V590 HydrophobicContact CD1-CG1 3.69Å; L538-V590 HydrophobicContact CD1-CG2 4.21Å; L538-V590 HydrophobicContact CD2-CG1 4.22Å; L538-V590 HydrophobicContact CD2-CG2 3.82Å; L557-V590 HydrophobicContact CD1-CG2 3.9Å; V590-V592 HydrophobicContact CG1-CG2 4.14Å; V590-P612 WeakPolarHBondContact O-CA 3.5Å; V590-L613 HydrophobicContact CB-CB 4.33Å; V590-L613 PolarHBondContact N-O 2.77Å; V590-L613 PolarHBondContact O-N 2.96Å; V590-F615 HydrophobicContact CG2-CD1 3.95Å; V590-F615 HydrophobicContact CG2-CE1 3.67Å |
| 591 | D | 90.9 | Very high | 83 | Confident | 26 Ų | 26 | 45 Ų | 45 | 14% | 0.139 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 148.8 | 163 | -178.2 | 25.6 | 0 | 0 | 0 | 109.6 | S556 M558 S609 | S556-D591 PolarHBondContact N-O 3.19Å; S556-D591 PolarHBondContact O-N 3.46Å; S556-D591 WeakPolarHBondContact OG-CB 3.2Å; S556-D591 PolarHBondContact OG-O 2.03Å; M558-D591 HydrophobicContact CE-CB 3.94Å; M558-D591 HydrophobicContact SD-CB 4.16Å; D591-S609 VanDerWaalsContact OD1-CB 3.26Å; D591-S609 WeakPolarHBondContact OD1-CB 3.04Å; D591-S609 PolarHBondContact OD1-OG 3.32Å |
| 592 | V | 92.2 | Very high | 81.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 126.5 | 177.7 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | V523 L526 V553 H554 V555 V590 A610 | V523-V592 HydrophobicContact CG1-CG1 4Å; V523-V592 HydrophobicContact CG2-CB 4.04Å; V523-V592 HydrophobicContact CG2-CG1 3.63Å; L526-V592 HydrophobicContact CD1-CB 4.37Å; L526-V592 HydrophobicContact CD1-CG2 3.59Å; L526-V592 HydrophobicContact CD2-CB 4.18Å; L526-V592 HydrophobicContact CD2-CG2 3.83Å; L526-V592 HydrophobicContact CG-CG2 4.38Å; V553-V592 HydrophobicContact CG1-CG1 3.5Å; V553-V592 VanDerWaalsContact CG1-CG1 3.5Å; H554-V592 WeakPolarHBondContact O-CA 3Å; V555-V592 HydrophobicContact CB-CG2 4.45Å; V555-V592 HydrophobicContact CG1-CG2 4.06Å; V555-V592 HydrophobicContact CG2-CG1 4.24Å; V555-V592 HydrophobicContact CG2-CG2 4.17Å; V590-V592 HydrophobicContact CG1-CG2 4.14Å; V592-A610 HydrophobicContact CB-CB 4.38Å; V592-A610 PolarHBondContact O-N 2.96Å; V592-A610 VanDerWaalsContact O-N 3.11Å |
| 593 | L | 91.8 | Very high | 80.5 | Confident | 41 Ų | 41 | 48.8 Ų | 48.8 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.9 | -177 | -57.3 | 170.9 | 0 | 0 | 0 | 109.3 | H554 S607 | H554-L593 HydrophobicContact CB-CB 4.42Å; H554-L593 PolarHBondContact N-O 2.98Å; H554-L593 PolarHBondContact O-N 2.87Å; L593-S607 WeakPolarHBondContact CA-OG 3.04Å |
| 594 | T | 91.2 | Very high | 80.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 154.4 | 168.2 | 73.7 | 0 | 0 | 0 | 0 | 110 | P520 Q521 V523 V550 T606 S607 | P520-T594 WeakPolarHBondContact CB-OG1 3.29Å; P520-T594 WeakPolarHBondContact CG-OG1 3.24Å; Q521-T594 VanDerWaalsContact O-CG2 3.24Å; Q521-T594 WeakPolarHBondContact O-CG2 3.49Å; Q521-T594 PolarHBondContact O-OG1 2.93Å; V523-T594 HydrophobicContact CG1-CG2 3.49Å; V523-T594 VanDerWaalsContact CG1-CG2 3.49Å; V550-T594 HydrophobicContact CG1-CG2 4.12Å; V550-T594 HydrophobicContact CG2-CG2 4.21Å; T594-T606 CarbonylContact O-C 3.2Å; T594-T606 WeakPolarHBondContact O-CA 3.39Å; T594-S607 PolarHBondContact N-OG 3.3Å; T594-S607 PolarHBondContact O-N 2.97Å; T594-S607 WeakPolarHBondContact OG1-CB 3.45Å |
| 595 | Q | 89.8 | Confident | 80 | Confident | 21 Ų | 21 | 49.3 Ų | 49.3 | 10% | 0.098 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 137 | 173.3 | 174.2 | -178.7 | -25.3 | 0 | 0 | 110.3 | S551 R552 H554 G597 P604 S605 T606 | S551-Q595 PolarHBondContact N-O 3.08Å; R552-Q595 HydrophobicContact CB-CB 4.34Å; R552-Q595 PolarHBondContact N-O 2.03Å; R552-Q595 PolarHBondContact O-N 3.47Å; H554-Q595 PolarHBondContact NE2-OE1 3.48Å; Q595-G597 PolarHBondContact NE2-O 2.91Å; Q595-P604 HydrophobicContact CG-CB 4.37Å; Q595-S605 WeakPolarHBondContact CA-O 3.28Å; Q595-T606 HydrophobicContact CB-CG2 4.32Å |
| 596 | S | 86.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 144 | 163.8 | -167.6 | 0 | 0 | 0 | 0 | 111.1 | G489 R517 A549 P604 S605 | G489-S596 PolarHBondContact O-OG 3.15Å; R517-S596 PolarHBondContact NE-OG 3.49Å; R517-S596 PolarHBondContact NH2-OG 2.83Å; R517-S596 VanDerWaalsContact NH2-OG 3.15Å; A549-S596 WeakPolarHBondContact O-CB 3.48Å; A549-S596 PolarHBondContact O-OG 2.77Å; S596-P604 WeakPolarHBondContact O-CA 3.03Å; S596-S605 PolarHBondContact N-O 2.57Å; S596-S605 PolarHBondContact O-N 2.89Å |
| 597 | G | 76.6 | Confident | 80.4 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | trans | 92 | 126.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S551 Q595 | S551-G597 PolarHBondContact OG-N 2.81Å; Q595-G597 PolarHBondContact NE2-O 2.91Å | ||
| 598 | I | 63.8 | Low | 80.4 | Confident | 95 Ų | 95 | 50.3 Ų | 50.3 | 49% | 0.487 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -98.8 | -36.6 | -170.7 | -66.3 | 174 | 0 | 0 | 0 | 111 | S551 R552 E602 | S551-I598 VanDerWaalsContact CB-CG1 3.43Å; R552-I598 PolarHBondContact NH1-O 2.8Å; R552-I598 VanDerWaalsContact NH1-O 3.09Å; R552-I598 PolarHBondContact NH2-O 3.03Å; R552-I598 VanDerWaalsContact NH2-O 3.12Å; I598-E602 PolarHBondContact N-OE2 3.23Å |
| 599 | R | 59.6 | Low | 80.3 | Confident | 156 Ų | 156 | 51.8 Ų | 51.8 | 59% | 0.589 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -98.8 | 150.8 | -176.9 | -54.3 | -179.8 | 179.1 | -176.4 | -1.4 | 111.2 | D601 E602 | R599-D601 PolarHBondContact O-N 3.36Å; R599-E602 HydrophobicContact CB-CB 4.48Å; R599-E602 HydrophobicContact CB-CG 3.92Å; R599-E602 WeakPolarHBondContact CD-OE1 3.36Å; R599-E602 HydrophobicContact CG-CG 4.42Å; R599-E602 WeakPolarHBondContact CG-OE1 3.03Å; R599-E602 PolarHBondContact N-OE2 2.78Å; R599-E602 IonicContact NE-OE1 3.7Å; R599-E602 PolarHBondContact O-N 3.21Å |
| 600 | P | 47.9 | Very low | 80.1 | Confident | 115 Ų | 115 | 51.7 Ų | 51.7 | 75% | 0.747 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -55.4 | -31.3 | 170.9 | -24.2 | 35.3 | 0 | 0 | 0 | 112.7 | E602 | P600-E602 VanDerWaalsContact C-N 3.26Å; P600-E602 PolarHBondContact O-N 3.19Å |
| 601 | D | 54.7 | Low | 79.4 | Confident | 131 Ų | 131 | 52.7 Ų | 52.7 | 70% | 0.701 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -76.5 | -5.7 | -175.9 | -32.8 | -74.2 | 0 | 0 | 0 | 114 | R599 | R599-D601 PolarHBondContact O-N 3.36Š|
| 602 | E | 59.7 | Low | 78.7 | Confident | 64 Ų | 64 | 56 Ų | 56 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -103.4 | 12.3 | -170.2 | -72.8 | 169.4 | 173.7 | 0 | 0 | 114.5 | R517 I598 R599 P600 | R517-E602 PolarHBondContact NH1-O 2.59Å; I598-E602 PolarHBondContact N-OE2 3.23Å; R599-E602 HydrophobicContact CB-CB 4.48Å; R599-E602 HydrophobicContact CB-CG 3.92Å; R599-E602 WeakPolarHBondContact CD-OE1 3.36Å; R599-E602 HydrophobicContact CG-CG 4.42Å; R599-E602 WeakPolarHBondContact CG-OE1 3.03Å; R599-E602 PolarHBondContact N-OE2 2.78Å; R599-E602 IonicContact NE-OE1 3.7Å; R599-E602 PolarHBondContact O-N 3.21Å; P600-E602 VanDerWaalsContact C-N 3.26Å; P600-E602 PolarHBondContact O-N 3.19Å |
| 603 | F | 68.3 | Low | 78.5 | Confident | 138 Ų | 138 | 58.7 Ų | 58.7 | 61% | 0.605 | 32% | 0.32 | S | S | * | . | trans | 51.3 | 73.9 | -175.5 | -60.3 | -87.2 | 0 | 0 | 0 | 112.5 | R517 | R517-F603 WeakPolarHBondContact CD-O 3.41Š| ||
| 604 | P | 79.2 | Confident | 78.4 | Confident | 70 Ų | 70 | 63 Ų | 63 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | trans | -65 | 144 | -175.1 | 27.5 | -35.3 | 0 | 0 | 0 | 112.6 | Q595 S596 | Q595-P604 HydrophobicContact CG-CB 4.37Å; S596-P604 WeakPolarHBondContact O-CA 3.03Å | ||
| 605 | S | 87.1 | Confident | 78.4 | Confident | 19 Ų | 19 | 63.8 Ų | 63.8 | 13% | 0.133 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 137.7 | 180 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | R517 T518 P520 Q595 S596 | R517-S605 PolarHBondContact O-OG 3.46Å; T518-S605 PolarHBondContact O-OG 3.4Å; P520-S605 WeakPolarHBondContact CG-O 2.99Å; Q595-S605 WeakPolarHBondContact CA-O 3.28Å; S596-S605 PolarHBondContact N-O 2.57Å; S596-S605 PolarHBondContact O-N 2.89Å |
| 606 | T | 90.3 | Very high | 78.4 | Confident | 60 Ų | 60 | 66.3 Ų | 66.3 | 37% | 0.368 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 146.3 | -174.7 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | R519 T594 Q595 | R519-T606 VanDerWaalsContact CG-O 3.31Å; R519-T606 WeakPolarHBondContact CG-O 2.94Å; R519-T606 PolarHBondContact NH1-O 2.8Å; T594-T606 CarbonylContact O-C 3.2Å; T594-T606 WeakPolarHBondContact O-CA 3.39Å; Q595-T606 HydrophobicContact CB-CG2 4.32Å |
| 607 | S | 91.7 | Very high | 78.6 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 3% | 0.028 | 35% | 0.351 | C | S | . | . | trans | -65.3 | 174.9 | -178.6 | 70.1 | 0 | 0 | 0 | 0 | 113.5 | P520 L593 T594 | P520-S607 WeakPolarHBondContact O-CA 3.49Å; P520-S607 WeakPolarHBondContact O-CB 3.36Å; L593-S607 WeakPolarHBondContact CA-OG 3.04Å; T594-S607 PolarHBondContact N-OG 3.3Å; T594-S607 PolarHBondContact O-N 2.97Å; T594-S607 WeakPolarHBondContact OG1-CB 3.45Å | ||
| 608 | H | 90.5 | Very high | 79.3 | Confident | 81 Ų | 81 | 70.9 Ų | 70.9 | 38% | 0.375 | 37% | 0.368 | S | S | . | . | trans | -68.4 | 160.6 | 156.3 | -73.1 | -60.7 | 0 | 0 | 0 | 110.1 | E436 R519 R522 | E436-H608 IonicContact OE2-CD2 2.62Å; E436-H608 IonicContact OE2-CE1 3.56Å; E436-H608 PolarHBondContact OE2-CE1 2.81Å; E436-H608 IonicContact OE2-NE2 3.66Å; E436-H608 PolarHBondContact OE2-NE2 2.77Å; R519-H608 WeakPolarHBondContact CD-CD2 2.97Å; R519-H608 WeakPolarHBondContact CD-NE2 3.39Å; R519-H608 PolarHBondContact NE-NE2 2.98Å; R522-H608 WeakPolarHBondContact CB-O 3.27Å | ||
| 609 | S | 88.9 | Confident | 80.5 | Confident | 41 Ų | 41 | 66.6 Ų | 66.6 | 29% | 0.287 | 35% | 0.346 | S | S | . | . | trans | -59.7 | 135.3 | 175.1 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | D591 G611 | D591-S609 VanDerWaalsContact OD1-CB 3.26Å; D591-S609 WeakPolarHBondContact OD1-CB 3.04Å; D591-S609 PolarHBondContact OD1-OG 3.32Å; S609-G611 WeakPolarHBondContact OG-CA 3.2Å; S609-G611 PolarHBondContact OG-N 2.97Å; S609-G611 PolarHBondContact OG-O 2.91Å | ||
| 610 | A | 88.1 | Confident | 82 | Confident | 21 Ų | 21 | 62.9 Ų | 62.9 | 17% | 0.174 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -87.6 | -9.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113 | R522 V523 L526 V592 | R522-A610 HydrophobicContact CB-CB 4.37Å; V523-A610 HydrophobicContact CG2-CB 3.5Å; L526-A610 HydrophobicContact CB-CB 4.42Å; L526-A610 HydrophobicContact CD2-CB 4.05Å; V592-A610 HydrophobicContact CB-CB 4.38Å; V592-A610 PolarHBondContact O-N 2.96Å; V592-A610 VanDerWaalsContact O-N 3.11Å |
| 611 | G | 77.8 | Confident | 83.9 | Confident | 21 Ų | 21 | 59 Ų | 59 | 22% | 0.216 | 31% | 0.307 | C | S | . | . | trans | -97.1 | -151.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112 | S609 | S609-G611 WeakPolarHBondContact OG-CA 3.2Å; S609-G611 PolarHBondContact OG-N 2.97Å; S609-G611 PolarHBondContact OG-O 2.91Å | ||
| 612 | P | 77.5 | Confident | 85.5 | Confident | 96 Ų | 96 | 52.8 Ų | 52.8 | 62% | 0.623 | 27% | 0.274 | S | S | * | . | cis | -76.5 | 122.6 | -4.5 | 29.2 | -32.8 | 0 | 0 | 0 | 112.1 | T589 V590 | T589-P612 HydrophobicContact CG2-CB 3.41Å; T589-P612 VanDerWaalsContact CG2-CB 3.41Å; V590-P612 WeakPolarHBondContact O-CA 3.5Å | ||
| 613 | L | 87.2 | Confident | 86.9 | Confident | 56 Ų | 56 | 54.5 Ų | 54.5 | 29% | 0.293 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 112.5 | 169.2 | -66.6 | -176.2 | 0 | 0 | 0 | 110.3 | L526 L528 T589 V590 | L526-L613 HydrophobicContact CB-CD1 4.37Å; L526-L613 HydrophobicContact CD2-CD1 3.93Å; L526-L613 HydrophobicContact CD2-CG 4.28Å; L526-L613 HydrophobicContact CG-CD1 3.74Å; L528-L613 HydrophobicContact CD1-CB 4.04Å; L528-L613 HydrophobicContact CD1-CD1 3.83Å; T589-L613 WeakPolarHBondContact CA-O 3.05Å; V590-L613 HydrophobicContact CB-CB 4.33Å; V590-L613 PolarHBondContact N-O 2.77Å; V590-L613 PolarHBondContact O-N 2.96Å |
| 614 | Q | 90 | Very high | 87.9 | Confident | 133 Ų | 133 | 53.4 Ų | 53.4 | 62% | 0.621 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 136.8 | 178.7 | -62.6 | -168.2 | -39.2 | 0 | 0 | 111.4 | Y588 T589 | Y588-Q614 WeakPolarHBondContact O-CA 3.41Å; T589-Q614 HydrophobicContact CG2-CG 4.03Å; T589-Q614 PolarHBondContact OG1-NE2 3.25Å |
| 615 | F | 90.8 | Very high | 88.5 | Confident | 15 Ų | 15 | 51.4 Ų | 51.4 | 7% | 0.066 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 167.1 | 175.3 | 76.6 | -80.4 | 0 | 0 | 0 | 111.4 | L528 V531 V536 L557 L582 M587 Y588 V590 T617 | L528-F615 HydrophobicContact CD2-CB 3.45Å; L528-F615 VanDerWaalsContact CD2-CB 3.45Å; L528-F615 HydrophobicContact CD2-CD1 3.6Å; L528-F615 HydrophobicContact CD2-CD2 3.96Å; L528-F615 HydrophobicContact CD2-CE1 4.32Å; L528-F615 HydrophobicContact CD2-CG 3.38Å; V531-F615 HydrophobicContact CG1-CD2 3.75Å; V531-F615 HydrophobicContact CG1-CE2 3.96Å; V531-F615 HydrophobicContact CG2-CD2 3.92Å; V531-F615 HydrophobicContact CG2-CE2 4.42Å; V536-F615 HydrophobicContact CB-CE2 3.84Å; V536-F615 HydrophobicContact CB-CZ 3.69Å; V536-F615 HydrophobicContact CG1-CE1 4.34Å; V536-F615 HydrophobicContact CG1-CE2 4.3Å; V536-F615 HydrophobicContact CG1-CZ 3.65Å; V536-F615 HydrophobicContact CG2-CE1 4.29Å; V536-F615 HydrophobicContact CG2-CE2 3.99Å; V536-F615 HydrophobicContact CG2-CZ 3.86Å; L557-F615 HydrophobicContact CD1-CE1 3.77Å; L557-F615 HydrophobicContact CD1-CZ 3.99Å; L582-F615 HydrophobicContact CD1-CZ 4.42Å; M587-F615 WeakPolarHBondContact CA-O 3.48Å; M587-F615 WeakPolarHBondContact CG-O 3.12Å; Y588-F615 VanDerWaalsContact CB-CE1 3.46Å; Y588-F615 HydrophobicContact CD2-CE2 4.44Å; Y588-F615 HydrophobicContact CD2-CZ 4.26Å; Y588-F615 HydrophobicContact CG-CE1 4.49Å; Y588-F615 HydrophobicContact CG-CZ 4.15Å; Y588-F615 PolarHBondContact N-O 2.89Å; Y588-F615 WeakPolarHBondContact O-CD1 3.5Å; Y588-F615 PolarHBondContact O-N 2.04Å; V590-F615 HydrophobicContact CG2-CD1 3.95Å; V590-F615 HydrophobicContact CG2-CE1 3.67Å; F615-T617 HydrophobicContact CE2-CG2 4.13Å |
| 616 | W | 90.3 | Very high | 88.8 | Confident | 74 Ų | 74 | 53 Ų | 53 | 28% | 0.28 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134.3 | 174.4 | -69.7 | 75.8 | 0 | 0 | 0 | 109.9 | V531 H586 M587 T694 I699 | V531-W616 WeakPolarHBondContact CG1-O 3.42Å; H586-W616 WeakPolarHBondContact O-CA 3.32Å; M587-W616 HydrophobicContact CB-CD2 3.71Å; M587-W616 HydrophobicContact CB-CE3 3.97Å; M587-W616 HydrophobicContact CB-CG 4.27Å; M587-W616 HydrophobicContact CB-CH2 4.02Å; M587-W616 HydrophobicContact CB-CZ2 3.77Å; M587-W616 HydrophobicContact CB-CZ3 4.12Å; M587-W616 HydrophobicContact CG-CD2 4.16Å; M587-W616 HydrophobicContact CG-CG 4.35Å; M587-W616 HydrophobicContact CG-CZ2 4.17Å; M587-W616 HydrophobicContact SD-CZ2 3.83Å; W616-T694 HydrophobicContact CD2-CG2 3.64Å; W616-T694 VanDerWaalsContact CE2-CG2 3.48Å; W616-T694 HydrophobicContact CE3-CG2 4.26Å; W616-T694 HydrophobicContact CG-CG2 3.86Å; W616-T694 HydrophobicContact CZ2-CG2 3.98Å; W616-I699 HydrophobicContact CB-CD1 3.48Å; W616-I699 VanDerWaalsContact CB-CD1 3.48Å; W616-I699 HydrophobicContact CG-CD1 3.79Å |
| 617 | T | 91.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -65 | 146.8 | 168.4 | 52.7 | 0 | 0 | 0 | 0 | 110.3 | L582 Q583 A584 A585 H586 Y588 F615 | L582-T617 HydrophobicContact CB-CG2 4.06Å; L582-T617 HydrophobicContact CD1-CG2 4.13Å; Q583-T617 WeakPolarHBondContact O-CB 3.33Å; Q583-T617 WeakPolarHBondContact O-CG2 3.41Å; Q583-T617 PolarHBondContact O-OG1 2.84Å; A584-T617 WeakPolarHBondContact CA-OG1 3.39Å; A585-T617 VanDerWaalsContact CA-O 3.25Å; A585-T617 WeakPolarHBondContact CA-O 3.32Å; A585-T617 PolarHBondContact N-O 3.13Å; A585-T617 PolarHBondContact N-OG1 3.29Å; H586-T617 PolarHBondContact N-OG1 2.91Å; H586-T617 PolarHBondContact O-N 2.66Å; H586-T617 PolarHBondContact O-OG1 2.87Å; Y588-T617 HydrophobicContact CD2-CG2 3.94Å; Y588-T617 HydrophobicContact CE2-CG2 3.77Å; F615-T617 HydrophobicContact CE2-CG2 4.13Å |
| 618 | R | 90.3 | Very high | 88.8 | Confident | 97 Ų | 97 | 55.2 Ų | 55.2 | 37% | 0.366 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 147.1 | -178.5 | -60.9 | -170.8 | -167.2 | -162.9 | 1.9 | 111 | V531 S532 S533 A585 | V531-R618 WeakPolarHBondContact O-CD 3.38Å; V531-R618 PolarHBondContact O-NE 3.19Å; S532-R618 PolarHBondContact O-N 3.15Å; S533-R618 VanDerWaalsContact CA-O 3.23Å; S533-R618 WeakPolarHBondContact CA-O 3.47Å; S533-R618 WeakPolarHBondContact CB-O 3.35Å; A585-R618 PolarHBondContact N-O 2.9Å |
| 619 | P | 90.3 | Very high | 88.6 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 4% | 0.039 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 152.7 | 170.9 | 29.1 | -34.7 | 0 | 0 | 0 | 110.9 | A585 S690 K692 S701 | A585-P619 HydrophobicContact CB-CB 4.12Å; P619-S690 WeakPolarHBondContact CB-OG 3.48Å; P619-K692 HydrophobicContact CG-CB 4.5Å; P619-S701 WeakPolarHBondContact O-CB 3.37Å |
| 620 | Y | 89.8 | Confident | 88.7 | Confident | 77 Ų | 77 | 57.6 Ų | 57.6 | 30% | 0.302 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 136.5 | 177 | -75.6 | -65.3 | 0 | 0 | 0 | 111.3 | A584 H645 S690 | A584-Y620 HydrophobicContact CB-CD1 4.41Å; A584-Y620 HydrophobicContact CB-CD2 3.55Å; A584-Y620 HydrophobicContact CB-CE1 4.23Å; A584-Y620 HydrophobicContact CB-CE2 3.31Å; A584-Y620 HydrophobicContact CB-CG 4.1Å; Y620-H645 HydrophobicContact CD2-CB 4.06Å; Y620-H645 AromaticContact CD2-CD2 3.87Å; Y620-H645 AromaticContact CE2-CD2 3.55Å; Y620-H645 AromaticContact CE2-CG 3.96Å; Y620-H645 AromaticContact CE2-NE2 3.95Å; Y620-S690 PolarHBondContact O-OG 3.21Å |
| 621 | P | 88.6 | Confident | 88.8 | Confident | 33 Ų | 33 | 58.9 Ų | 58.9 | 21% | 0.214 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 152.6 | 175.6 | 27.7 | -34.3 | 0 | 0 | 0 | 111.3 | H642 Q704 | P621-H642 PolarHBondContact O-NE2 2.8Å; P621-Q704 HydrophobicContact CB-CG 3.93Å |
| 622 | P | 88.6 | Confident | 89.3 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.013 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -53 | 144.4 | 167.5 | -22 | 31.5 | 0 | 0 | 0 | 110.8 | W639 F650 L688 Q704 | P622-W639 HydrophobicContact CB-CB 4.3Å; P622-W639 HydrophobicContact CB-CG 4.31Å; P622-F650 HydrophobicContact CG-CD1 4.2Å; P622-F650 HydrophobicContact CG-CE1 4.18Å; P622-L688 HydrophobicContact CB-CD2 3.92Å; P622-L688 HydrophobicContact CG-CD2 3.77Å; P622-L688 HydrophobicContact CG-CG 3.89Å; P622-Q704 HydrophobicContact CB-CG 4.49Å; P622-Q704 WeakPolarHBondContact O-CG 3.48Å; P622-Q704 PolarHBondContact O-NE2 3.19Å |
| 623 | Q | 88.3 | Confident | 89.9 | Confident | 100 Ų | 100 | 59.7 Ų | 59.7 | 47% | 0.467 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 153.3 | 175.2 | -72.6 | -178.4 | -11.4 | 0 | 0 | 110.6 | L625 S640 | Q623-L625 VanDerWaalsContact C-N 3.29Å; Q623-L625 PolarHBondContact O-N 2.76Å; Q623-S640 PolarHBondContact O-N 3.25Å |
| 624 | N | 90.2 | Very high | 89.9 | Confident | 115 Ų | 115 | 58.2 Ų | 58.2 | 62% | 0.615 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.6 | 42.5 | 175.6 | -50 | -37.9 | 0 | 0 | 0 | 113.9 | S626 S640 | N624-S626 PolarHBondContact O-N 3.22Å; N624-S626 PolarHBondContact O-OG 3.13Å; N624-S626 VanDerWaalsContact O-OG 3.08Å; N624-S640 PolarHBondContact ND2-OG 3.28Å |
| 625 | L | 91.5 | Very high | 90 | Very high | 28 Ų | 28 | 51.9 Ų | 51.9 | 15% | 0.147 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 118 | 173.4 | 177.9 | 61.6 | 0 | 0 | 0 | 109.3 | Q623 I637 T638 W639 L688 Q704 L706 | Q623-L625 VanDerWaalsContact C-N 3.29Å; Q623-L625 PolarHBondContact O-N 2.76Å; L625-I637 HydrophobicContact CD1-CB 4.46Å; L625-I637 HydrophobicContact CD1-CD1 4.1Å; L625-T638 CarbonylContact C-O 3.56Å; L625-T638 WeakPolarHBondContact CA-O 3.33Å; L625-W639 HydrophobicContact CD1-CB 4.47Å; L625-L688 HydrophobicContact CD1-CD2 3.93Å; L625-L688 HydrophobicContact CD2-CB 4.04Å; L625-Q704 HydrophobicContact CD2-CB 4Å; L625-Q704 VanDerWaalsContact CD2-O 3.31Å; L625-Q704 WeakPolarHBondContact CD2-O 3.5Å; L625-L706 HydrophobicContact CD1-CD2 4.4Å; L625-L706 HydrophobicContact CD2-CB 3.83Å; L625-L706 HydrophobicContact CG-CB 4.05Å; L625-L706 HydrophobicContact CG-CD2 4.23Å |
| 626 | S | 93 | Very high | 90.1 | Very high | 51 Ų | 51 | 53.4 Ų | 53.4 | 36% | 0.357 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 164.7 | -169.5 | 46.9 | 0 | 0 | 0 | 0 | 111.5 | N624 I637 T638 | N624-S626 PolarHBondContact O-N 3.22Å; N624-S626 PolarHBondContact O-OG 3.13Å; N624-S626 VanDerWaalsContact O-OG 3.08Å; S626-I637 CarbonylContact O-C 3.53Å; S626-I637 WeakPolarHBondContact O-CA 3.43Å; S626-T638 PolarHBondContact N-O 2.92Å; S626-T638 PolarHBondContact O-N 2.84Å; S626-T638 PolarHBondContact OG-O 2.04Å; S626-T638 PolarHBondContact OG-OG1 3.28Å |
| 627 | L | 91.4 | Very high | 90.2 | Very high | 62 Ų | 62 | 49.9 Ų | 49.9 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 115.7 | -178.7 | -167.8 | 71.8 | 0 | 0 | 0 | 108.2 | V630 A635 I637 L706 F708 | L627-V630 HydrophobicContact CD1-CG2 4Å; L627-V630 HydrophobicContact CD2-CG2 3.43Å; L627-V630 VanDerWaalsContact CD2-CG2 3.43Å; L627-V630 HydrophobicContact CG-CG2 3.71Å; L627-A635 HydrophobicContact CD1-CB 4.21Å; L627-I637 HydrophobicContact CD1-CG2 4.05Å; L627-L706 HydrophobicContact CB-CD2 4.24Å; L627-L706 HydrophobicContact CD1-CD2 4.31Å; L627-F708 HydrophobicContact CD1-CB 4.35Å; L627-F708 HydrophobicContact CD1-CD1 3.75Å; L627-F708 HydrophobicContact CD1-CD2 4.47Å; L627-F708 HydrophobicContact CD1-CE1 4.13Å; L627-F708 HydrophobicContact CD1-CG 3.94Å; L627-F708 HydrophobicContact CD2-CB 3.47Å; L627-F708 VanDerWaalsContact CD2-CB 3.47Å; L627-F708 HydrophobicContact CD2-CD1 4.43Å; L627-F708 HydrophobicContact CD2-CG 3.96Å |
| 628 | S | 90.1 | Very high | 90.2 | Very high | 49 Ų | 49 | 51.6 Ų | 51.6 | 34% | 0.343 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -45.8 | -176.8 | 59.4 | 0 | 0 | 0 | 0 | 112.4 | L636 | S628-L636 PolarHBondContact N-O 2.91Å; S628-L636 WeakPolarHBondContact OG-CD2 3.4Å; S628-L636 VanDerWaalsContact OG-CG 3.24Å; S628-L636 WeakPolarHBondContact OG-CG 3.4Å; S628-L636 PolarHBondContact OG-O 3.13Å; S628-L636 VanDerWaalsContact OG-O 3.12Å |
| 629 | H | 87.1 | Confident | 90.4 | Very high | 134 Ų | 134 | 47.6 Ų | 47.6 | 62% | 0.62 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 140.7 | 179.2 | -61.1 | -41.9 | 0 | 0 | 0 | 111.8 | A635 L636 | H629-A635 CarbonylContact O-C 3.53Å; H629-A635 WeakPolarHBondContact O-CA 3.38Å; H629-L636 HydrophobicContact CB-CB 4.35Å; H629-L636 PolarHBondContact O-N 2.88Å |
| 630 | V | 91.4 | Very high | 90.2 | Very high | 38 Ų | 38 | 49.6 Ų | 49.6 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 138.9 | 175.5 | -174 | 0 | 0 | 0 | 0 | 109.3 | L627 L711 | L627-V630 HydrophobicContact CD1-CG2 4Å; L627-V630 HydrophobicContact CD2-CG2 3.43Å; L627-V630 VanDerWaalsContact CD2-CG2 3.43Å; L627-V630 HydrophobicContact CG-CG2 3.71Å; V630-L711 HydrophobicContact CG1-CG 4.35Å; V630-L711 WeakPolarHBondContact O-CD1 3.1Å |
| 631 | T | 90.4 | Very high | 89.5 | Confident | 48 Ų | 48 | 52.1 Ų | 52.1 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | trans | -126.9 | 178.7 | 173.5 | 72.1 | 0 | 0 | 0 | 0 | 109 | N633 S634 L711 | T631-N633 VanDerWaalsContact C-N 3.27Å; T631-N633 PolarHBondContact O-N 2.79Å; T631-N633 PolarHBondContact OG1-N 2.96Å; T631-N633 PolarHBondContact OG1-OD1 3.04Å; T631-S634 PolarHBondContact N-O 3.49Å; T631-S634 WeakPolarHBondContact OG1-CA 3.03Å; T631-S634 PolarHBondContact OG1-N 3.08Å; T631-S634 PolarHBondContact OG1-O 3.37Å; T631-S634 PolarHBondContact OG1-OG 2.04Å; T631-L711 PolarHBondContact O-N 2.04Å | ||
| 632 | P | 87.4 | Confident | 88.7 | Confident | 38 Ų | 38 | 52.7 Ų | 52.7 | 25% | 0.247 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -64 | -27.3 | 174.6 | -24.9 | 36.2 | 0 | 0 | 0 | 114.7 | T679 P680 L711 | P632-T679 CarbonylContact O-C 3.58Å; P632-P680 HydrophobicContact CB-CB 4.02Å; P632-P680 HydrophobicContact CB-CG 3.85Å; P632-P680 WeakPolarHBondContact O-CA 3.33Å; P632-P680 WeakPolarHBondContact O-CD 3.01Å; P632-P680 WeakPolarHBondContact O-CG 3.32Å; P632-P680 VanDerWaalsContact O-N 3.14Å; P632-L711 VanDerWaalsContact CA-O 3.26Å; P632-L711 WeakPolarHBondContact CA-O 3.24Å; P632-L711 WeakPolarHBondContact CB-O 3Å; P632-L711 HydrophobicContact CG-CB 4.11Å |
| 633 | N | 89.3 | Confident | 87.8 | Confident | 96 Ų | 96 | 58.7 Ų | 58.7 | 51% | 0.513 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -125.3 | -0.7 | -171.9 | 67.9 | 1.8 | 0 | 0 | 0 | 115.4 | T631 E677 L678 | T631-N633 VanDerWaalsContact C-N 3.27Å; T631-N633 PolarHBondContact O-N 2.79Å; T631-N633 PolarHBondContact OG1-N 2.96Å; T631-N633 PolarHBondContact OG1-OD1 3.04Å; N633-E677 PolarHBondContact O-N 3.31Å; N633-L678 WeakPolarHBondContact CA-O 3.25Å; N633-L678 PolarHBondContact O-N 2.87Å |
| 634 | S | 89 | Confident | 86.8 | Confident | 25 Ų | 25 | 64.6 Ų | 64.6 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | trans | -156.3 | 154.4 | -178.5 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | T631 L675 | T631-S634 PolarHBondContact N-O 3.49Å; T631-S634 WeakPolarHBondContact OG1-CA 3.03Å; T631-S634 PolarHBondContact OG1-N 3.08Å; T631-S634 PolarHBondContact OG1-O 3.37Å; T631-S634 PolarHBondContact OG1-OG 2.04Å; S634-L675 CarbonylContact C-O 3.59Å; S634-L675 WeakPolarHBondContact CA-O 3.31Å; S634-L675 WeakPolarHBondContact CB-O 3.26Å | ||
| 635 | A | 90.8 | Very high | 86 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.008 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 134.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L627 H629 T674 L675 L678 F708 | L627-A635 HydrophobicContact CD1-CB 4.21Å; H629-A635 CarbonylContact O-C 3.53Å; H629-A635 WeakPolarHBondContact O-CA 3.38Å; A635-T674 CarbonylContact O-C 3.59Å; A635-T674 WeakPolarHBondContact O-CA 3.41Å; A635-L675 PolarHBondContact N-O 2.83Å; A635-L675 PolarHBondContact O-N 3.32Å; A635-L678 HydrophobicContact CB-CD1 3.93Å; A635-F708 HydrophobicContact CB-CD2 4.33Å; A635-F708 HydrophobicContact CB-CE1 4.28Å; A635-F708 HydrophobicContact CB-CE2 3.54Å; A635-F708 HydrophobicContact CB-CZ 3.51Å |
| 636 | L | 92.3 | Very high | 85.5 | Confident | 46 Ų | 46 | 64.5 Ų | 64.5 | 24% | 0.241 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 116.3 | 174.6 | -178.6 | 62.6 | 0 | 0 | 0 | 109 | S628 H629 | S628-L636 PolarHBondContact N-O 2.91Å; S628-L636 WeakPolarHBondContact OG-CD2 3.4Å; S628-L636 VanDerWaalsContact OG-CG 3.24Å; S628-L636 WeakPolarHBondContact OG-CG 3.4Å; S628-L636 PolarHBondContact OG-O 3.13Å; S628-L636 VanDerWaalsContact OG-O 3.12Å; H629-L636 HydrophobicContact CB-CB 4.35Å; H629-L636 PolarHBondContact O-N 2.88Å |
| 637 | I | 93.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 152.6 | 171.1 | 60.3 | 152.9 | 0 | 0 | 0 | 110.4 | L625 S626 L627 W639 I652 S672 Y673 L706 | L625-I637 HydrophobicContact CD1-CB 4.46Å; L625-I637 HydrophobicContact CD1-CD1 4.1Å; S626-I637 CarbonylContact O-C 3.53Å; S626-I637 WeakPolarHBondContact O-CA 3.43Å; L627-I637 HydrophobicContact CD1-CG2 4.05Å; I637-W639 HydrophobicContact CD1-CE3 4.1Å; I637-W639 HydrophobicContact CD1-CZ3 3.75Å; I637-W639 HydrophobicContact CG1-CE3 4.5Å; I637-W639 HydrophobicContact CG1-CZ3 4.1Å; I637-I652 HydrophobicContact CD1-CD1 3.42Å; I637-I652 VanDerWaalsContact CD1-CD1 3.42Å; I637-I652 HydrophobicContact CG1-CD1 4.45Å; I637-S672 CarbonylContact O-C 3.57Å; I637-S672 VanDerWaalsContact O-CA 3.22Å; I637-S672 WeakPolarHBondContact O-CA 3.35Å; I637-S672 WeakPolarHBondContact O-CB 3.41Å; I637-Y673 VanDerWaalsContact CG1-O 3.25Å; I637-Y673 WeakPolarHBondContact CG1-O 3.03Å; I637-Y673 PolarHBondContact N-O 2.86Å; I637-Y673 PolarHBondContact O-N 3.46Å; I637-L706 HydrophobicContact CB-CD2 4.41Å; I637-L706 HydrophobicContact CG2-CD2 3.65Å |
| 638 | T | 92.6 | Very high | 84.9 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 23% | 0.227 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 150.1 | -178.8 | 44.8 | 0 | 0 | 0 | 0 | 110.9 | L625 S626 G671 | L625-T638 CarbonylContact C-O 3.56Å; L625-T638 WeakPolarHBondContact CA-O 3.33Å; S626-T638 PolarHBondContact N-O 2.92Å; S626-T638 PolarHBondContact O-N 2.84Å; S626-T638 PolarHBondContact OG-O 2.04Å; S626-T638 PolarHBondContact OG-OG1 3.28Å; T638-G671 CarbonylContact C-O 3.58Å; T638-G671 WeakPolarHBondContact CA-O 3.49Å |
| 639 | W | 92.5 | Very high | 84.8 | Confident | 13 Ų | 13 | 60.4 Ų | 60.4 | 5% | 0.049 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 153.1 | 175 | 62 | 90.9 | 0 | 0 | 0 | 111.1 | P622 L625 I637 F650 L665 L670 G671 L688 | P622-W639 HydrophobicContact CB-CB 4.3Å; P622-W639 HydrophobicContact CB-CG 4.31Å; L625-W639 HydrophobicContact CD1-CB 4.47Å; I637-W639 HydrophobicContact CD1-CE3 4.1Å; I637-W639 HydrophobicContact CD1-CZ3 3.75Å; I637-W639 HydrophobicContact CG1-CE3 4.5Å; I637-W639 HydrophobicContact CG1-CZ3 4.1Å; W639-F650 AromaticContact CZ2-CD2 3.89Å; W639-F650 HydrophobicContact CZ2-CD2 3.89Å; W639-F650 AromaticContact CZ2-CE2 3.94Å; W639-F650 HydrophobicContact CZ2-CE2 3.94Å; W639-F650 HydrophobicContact CZ2-CG 4.29Å; W639-F650 HydrophobicContact CZ2-CZ 4.4Å; W639-F650 AromaticContact NE1-CE1 3.76Å; W639-F650 AromaticContact NE1-CE2 3.78Å; W639-F650 AromaticContact NE1-CZ 3.42Å; W639-L665 HydrophobicContact CH2-CD1 4.39Å; W639-L670 HydrophobicContact CH2-CB 4.35Å; W639-L670 HydrophobicContact CZ2-CB 3.77Å; W639-L670 PolarHBondContact NE1-O 2.96Å; W639-G671 PolarHBondContact N-O 3.45Å; W639-G671 WeakPolarHBondContact O-CA 3.45Å; W639-L688 HydrophobicContact CB-CD2 4.43Å; W639-L688 HydrophobicContact CD2-CD2 3.58Å; W639-L688 HydrophobicContact CE3-CD2 3.6Å; W639-L688 HydrophobicContact CG-CD2 3.97Å; W639-L688 HydrophobicContact CH2-CD2 4.48Å; W639-L688 HydrophobicContact CZ2-CD2 4.48Å; W639-L688 HydrophobicContact CZ3-CD2 4.07Å |
| 640 | S | 86.9 | Confident | 84.8 | Confident | 48 Ų | 48 | 54.4 Ų | 54.4 | 34% | 0.336 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 132.9 | 175.5 | -65.7 | 0 | 0 | 0 | 0 | 111.1 | Q623 N624 | Q623-S640 PolarHBondContact O-N 3.25Å; N624-S640 PolarHBondContact ND2-OG 3.28Å |
| 641 | R | 76 | Confident | 84.6 | Confident | 131 Ų | 131 | 53.4 Ų | 53.4 | 49% | 0.494 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 126.1 | 177.7 | 172.1 | 175.1 | 163.4 | -165.8 | -15 | 110.9 | K669 | R641-K669 WeakPolarHBondContact CD-O 3.32Š|
| 642 | H | 71.6 | Confident | 84.4 | Confident | 44 Ų | 44 | 51.2 Ų | 51.2 | 20% | 0.204 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 128.8 | 169.6 | -71.6 | -58.6 | 0 | 0 | 0 | 110.7 | P621 H645 | P621-H642 PolarHBondContact O-NE2 2.8Å; H642-H645 VanDerWaalsContact CB-O 3.24Å; H642-H645 WeakPolarHBondContact CB-O 3.33Å |
| 643 | V | 68.8 | Low | 84.5 | Confident | 128 Ų | 128 | 51.3 Ų | 51.3 | 78% | 0.776 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -86.6 | -38.6 | -176.2 | -177.9 | 0 | 0 | 0 | 0 | 112 | ||
| 644 | R | 68.3 | Low | 84.3 | Confident | 225 Ų | 225 | 47.7 Ų | 47.7 | 85% | 0.849 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -93 | -23.1 | -177.9 | -64.4 | -157.8 | -68.8 | -136.4 | 3.3 | 115 | ||
| 645 | H | 72.7 | Confident | 84.1 | Confident | 75 Ų | 75 | 48.1 Ų | 48.1 | 35% | 0.347 | 24% | 0.24 | S | C | . | . | trans | -125.6 | 92.3 | 179.7 | -55.9 | -73.3 | 0 | 0 | 0 | 109.3 | Y620 H642 | Y620-H645 HydrophobicContact CD2-CB 4.06Å; Y620-H645 AromaticContact CD2-CD2 3.87Å; Y620-H645 AromaticContact CE2-CD2 3.55Å; Y620-H645 AromaticContact CE2-CG 3.96Å; Y620-H645 AromaticContact CE2-NE2 3.95Å; H642-H645 VanDerWaalsContact CB-O 3.24Å; H642-H645 WeakPolarHBondContact CB-O 3.33Å | ||
| 646 | V | 81.3 | Confident | 83.7 | Confident | 65 Ų | 65 | 52.4 Ų | 52.4 | 39% | 0.394 | 26% | 0.256 | S | S | . | . | trans | -89.6 | 120.4 | 178.1 | -175.8 | 0 | 0 | 0 | 0 | 108 | K669 | V646-K669 HydrophobicContact CG1-CG 3.96Š| ||
| 647 | P | 85.5 | Confident | 83 | Confident | 19 Ų | 19 | 53.3 Ų | 53.3 | 12% | 0.123 | 28% | 0.277 | C | S | . | . | trans | -71.5 | 169.3 | 174.8 | 31.5 | -34.8 | 0 | 0 | 0 | 110.8 | G649 F650 G668 V691 | P647-G649 VanDerWaalsContact C-N 3.31Å; P647-F650 HydrophobicContact CG-CE1 3.93Å; P647-F650 HydrophobicContact CG-CE2 4.32Å; P647-F650 HydrophobicContact CG-CZ 3.76Å; P647-G668 VanDerWaalsContact O-CA 3.32Å; P647-G668 WeakPolarHBondContact O-CA 3.45Å; P647-V691 WeakPolarHBondContact CB-O 3.4Å | ||
| 648 | D | 86.6 | Confident | 81.8 | Confident | 57 Ų | 57 | 61.6 Ų | 61.6 | 31% | 0.305 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -76.4 | -26.6 | 175.9 | -56.5 | -27 | 0 | 0 | 0 | 110.9 | P666 V691 K692 N693 | D648-P666 CarbonylContact O-C 3.57Å; D648-V691 PolarHBondContact N-O 2.87Å; D648-K692 IonicContact OD1-NZ 2.74Å; D648-K692 PolarHBondContact OD1-NZ 3.06Å; D648-K692 WeakPolarHBondContact OD2-CD 3.1Å; D648-K692 WeakPolarHBondContact OD2-CE 3.14Å; D648-K692 IonicContact OD2-NZ 2.92Å; D648-K692 PolarHBondContact OD2-NZ 3.39Å; D648-N693 PolarHBondContact OD2-N 3.26Å |
| 649 | G | 87.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.5 | -165.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | P647 L665 V691 | P647-G649 VanDerWaalsContact C-N 3.31Å; G649-L665 CarbonylContact C-O 3.45Å; G649-L665 WeakPolarHBondContact CA-O 3.13Å; G649-V691 PolarHBondContact N-O 3.17Å; G649-V691 PolarHBondContact O-N 2.92Å |
| 650 | F | 87.1 | Confident | 80 | Confident | 9 Ų | 9 | 68.3 Ų | 68.3 | 4% | 0.039 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 146.5 | 173.6 | -58.2 | -85 | 0 | 0 | 0 | 110.6 | P622 W639 P647 F664 L665 L670 L688 M689 | P622-F650 HydrophobicContact CG-CD1 4.2Å; P622-F650 HydrophobicContact CG-CE1 4.18Å; W639-F650 AromaticContact CZ2-CD2 3.89Å; W639-F650 HydrophobicContact CZ2-CD2 3.89Å; W639-F650 AromaticContact CZ2-CE2 3.94Å; W639-F650 HydrophobicContact CZ2-CE2 3.94Å; W639-F650 HydrophobicContact CZ2-CG 4.29Å; W639-F650 HydrophobicContact CZ2-CZ 4.4Å; W639-F650 AromaticContact NE1-CE1 3.76Å; W639-F650 AromaticContact NE1-CE2 3.78Å; W639-F650 AromaticContact NE1-CZ 3.42Å; P647-F650 HydrophobicContact CG-CE1 3.93Å; P647-F650 HydrophobicContact CG-CE2 4.32Å; P647-F650 HydrophobicContact CG-CZ 3.76Å; F650-F664 CarbonylContact O-C 3.41Å; F650-F664 WeakPolarHBondContact O-CA 3.05Å; F650-F664 WeakPolarHBondContact O-CD2 3.4Å; F650-L665 HydrophobicContact CB-CB 4.37Å; F650-L665 HydrophobicContact CB-CD1 4.48Å; F650-L665 PolarHBondContact N-O 3.03Å; F650-L665 PolarHBondContact O-N 2.93Å; F650-L670 HydrophobicContact CD2-CB 4.4Å; F650-L670 HydrophobicContact CE2-CB 4.19Å; F650-L688 HydrophobicContact CB-CD1 4.1Å; F650-M689 CarbonylContact C-O 3.46Å; F650-M689 WeakPolarHBondContact CA-O 3.22Å; F650-M689 WeakPolarHBondContact CB-O 3.46Å |
| 651 | V | 86.6 | Confident | 79.5 | Confident | 16 Ų | 16 | 74.1 Ų | 74.1 | 10% | 0.097 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 131.8 | 164.1 | 167.3 | 0 | 0 | 0 | 0 | 108.6 | N653 R663 F664 M689 V691 | V651-N653 WeakPolarHBondContact CG1-OD1 3.35Å; V651-R663 WeakPolarHBondContact CA-O 3.45Å; V651-F664 HydrophobicContact CG2-CB 4.41Å; V651-F664 HydrophobicContact CG2-CD2 3.9Å; V651-M689 HydrophobicContact CB-CE 4.18Å; V651-M689 HydrophobicContact CG1-CE 3.77Å; V651-M689 PolarHBondContact N-O 2.98Å; V651-M689 PolarHBondContact O-N 3.11Å; V651-V691 HydrophobicContact CB-CG2 4.34Å; V651-V691 HydrophobicContact CG2-CG2 3.82Å |
| 652 | I | 87.6 | Confident | 79.7 | Confident | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 122.2 | 172.3 | -175.5 | 160.1 | 0 | 0 | 0 | 110.4 | I637 V654 S662 R663 L665 Y673 L675 V686 A687 L688 | I637-I652 HydrophobicContact CD1-CD1 3.42Å; I637-I652 VanDerWaalsContact CD1-CD1 3.42Å; I637-I652 HydrophobicContact CG1-CD1 4.45Å; I652-V654 HydrophobicContact CG1-CG2 4.09Å; I652-S662 CarbonylContact O-C 3.56Å; I652-S662 WeakPolarHBondContact O-CA 3.07Å; I652-R663 HydrophobicContact CG2-CB 4Å; I652-R663 PolarHBondContact N-O 2.85Å; I652-R663 PolarHBondContact O-N 2.03Å; I652-L665 HydrophobicContact CG2-CD1 4.25Å; I652-L665 HydrophobicContact CG2-CG 4.47Å; I652-Y673 HydrophobicContact CD1-CD1 4.35Å; I652-Y673 HydrophobicContact CG2-CD1 4.44Å; I652-Y673 HydrophobicContact CG2-CE1 4.42Å; I652-L675 HydrophobicContact CD1-CD2 3.73Å; I652-L675 HydrophobicContact CD1-CG 4.41Å; I652-L675 HydrophobicContact CG1-CD2 4.44Å; I652-V686 HydrophobicContact CD1-CG1 3.65Å; I652-V686 HydrophobicContact CG1-CG1 3.72Å; I652-A687 WeakPolarHBondContact CA-O 3Å; I652-L688 HydrophobicContact CB-CD1 3.91Å; I652-L688 HydrophobicContact CD1-CD1 4.35Å; I652-L688 HydrophobicContact CG1-CD1 4.38Å |
| 653 | N | 88.6 | Confident | 80.1 | Confident | 41 Ų | 41 | 76.7 Ų | 76.7 | 22% | 0.219 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.7 | 174.4 | -68.1 | -11.3 | 0 | 0 | 0 | 108.7 | V651 T660 R661 S662 V686 A687 | V651-N653 WeakPolarHBondContact CG1-OD1 3.35Å; N653-T660 HydrophobicContact CB-CG2 3.99Å; N653-R661 WeakPolarHBondContact CA-O 3.44Å; N653-S662 WeakPolarHBondContact OD1-CA 3.36Å; N653-S662 WeakPolarHBondContact OD1-CB 3.48Å; N653-V686 CarbonylContact O-C 3.5Å; N653-V686 VanDerWaalsContact O-CA 3.32Å; N653-V686 WeakPolarHBondContact O-CA 2.96Å; N653-A687 HydrophobicContact CB-CB 4.38Å; N653-A687 PolarHBondContact N-O 3Å; N653-A687 PolarHBondContact O-N 3.14Å |
| 654 | V | 85.5 | Confident | 80.8 | Confident | 19 Ų | 19 | 74.5 Ų | 74.5 | 12% | 0.115 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 114.3 | -178.9 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | I652 T660 R661 L675 Y684 V686 | I652-V654 HydrophobicContact CG1-CG2 4.09Å; V654-T660 CarbonylContact O-C 3.57Å; V654-T660 WeakPolarHBondContact O-CA 3.04Å; V654-R661 PolarHBondContact N-O 2.79Å; V654-R661 PolarHBondContact O-N 2.85Å; V654-L675 HydrophobicContact CG1-CD1 4.46Å; V654-L675 HydrophobicContact CG2-CD1 3.9Å; V654-L675 HydrophobicContact CG2-CD2 3.6Å; V654-L675 HydrophobicContact CG2-CG 4.4Å; V654-Y684 HydrophobicContact CG1-CD1 3.67Å; V654-Y684 HydrophobicContact CG1-CE1 4.23Å; V654-V686 HydrophobicContact CG1-CG2 4.49Å; V654-V686 HydrophobicContact CG2-CG2 4.37Å |
| 655 | T | 84.4 | Confident | 81.6 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 21% | 0.209 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131.8 | -172.5 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | G657 N659 T660 Y684 Y685 | T655-G657 VanDerWaalsContact CG2-O 3.32Å; T655-G657 WeakPolarHBondContact CG2-O 3.03Å; T655-N659 CarbonylContact C-O 3.39Å; T655-N659 WeakPolarHBondContact CA-O 3.41Å; T655-T660 WeakPolarHBondContact CG2-OG1 3.47Å; T655-T660 WeakPolarHBondContact OG1-CG2 3.21Å; T655-T660 PolarHBondContact OG1-OG1 2.85Å; T655-Y684 WeakPolarHBondContact O-CA 3.45Å; T655-Y685 PolarHBondContact N-O 2.67Å; T655-Y685 PolarHBondContact O-N 3.48Å |
| 656 | R | 83.1 | Confident | 82 | Confident | 91 Ų | 91 | 65.8 Ų | 65.8 | 34% | 0.343 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 103.8 | 176.8 | -166.9 | -167 | 74 | 172.7 | 1.5 | 109.4 | L658 N659 T679 Y684 | R656-L658 PolarHBondContact O-N 3.2Å; R656-N659 PolarHBondContact N-O 2.76Å; R656-N659 PolarHBondContact O-N 2.96Å; R656-T679 VanDerWaalsContact NH1-CG2 3.31Å; R656-T679 PolarHBondContact NH1-OG1 3.14Å; R656-Y684 HydrophobicContact CB-CD1 3.87Å; R656-Y684 HydrophobicContact CB-CE1 3.68Å; R656-Y684 HydrophobicContact CG-CD1 4.19Å; R656-Y684 HydrophobicContact CG-CE1 3.86Å |
| 657 | G | 75.8 | Confident | 82.1 | Confident | 65 Ų | 65 | 66.4 Ų | 66.4 | 67% | 0.67 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | -126.6 | -166.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | T655 | T655-G657 VanDerWaalsContact CG2-O 3.32Å; T655-G657 WeakPolarHBondContact CG2-O 3.03Å |
| 658 | L | 69 | Low | 81.8 | Confident | 174 Ų | 174 | 65.8 Ų | 65.8 | 91% | 0.911 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -12.1 | 177 | -58.9 | 176.7 | 0 | 0 | 0 | 114 | R656 | R656-L658 PolarHBondContact O-N 3.2Š|
| 659 | N | 71.1 | Confident | 81.7 | Confident | 111 Ų | 111 | 69.2 Ų | 69.2 | 59% | 0.594 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 114.5 | -171 | -69 | -1.9 | 0 | 0 | 0 | 111.7 | T655 R656 | T655-N659 CarbonylContact C-O 3.39Å; T655-N659 WeakPolarHBondContact CA-O 3.41Å; R656-N659 PolarHBondContact N-O 2.76Å; R656-N659 PolarHBondContact O-N 2.96Å |
| 660 | T | 76.8 | Confident | 81.6 | Confident | 80 Ų | 80 | 71.5 Ų | 71.5 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 132 | 174.7 | -60 | 0 | 0 | 0 | 0 | 111.4 | N653 V654 T655 | N653-T660 HydrophobicContact CB-CG2 3.99Å; V654-T660 CarbonylContact O-C 3.57Å; V654-T660 WeakPolarHBondContact O-CA 3.04Å; T655-T660 WeakPolarHBondContact CG2-OG1 3.47Å; T655-T660 WeakPolarHBondContact OG1-CG2 3.21Å; T655-T660 PolarHBondContact OG1-OG1 2.85Å |
| 661 | R | 76 | Confident | 81.6 | Confident | 170 Ų | 170 | 72.3 Ų | 72.3 | 64% | 0.642 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 118.6 | 170.3 | -70.2 | -178 | 172.1 | -165.9 | -4.2 | 109.6 | N653 V654 E677 | N653-R661 WeakPolarHBondContact CA-O 3.44Å; V654-R661 PolarHBondContact N-O 2.79Å; V654-R661 PolarHBondContact O-N 2.85Å; R661-E677 IonicContact NH1-OE2 3.49Å; R661-E677 PolarHBondContact NH1-OE2 2.89Å |
| 662 | S | 80 | Confident | 81.8 | Confident | 92 Ų | 92 | 74.1 Ų | 74.1 | 64% | 0.643 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 150.3 | 174.7 | 53.2 | 0 | 0 | 0 | 0 | 111.8 | I652 N653 | I652-S662 CarbonylContact O-C 3.56Å; I652-S662 WeakPolarHBondContact O-CA 3.07Å; N653-S662 WeakPolarHBondContact OD1-CA 3.36Å; N653-S662 WeakPolarHBondContact OD1-CB 3.48Å |
| 663 | R | 79.8 | Confident | 82 | Confident | 137 Ų | 137 | 76.5 Ų | 76.5 | 52% | 0.517 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 133.6 | 171.5 | -176.4 | 175.2 | -67 | -144.9 | 2.3 | 110.8 | V651 I652 L665 Y673 | V651-R663 WeakPolarHBondContact CA-O 3.45Å; I652-R663 HydrophobicContact CG2-CB 4Å; I652-R663 PolarHBondContact N-O 2.85Å; I652-R663 PolarHBondContact O-N 2.03Å; R663-L665 HydrophobicContact CG-CD2 4.33Å; R663-Y673 VanDerWaalsContact CD-OH 3.25Å; R663-Y673 WeakPolarHBondContact CD-OH 3.43Å; R663-Y673 PolarHBondContact NH1-OH 2.86Å; R663-Y673 VanDerWaalsContact NH1-OH 3.16Å |
| 664 | F | 83.5 | Confident | 82.1 | Confident | 83 Ų | 83 | 76.7 Ų | 76.7 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 143.4 | 170.2 | -179 | -122 | 0 | 0 | 0 | 111.2 | F650 V651 P666 V691 | F650-F664 CarbonylContact O-C 3.41Å; F650-F664 WeakPolarHBondContact O-CA 3.05Å; F650-F664 WeakPolarHBondContact O-CD2 3.4Å; V651-F664 HydrophobicContact CG2-CB 4.41Å; V651-F664 HydrophobicContact CG2-CD2 3.9Å; F664-P666 HydrophobicContact CD1-CB 4.24Å; F664-P666 HydrophobicContact CE1-CB 3.68Å; F664-P666 HydrophobicContact CZ-CB 4.3Å; F664-V691 HydrophobicContact CD2-CG2 4.26Å; F664-V691 HydrophobicContact CE2-CB 4.07Å; F664-V691 HydrophobicContact CE2-CG1 4.24Å; F664-V691 HydrophobicContact CE2-CG2 3.95Å |
| 665 | L | 84.8 | Confident | 82.2 | Confident | 12 Ų | 12 | 76.3 Ų | 76.3 | 6% | 0.063 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 100.2 | 179.5 | -57.3 | 177.8 | 0 | 0 | 0 | 108.1 | W639 G649 F650 I652 R663 N667 L670 Y673 | W639-L665 HydrophobicContact CH2-CD1 4.39Å; G649-L665 CarbonylContact C-O 3.45Å; G649-L665 WeakPolarHBondContact CA-O 3.13Å; F650-L665 HydrophobicContact CB-CB 4.37Å; F650-L665 HydrophobicContact CB-CD1 4.48Å; F650-L665 PolarHBondContact N-O 3.03Å; F650-L665 PolarHBondContact O-N 2.93Å; I652-L665 HydrophobicContact CG2-CD1 4.25Å; I652-L665 HydrophobicContact CG2-CG 4.47Å; R663-L665 HydrophobicContact CG-CD2 4.33Å; L665-N667 PolarHBondContact O-N 3.22Å; L665-L670 HydrophobicContact CB-CD1 3.95Å; L665-L670 HydrophobicContact CD1-CD1 4.4Å; L665-Y673 HydrophobicContact CD1-CD1 4.24Å; L665-Y673 HydrophobicContact CD1-CD2 4.08Å; L665-Y673 HydrophobicContact CD1-CG 3.92Å; L665-Y673 HydrophobicContact CD2-CD2 3.95Å; L665-Y673 HydrophobicContact CD2-CE1 4.31Å; L665-Y673 HydrophobicContact CD2-CE2 3.66Å; L665-Y673 HydrophobicContact CD2-CG 4.42Å |
| 666 | P | 82.3 | Confident | 82.3 | Confident | 105 Ų | 105 | 83.4 Ų | 83.4 | 68% | 0.682 | 43% | 0.433 | S | S | * | . | trans | -78.3 | 31.1 | -167.8 | 33.9 | -39.2 | 0 | 0 | 0 | 114.4 | D648 F664 | D648-P666 CarbonylContact O-C 3.57Å; F664-P666 HydrophobicContact CD1-CB 4.24Å; F664-P666 HydrophobicContact CE1-CB 3.68Å; F664-P666 HydrophobicContact CZ-CB 4.3Å | ||
| 667 | N | 82.4 | Confident | 82.4 | Confident | 78 Ų | 78 | 85.6 Ų | 85.6 | 42% | 0.417 | 45% | 0.447 | S | S | . | . | trans | -140.1 | 93.5 | -178.4 | 179.3 | 1 | 0 | 0 | 0 | 110.2 | L665 K669 L670 | L665-N667 PolarHBondContact O-N 3.22Å; N667-K669 PolarHBondContact O-N 2.04Å; N667-K669 WeakPolarHBondContact OD1-CB 3.4Å; N667-K669 PolarHBondContact OD1-N 2.98Å; N667-L670 HydrophobicContact CB-CD1 4.02Å; N667-L670 HydrophobicContact CB-CG 4.03Å; N667-L670 WeakPolarHBondContact O-CB 3.05Å; N667-L670 WeakPolarHBondContact O-CD1 3.29Å; N667-L670 VanDerWaalsContact O-CG 3.27Å; N667-L670 WeakPolarHBondContact O-CG 3.39Å; N667-L670 PolarHBondContact O-N 2.84Å | ||
| 668 | G | 80.4 | Confident | 82.9 | Confident | 6 Ų | 6 | 83.2 Ų | 83.2 | 6% | 0.062 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -6.6 | 177 | 0 | 0 | 0 | 0 | 0 | 116 | P647 L670 | P647-G668 VanDerWaalsContact O-CA 3.32Å; P647-G668 WeakPolarHBondContact O-CA 3.45Å; G668-L670 VanDerWaalsContact C-N 3.33Å |
| 669 | K | 84.4 | Confident | 83.7 | Confident | 128 Ų | 128 | 77.1 Ų | 77.1 | 56% | 0.557 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -0.8 | 172.7 | -60.4 | 177.5 | -178 | 172.8 | 0 | 113 | R641 V646 N667 | R641-K669 WeakPolarHBondContact CD-O 3.32Å; V646-K669 HydrophobicContact CG1-CG 3.96Å; N667-K669 PolarHBondContact O-N 2.04Å; N667-K669 WeakPolarHBondContact OD1-CB 3.4Å; N667-K669 PolarHBondContact OD1-N 2.98Å |
| 670 | L | 85.1 | Confident | 84.6 | Confident | 48 Ų | 48 | 74.1 Ų | 74.1 | 25% | 0.251 | 38% | 0.375 | S | S | . | . | trans | -64.8 | 142.3 | 170.7 | -72.8 | 167.3 | 0 | 0 | 0 | 111.7 | W639 F650 L665 N667 G668 | W639-L670 HydrophobicContact CH2-CB 4.35Å; W639-L670 HydrophobicContact CZ2-CB 3.77Å; W639-L670 PolarHBondContact NE1-O 2.96Å; F650-L670 HydrophobicContact CD2-CB 4.4Å; F650-L670 HydrophobicContact CE2-CB 4.19Å; L665-L670 HydrophobicContact CB-CD1 3.95Å; L665-L670 HydrophobicContact CD1-CD1 4.4Å; N667-L670 HydrophobicContact CB-CD1 4.02Å; N667-L670 HydrophobicContact CB-CG 4.03Å; N667-L670 WeakPolarHBondContact O-CB 3.05Å; N667-L670 WeakPolarHBondContact O-CD1 3.29Å; N667-L670 VanDerWaalsContact O-CG 3.27Å; N667-L670 WeakPolarHBondContact O-CG 3.39Å; N667-L670 PolarHBondContact O-N 2.84Å; G668-L670 VanDerWaalsContact C-N 3.33Å | ||
| 671 | G | 87 | Confident | 85 | Confident | 26 Ų | 26 | 72.5 Ų | 72.5 | 27% | 0.268 | 37% | 0.374 | S | S | . | . | trans | -130.1 | 8.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T638 W639 | T638-G671 CarbonylContact C-O 3.58Å; T638-G671 WeakPolarHBondContact CA-O 3.49Å; W639-G671 PolarHBondContact N-O 3.45Å; W639-G671 WeakPolarHBondContact O-CA 3.45Å | ||
| 672 | S | 90.8 | Very high | 85.6 | Confident | 55 Ų | 55 | 68.3 Ų | 68.3 | 39% | 0.385 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 153.1 | 178.7 | 64.2 | 0 | 0 | 0 | 0 | 111.5 | I637 | I637-S672 CarbonylContact O-C 3.57Å; I637-S672 VanDerWaalsContact O-CA 3.22Å; I637-S672 WeakPolarHBondContact O-CA 3.35Å; I637-S672 WeakPolarHBondContact O-CB 3.41Å |
| 673 | Y | 90.8 | Very high | 86.2 | Confident | 51 Ų | 51 | 67.4 Ų | 67.4 | 20% | 0.2 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 137.4 | 175.5 | -171.7 | -115.1 | 0 | 0 | 0 | 112.6 | I637 I652 R663 L665 L675 | I637-Y673 VanDerWaalsContact CG1-O 3.25Å; I637-Y673 WeakPolarHBondContact CG1-O 3.03Å; I637-Y673 PolarHBondContact N-O 2.86Å; I637-Y673 PolarHBondContact O-N 3.46Å; I652-Y673 HydrophobicContact CD1-CD1 4.35Å; I652-Y673 HydrophobicContact CG2-CD1 4.44Å; I652-Y673 HydrophobicContact CG2-CE1 4.42Å; R663-Y673 VanDerWaalsContact CD-OH 3.25Å; R663-Y673 WeakPolarHBondContact CD-OH 3.43Å; R663-Y673 PolarHBondContact NH1-OH 2.86Å; R663-Y673 VanDerWaalsContact NH1-OH 3.16Å; L665-Y673 HydrophobicContact CD1-CD1 4.24Å; L665-Y673 HydrophobicContact CD1-CD2 4.08Å; L665-Y673 HydrophobicContact CD1-CG 3.92Å; L665-Y673 HydrophobicContact CD2-CD2 3.95Å; L665-Y673 HydrophobicContact CD2-CE1 4.31Å; L665-Y673 HydrophobicContact CD2-CE2 3.66Å; L665-Y673 HydrophobicContact CD2-CG 4.42Å; Y673-L675 HydrophobicContact CD1-CD2 3.97Å; Y673-L675 HydrophobicContact CE1-CD2 3.97Å |
| 674 | T | 91.1 | Very high | 86.6 | Confident | 46 Ų | 46 | 61.6 Ų | 61.6 | 28% | 0.282 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 109.5 | 175.2 | -39.9 | 0 | 0 | 0 | 0 | 110.6 | A635 R676 | A635-T674 CarbonylContact O-C 3.59Å; A635-T674 WeakPolarHBondContact O-CA 3.41Å; T674-R676 HydrophobicContact CG2-CG 4.06Å |
| 675 | L | 88.5 | Confident | 86.9 | Confident | 11 Ų | 11 | 64.3 Ų | 64.3 | 6% | 0.058 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 129.4 | 162.1 | -62.2 | -177.8 | 0 | 0 | 0 | 108.9 | S634 A635 I652 V654 Y673 L678 V686 F708 | S634-L675 CarbonylContact C-O 3.59Å; S634-L675 WeakPolarHBondContact CA-O 3.31Å; S634-L675 WeakPolarHBondContact CB-O 3.26Å; A635-L675 PolarHBondContact N-O 2.83Å; A635-L675 PolarHBondContact O-N 3.32Å; I652-L675 HydrophobicContact CD1-CD2 3.73Å; I652-L675 HydrophobicContact CD1-CG 4.41Å; I652-L675 HydrophobicContact CG1-CD2 4.44Å; V654-L675 HydrophobicContact CG1-CD1 4.46Å; V654-L675 HydrophobicContact CG2-CD1 3.9Å; V654-L675 HydrophobicContact CG2-CD2 3.6Å; V654-L675 HydrophobicContact CG2-CG 4.4Å; Y673-L675 HydrophobicContact CD1-CD2 3.97Å; Y673-L675 HydrophobicContact CE1-CD2 3.97Å; L675-L678 HydrophobicContact CB-CD1 4.15Å; L675-L678 HydrophobicContact CB-CD2 4.36Å; L675-V686 HydrophobicContact CD1-CG2 3.73Å; L675-F708 HydrophobicContact CD1-CE1 4.13Å; L675-F708 HydrophobicContact CD1-CZ 4.01Å |
| 676 | R | 86.5 | Confident | 87 | Confident | 182 Ų | 182 | 63.8 Ų | 63.8 | 69% | 0.687 | 33% | 0.332 | S | S | * | . | trans | -125.6 | 172.2 | -179.9 | -61.1 | -177.9 | -177.4 | -174.3 | -0.1 | 109.6 | T674 L678 | T674-R676 HydrophobicContact CG2-CG 4.06Å; R676-L678 PolarHBondContact O-N 2.05Å | ||
| 677 | E | 84.3 | Confident | 87.3 | Confident | 138 Ų | 138 | 59.4 Ų | 59.4 | 65% | 0.645 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 60.4 | 30.7 | -178.7 | -55.5 | 159.7 | -142.1 | 0 | 0 | 113.4 | N633 R661 | N633-E677 PolarHBondContact O-N 3.31Å; R661-E677 IonicContact NH1-OE2 3.49Å; R661-E677 PolarHBondContact NH1-OE2 2.89Å |
| 678 | L | 85.8 | Confident | 87.6 | Confident | 15 Ų | 15 | 55.7 Ų | 55.7 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 151.5 | 173.5 | -50.5 | -177.2 | 0 | 0 | 0 | 110.1 | N633 A635 L675 R676 Y684 F708 T710 | N633-L678 WeakPolarHBondContact CA-O 3.25Å; N633-L678 PolarHBondContact O-N 2.87Å; A635-L678 HydrophobicContact CB-CD1 3.93Å; L675-L678 HydrophobicContact CB-CD1 4.15Å; L675-L678 HydrophobicContact CB-CD2 4.36Å; R676-L678 PolarHBondContact O-N 2.05Å; L678-Y684 WeakPolarHBondContact CA-OH 3.1Å; L678-Y684 HydrophobicContact CB-CE2 3.94Å; L678-Y684 HydrophobicContact CD2-CD1 4.31Å; L678-Y684 HydrophobicContact CD2-CE1 3.84Å; L678-Y684 HydrophobicContact CD2-CE2 4.23Å; L678-Y684 HydrophobicContact CG-CE2 4.47Å; L678-F708 HydrophobicContact CD1-CE2 3.88Å; L678-F708 HydrophobicContact CD1-CZ 3.93Å; L678-T710 HydrophobicContact CB-CG2 3.72Å; L678-T710 HydrophobicContact CD1-CG2 3.79Å; L678-T710 HydrophobicContact CG-CG2 4.43Å |
| 679 | T | 87.4 | Confident | 88.1 | Confident | 45 Ų | 45 | 56.5 Ų | 56.5 | 28% | 0.276 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -89.8 | 134.1 | 174 | 44.7 | 0 | 0 | 0 | 0 | 110.6 | P632 R656 H682 Y684 T710 | P632-T679 CarbonylContact O-C 3.58Å; R656-T679 VanDerWaalsContact NH1-CG2 3.31Å; R656-T679 PolarHBondContact NH1-OG1 3.14Å; T679-H682 PolarHBondContact OG1-CD2 2.03Å; T679-H682 PolarHBondContact OG1-ND1 2.89Å; T679-Y684 PolarHBondContact N-OH 2.94Å; T679-Y684 PolarHBondContact OG1-OH 3.01Å; T679-Y684 VanDerWaalsContact OG1-OH 3.13Å; T679-T710 PolarHBondContact O-OG1 2.04Å |
| 680 | P | 88.8 | Confident | 88.4 | Confident | 48 Ų | 48 | 50.5 Ų | 50.5 | 31% | 0.312 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 144.7 | 177.8 | -27.8 | 34.5 | 0 | 0 | 0 | 114 | P632 H682 L711 T713 | P632-P680 HydrophobicContact CB-CB 4.02Å; P632-P680 HydrophobicContact CB-CG 3.85Å; P632-P680 WeakPolarHBondContact O-CA 3.33Å; P632-P680 WeakPolarHBondContact O-CD 3.01Å; P632-P680 WeakPolarHBondContact O-CG 3.32Å; P632-P680 VanDerWaalsContact O-N 3.14Å; P680-H682 PolarHBondContact O-N 2.81Å; P680-H682 PolarHBondContact O-ND1 3.29Å; P680-L711 WeakPolarHBondContact CA-O 3.4Å; P680-L711 WeakPolarHBondContact CB-O 3.05Å; P680-T713 WeakPolarHBondContact CB-OG1 3.39Å; P680-T713 VanDerWaalsContact CG-OG1 3.26Å; P680-T713 WeakPolarHBondContact CG-OG1 3.02Å |
| 681 | G | 86.2 | Confident | 88.5 | Confident | 46 Ų | 46 | 48.2 Ų | 48.2 | 47% | 0.474 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 16.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | T710 L711 | G681-T710 VanDerWaalsContact CA-O 3.31Å; G681-T710 WeakPolarHBondContact CA-O 3.3Å; G681-T710 PolarHBondContact N-O 2.83Å; G681-T710 PolarHBondContact N-OG1 3.36Å; G681-L711 PolarHBondContact N-O 3.32Å |
| 682 | H | 88.8 | Confident | 88.4 | Confident | 82 Ų | 82 | 49.3 Ų | 49.3 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | trans | -107.3 | 143 | -177.6 | -74.4 | 63.3 | 0 | 0 | 0 | 112.2 | T679 P680 Y684 T709 T710 | T679-H682 PolarHBondContact OG1-CD2 2.03Å; T679-H682 PolarHBondContact OG1-ND1 2.89Å; P680-H682 PolarHBondContact O-N 2.81Å; P680-H682 PolarHBondContact O-ND1 3.29Å; H682-Y684 HydrophobicContact CB-CD2 4.48Å; H682-Y684 HydrophobicContact CB-CE2 3.89Å; H682-Y684 WeakPolarHBondContact O-CD2 3.07Å; H682-T709 WeakPolarHBondContact O-CA 3.39Å; H682-T710 PolarHBondContact N-OG1 3.06Å; H682-T710 PolarHBondContact O-N 3.47Å; H682-T710 PolarHBondContact O-OG1 3.45Å | ||
| 683 | H | 91.1 | Very high | 88 | Confident | 74 Ų | 74 | 50.7 Ų | 50.7 | 34% | 0.343 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 137.7 | 172.9 | -170.7 | -84 | 0 | 0 | 0 | 111.8 | Y685 F708 T709 | H683-Y685 AromaticContact CE1-CD1 3.99Å; H683-Y685 AromaticContact CE1-CD2 3.87Å; H683-Y685 AromaticContact CE1-CE1 3.65Å; H683-Y685 AromaticContact CE1-CE2 3.52Å; H683-Y685 AromaticContact CE1-CZ 3.41Å; H683-Y685 VanDerWaalsContact CE1-CZ 3.41Å; H683-Y685 AromaticContact ND1-CD2 3.82Å; H683-Y685 AromaticContact ND1-CE2 3.51Å; H683-Y685 AromaticContact ND1-CZ 3.86Å; H683-F708 CarbonylContact C-O 3.59Å; H683-F708 WeakPolarHBondContact CA-O 3.42Å; H683-T709 PolarHBondContact CD2-OG1 3.34Å |
| 684 | Y | 87.8 | Confident | 87.2 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 6% | 0.055 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.4 | 179.2 | -74.3 | -88.1 | 0 | 0 | 0 | 110.8 | V654 T655 R656 L678 T679 H682 S707 F708 T710 | V654-Y684 HydrophobicContact CG1-CD1 3.67Å; V654-Y684 HydrophobicContact CG1-CE1 4.23Å; T655-Y684 WeakPolarHBondContact O-CA 3.45Å; R656-Y684 HydrophobicContact CB-CD1 3.87Å; R656-Y684 HydrophobicContact CB-CE1 3.68Å; R656-Y684 HydrophobicContact CG-CD1 4.19Å; R656-Y684 HydrophobicContact CG-CE1 3.86Å; L678-Y684 WeakPolarHBondContact CA-OH 3.1Å; L678-Y684 HydrophobicContact CB-CE2 3.94Å; L678-Y684 HydrophobicContact CD2-CD1 4.31Å; L678-Y684 HydrophobicContact CD2-CE1 3.84Å; L678-Y684 HydrophobicContact CD2-CE2 4.23Å; L678-Y684 HydrophobicContact CG-CE2 4.47Å; T679-Y684 PolarHBondContact N-OH 2.94Å; T679-Y684 PolarHBondContact OG1-OH 3.01Å; T679-Y684 VanDerWaalsContact OG1-OH 3.13Å; H682-Y684 HydrophobicContact CB-CD2 4.48Å; H682-Y684 HydrophobicContact CB-CE2 3.89Å; H682-Y684 WeakPolarHBondContact O-CD2 3.07Å; Y684-S707 WeakPolarHBondContact O-CA 3.04Å; Y684-F708 HydrophobicContact CD2-CE2 4.34Å; Y684-F708 PolarHBondContact N-O 2.82Å; Y684-F708 PolarHBondContact O-N 3.4Å; Y684-T710 HydrophobicContact CD2-CG2 4.2Å; Y684-T710 HydrophobicContact CE2-CG2 4Å |
| 685 | Y | 90.3 | Very high | 86.1 | Confident | 140 Ų | 140 | 51.4 Ų | 51.4 | 55% | 0.549 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 137.5 | 165.4 | -66.7 | -84.7 | 0 | 0 | 0 | 109.1 | T655 H683 | T655-Y685 PolarHBondContact N-O 2.67Å; T655-Y685 PolarHBondContact O-N 3.48Å; H683-Y685 AromaticContact CE1-CD1 3.99Å; H683-Y685 AromaticContact CE1-CD2 3.87Å; H683-Y685 AromaticContact CE1-CE1 3.65Å; H683-Y685 AromaticContact CE1-CE2 3.52Å; H683-Y685 AromaticContact CE1-CZ 3.41Å; H683-Y685 VanDerWaalsContact CE1-CZ 3.41Å; H683-Y685 AromaticContact ND1-CD2 3.82Å; H683-Y685 AromaticContact ND1-CE2 3.51Å; H683-Y685 AromaticContact ND1-CZ 3.86Å |
| 686 | V | 88.4 | Confident | 85 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.8 | 179.2 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | I652 N653 V654 L675 H705 L706 F708 | I652-V686 HydrophobicContact CD1-CG1 3.65Å; I652-V686 HydrophobicContact CG1-CG1 3.72Å; N653-V686 CarbonylContact O-C 3.5Å; N653-V686 VanDerWaalsContact O-CA 3.32Å; N653-V686 WeakPolarHBondContact O-CA 2.96Å; V654-V686 HydrophobicContact CG1-CG2 4.49Å; V654-V686 HydrophobicContact CG2-CG2 4.37Å; L675-V686 HydrophobicContact CD1-CG2 3.73Å; V686-H705 CarbonylContact O-C 3.58Å; V686-H705 VanDerWaalsContact O-CA 3.31Å; V686-H705 WeakPolarHBondContact O-CA 3.43Å; V686-L706 HydrophobicContact CB-CB 4.45Å; V686-L706 PolarHBondContact N-O 3.09Å; V686-L706 PolarHBondContact O-N 3.33Å; V686-F708 HydrophobicContact CG2-CE1 3.74Å |
| 687 | A | 88.5 | Confident | 84.4 | Confident | 13 Ų | 13 | 58 Ų | 58 | 11% | 0.107 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 122.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | I652 N653 P703 Q704 | I652-A687 WeakPolarHBondContact CA-O 3Å; N653-A687 HydrophobicContact CB-CB 4.38Å; N653-A687 PolarHBondContact N-O 3Å; N653-A687 PolarHBondContact O-N 3.14Å; A687-P703 HydrophobicContact CB-CB 4.18Å; A687-Q704 CarbonylContact C-O 3.58Å; A687-Q704 WeakPolarHBondContact CA-O 3.06Å |
| 688 | L | 88.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 127.5 | 177.1 | -173 | 71.6 | 0 | 0 | 0 | 110 | P622 L625 W639 F650 I652 Q704 | P622-L688 HydrophobicContact CB-CD2 3.92Å; P622-L688 HydrophobicContact CG-CD2 3.77Å; P622-L688 HydrophobicContact CG-CG 3.89Å; L625-L688 HydrophobicContact CD1-CD2 3.93Å; L625-L688 HydrophobicContact CD2-CB 4.04Å; W639-L688 HydrophobicContact CB-CD2 4.43Å; W639-L688 HydrophobicContact CD2-CD2 3.58Å; W639-L688 HydrophobicContact CE3-CD2 3.6Å; W639-L688 HydrophobicContact CG-CD2 3.97Å; W639-L688 HydrophobicContact CH2-CD2 4.48Å; W639-L688 HydrophobicContact CZ2-CD2 4.48Å; W639-L688 HydrophobicContact CZ3-CD2 4.07Å; F650-L688 HydrophobicContact CB-CD1 4.1Å; I652-L688 HydrophobicContact CB-CD1 3.91Å; I652-L688 HydrophobicContact CD1-CD1 4.35Å; I652-L688 HydrophobicContact CG1-CD1 4.38Å; L688-Q704 PolarHBondContact N-O 3.03Å; L688-Q704 PolarHBondContact O-N 3.14Å |
| 689 | M | 90.3 | Very high | 84.3 | Confident | 24 Ų | 24 | 56.4 Ų | 56.4 | 12% | 0.118 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 143.1 | 176.9 | -67.2 | 166.1 | -70.3 | 0 | 0 | 109.5 | F650 V651 H700 S701 P703 | F650-M689 CarbonylContact C-O 3.46Å; F650-M689 WeakPolarHBondContact CA-O 3.22Å; F650-M689 WeakPolarHBondContact CB-O 3.46Å; V651-M689 HydrophobicContact CB-CE 4.18Å; V651-M689 HydrophobicContact CG1-CE 3.77Å; V651-M689 PolarHBondContact N-O 2.98Å; V651-M689 PolarHBondContact O-N 3.11Å; M689-H700 HydrophobicContact CB-CB 4.39Å; M689-H700 HydrophobicContact SD-CB 4.1Å; M689-S701 WeakPolarHBondContact CA-OG 3.35Å; M689-P703 HydrophobicContact CG-CB 3.72Å; M689-P703 HydrophobicContact SD-CB 4.11Å |
| 690 | S | 90.1 | Very high | 84.3 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 155.7 | 163.9 | 65.7 | 0 | 0 | 0 | 0 | 110 | P619 Y620 H700 S701 | P619-S690 WeakPolarHBondContact CB-OG 3.48Å; Y620-S690 PolarHBondContact O-OG 3.21Å; S690-H700 WeakPolarHBondContact O-CA 3.45Å; S690-S701 PolarHBondContact N-OG 3.29Å; S690-S701 PolarHBondContact O-N 2.04Å; S690-S701 VanDerWaalsContact OG-CB 3.31Å; S690-S701 WeakPolarHBondContact OG-CB 3.41Å; S690-S701 PolarHBondContact OG-OG 3.23Å |
| 691 | V | 87.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 134.3 | -174.4 | -172.7 | 0 | 0 | 0 | 0 | 110.8 | P647 D648 G649 V651 F664 Q698 I699 | P647-V691 WeakPolarHBondContact CB-O 3.4Å; D648-V691 PolarHBondContact N-O 2.87Å; G649-V691 PolarHBondContact N-O 3.17Å; G649-V691 PolarHBondContact O-N 2.92Å; V651-V691 HydrophobicContact CB-CG2 4.34Å; V651-V691 HydrophobicContact CG2-CG2 3.82Å; F664-V691 HydrophobicContact CD2-CG2 4.26Å; F664-V691 HydrophobicContact CE2-CB 4.07Å; F664-V691 HydrophobicContact CE2-CG1 4.24Å; F664-V691 HydrophobicContact CE2-CG2 3.95Å; V691-Q698 HydrophobicContact CG1-CB 3.9Å; V691-Q698 HydrophobicContact CG1-CG 4.12Å; V691-I699 WeakPolarHBondContact CA-O 3.45Å |
| 692 | K | 85.2 | Confident | 84.4 | Confident | 49 Ų | 49 | 58.3 Ų | 58.3 | 21% | 0.213 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 132.7 | 158.5 | -171 | 72.4 | -167 | 124.1 | 0 | 108.7 | A585 P619 D648 I699 | A585-K692 HydrophobicContact CB-CB 4.19Å; A585-K692 HydrophobicContact CB-CD 4.04Å; A585-K692 HydrophobicContact CB-CG 4.09Å; P619-K692 HydrophobicContact CG-CB 4.5Å; D648-K692 IonicContact OD1-NZ 2.74Å; D648-K692 PolarHBondContact OD1-NZ 3.06Å; D648-K692 WeakPolarHBondContact OD2-CD 3.1Å; D648-K692 WeakPolarHBondContact OD2-CE 3.14Å; D648-K692 IonicContact OD2-NZ 2.92Å; D648-K692 PolarHBondContact OD2-NZ 3.39Å; K692-I699 PolarHBondContact N-O 3.38Å; K692-I699 PolarHBondContact O-N 3.06Å |
| 693 | N | 82.7 | Confident | 84.3 | Confident | 84 Ų | 84 | 56.6 Ų | 56.6 | 45% | 0.449 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125.4 | 175.6 | -177.4 | 2.7 | 0 | 0 | 0 | 108.7 | D648 G695 | D648-N693 PolarHBondContact OD2-N 3.26Å; N693-G695 PolarHBondContact OD1-N 3.5Å |
| 694 | T | 74.8 | Confident | 84.4 | Confident | 41 Ų | 41 | 56.2 Ų | 56.2 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | trans | -105 | 6.6 | -177.6 | 62.7 | 0 | 0 | 0 | 0 | 113 | W616 Q696 E697 I699 | W616-T694 HydrophobicContact CD2-CG2 3.64Å; W616-T694 VanDerWaalsContact CE2-CG2 3.48Å; W616-T694 HydrophobicContact CE3-CG2 4.26Å; W616-T694 HydrophobicContact CG-CG2 3.86Å; W616-T694 HydrophobicContact CZ2-CG2 3.98Å; T694-Q696 PolarHBondContact O-N 3.43Å; T694-E697 PolarHBondContact N-O 2.84Å; T694-E697 VanDerWaalsContact N-O 3.07Å; T694-E697 PolarHBondContact OG1-N 2.72Å; T694-E697 PolarHBondContact OG1-O 3.26Å; T694-E697 VanDerWaalsContact OG1-O 3.13Å; T694-I699 HydrophobicContact CG2-CD1 3.56Å; T694-I699 HydrophobicContact CG2-CG1 4.06Å | ||
| 695 | G | 68.1 | Low | 84.5 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 72% | 0.722 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 83 | -22.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N693 | N693-G695 PolarHBondContact OD1-N 3.5Š|
| 696 | Q | 63.8 | Low | 84.6 | Confident | 190 Ų | 190 | 56.6 Ų | 56.6 | 89% | 0.888 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -106.6 | -41 | 169.8 | -67.7 | -177 | -8.9 | 0 | 0 | 112.1 | T694 | T694-Q696 PolarHBondContact O-N 3.43Š|
| 697 | E | 74.8 | Confident | 84.8 | Confident | 143 Ų | 143 | 59.8 Ų | 59.8 | 67% | 0.668 | 32% | 0.321 | S | S | * | . | trans | -137.6 | 169.3 | -178.6 | -64.9 | -164.7 | 152.6 | 0 | 0 | 113.1 | T694 | T694-E697 PolarHBondContact N-O 2.84Å; T694-E697 VanDerWaalsContact N-O 3.07Å; T694-E697 PolarHBondContact OG1-N 2.72Å; T694-E697 PolarHBondContact OG1-O 3.26Å; T694-E697 VanDerWaalsContact OG1-O 3.13Å | ||
| 698 | Q | 82.6 | Confident | 85 | Confident | 85 Ų | 85 | 59.7 Ų | 59.7 | 40% | 0.397 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 122.5 | 170.7 | -69.5 | -167.9 | 11.8 | 0 | 0 | 110.4 | V691 | V691-Q698 HydrophobicContact CG1-CB 3.9Å; V691-Q698 HydrophobicContact CG1-CG 4.12Å |
| 699 | I | 84.7 | Confident | 85.1 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 17% | 0.174 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 117.8 | -177 | -57.9 | -172.8 | 0 | 0 | 0 | 109 | W616 V691 K692 T694 | W616-I699 HydrophobicContact CB-CD1 3.48Å; W616-I699 VanDerWaalsContact CB-CD1 3.48Å; W616-I699 HydrophobicContact CG-CD1 3.79Å; V691-I699 WeakPolarHBondContact CA-O 3.45Å; K692-I699 PolarHBondContact N-O 3.38Å; K692-I699 PolarHBondContact O-N 3.06Å; T694-I699 HydrophobicContact CG2-CD1 3.56Å; T694-I699 HydrophobicContact CG2-CG1 4.06Å |
| 700 | H | 87.2 | Confident | 85.1 | Confident | 68 Ų | 68 | 62.2 Ų | 62.2 | 32% | 0.315 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 147 | -173.1 | -58.6 | -61 | 0 | 0 | 0 | 112.4 | M689 S690 | M689-H700 HydrophobicContact CB-CB 4.39Å; M689-H700 HydrophobicContact SD-CB 4.1Å; S690-H700 WeakPolarHBondContact O-CA 3.45Å |
| 701 | S | 90.2 | Very high | 85 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 3% | 0.028 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 171.2 | 164.8 | 71.6 | 0 | 0 | 0 | 0 | 111.6 | P619 M689 S690 | P619-S701 WeakPolarHBondContact O-CB 3.37Å; M689-S701 WeakPolarHBondContact CA-OG 3.35Å; S690-S701 PolarHBondContact N-OG 3.29Å; S690-S701 PolarHBondContact O-N 2.04Å; S690-S701 VanDerWaalsContact OG-CB 3.31Å; S690-S701 WeakPolarHBondContact OG-CB 3.41Å; S690-S701 PolarHBondContact OG-OG 3.23Å |
| 702 | I | 86.6 | Confident | 84.7 | Confident | 106 Ų | 106 | 70.8 Ų | 70.8 | 54% | 0.544 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 134.7 | 159.3 | -62.2 | 170.6 | 0 | 0 | 0 | 108.1 | ||
| 703 | P | 88.4 | Confident | 84.1 | Confident | 47 Ų | 47 | 73 Ų | 73 | 31% | 0.305 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 139.4 | 179.7 | 27.6 | -34.7 | 0 | 0 | 0 | 112 | A687 M689 H705 | A687-P703 HydrophobicContact CB-CB 4.18Å; M689-P703 HydrophobicContact CG-CB 3.72Å; M689-P703 HydrophobicContact SD-CB 4.11Å; P703-H705 PolarHBondContact O-CD2 3.24Å |
| 704 | Q | 91.7 | Very high | 83 | Confident | 66 Ų | 66 | 75.7 Ų | 75.7 | 31% | 0.308 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129 | 172.9 | -67.3 | -78.3 | 46.5 | 0 | 0 | 109.8 | P621 P622 L625 A687 L688 | P621-Q704 HydrophobicContact CB-CG 3.93Å; P622-Q704 HydrophobicContact CB-CG 4.49Å; P622-Q704 WeakPolarHBondContact O-CG 3.48Å; P622-Q704 PolarHBondContact O-NE2 3.19Å; L625-Q704 HydrophobicContact CD2-CB 4Å; L625-Q704 VanDerWaalsContact CD2-O 3.31Å; L625-Q704 WeakPolarHBondContact CD2-O 3.5Å; A687-Q704 CarbonylContact C-O 3.58Å; A687-Q704 WeakPolarHBondContact CA-O 3.06Å; L688-Q704 PolarHBondContact N-O 3.03Å; L688-Q704 PolarHBondContact O-N 3.14Å |
| 705 | H | 90.3 | Very high | 81.9 | Confident | 130 Ų | 130 | 80.4 Ų | 80.4 | 60% | 0.602 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 142 | -167.9 | -67.8 | -86.3 | 0 | 0 | 0 | 112.9 | V686 P703 | V686-H705 CarbonylContact O-C 3.58Å; V686-H705 VanDerWaalsContact O-CA 3.31Å; V686-H705 WeakPolarHBondContact O-CA 3.43Å; P703-H705 PolarHBondContact O-CD2 3.24Å |
| 706 | L | 92.9 | Very high | 80.7 | Confident | 31 Ų | 31 | 86.3 Ų | 86.3 | 16% | 0.162 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 136.7 | 175.7 | 178.1 | 66.9 | 0 | 0 | 0 | 109.4 | L625 L627 I637 V686 | L625-L706 HydrophobicContact CD1-CD2 4.4Å; L625-L706 HydrophobicContact CD2-CB 3.83Å; L625-L706 HydrophobicContact CG-CB 4.05Å; L625-L706 HydrophobicContact CG-CD2 4.23Å; L627-L706 HydrophobicContact CB-CD2 4.24Å; L627-L706 HydrophobicContact CD1-CD2 4.31Å; I637-L706 HydrophobicContact CB-CD2 4.41Å; I637-L706 HydrophobicContact CG2-CD2 3.65Å; V686-L706 HydrophobicContact CB-CB 4.45Å; V686-L706 PolarHBondContact N-O 3.09Å; V686-L706 PolarHBondContact O-N 3.33Å |
| 707 | S | 91.6 | Very high | 79.9 | Confident | 68 Ų | 68 | 83.7 Ų | 83.7 | 48% | 0.476 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 136.3 | -179.6 | 52 | 0 | 0 | 0 | 0 | 111.1 | Y684 | Y684-S707 WeakPolarHBondContact O-CA 3.04Å |
| 708 | F | 92.9 | Very high | 78.2 | Confident | 11 Ų | 11 | 80.6 Ų | 80.6 | 5% | 0.048 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 162.8 | 178.5 | 67.6 | -92.8 | 0 | 0 | 0 | 113.1 | L627 A635 L675 L678 H683 Y684 V686 T710 | L627-F708 HydrophobicContact CD1-CB 4.35Å; L627-F708 HydrophobicContact CD1-CD1 3.75Å; L627-F708 HydrophobicContact CD1-CD2 4.47Å; L627-F708 HydrophobicContact CD1-CE1 4.13Å; L627-F708 HydrophobicContact CD1-CG 3.94Å; L627-F708 HydrophobicContact CD2-CB 3.47Å; L627-F708 VanDerWaalsContact CD2-CB 3.47Å; L627-F708 HydrophobicContact CD2-CD1 4.43Å; L627-F708 HydrophobicContact CD2-CG 3.96Å; A635-F708 HydrophobicContact CB-CD2 4.33Å; A635-F708 HydrophobicContact CB-CE1 4.28Å; A635-F708 HydrophobicContact CB-CE2 3.54Å; A635-F708 HydrophobicContact CB-CZ 3.51Å; L675-F708 HydrophobicContact CD1-CE1 4.13Å; L675-F708 HydrophobicContact CD1-CZ 4.01Å; L678-F708 HydrophobicContact CD1-CE2 3.88Å; L678-F708 HydrophobicContact CD1-CZ 3.93Å; H683-F708 CarbonylContact C-O 3.59Å; H683-F708 WeakPolarHBondContact CA-O 3.42Å; Y684-F708 HydrophobicContact CD2-CE2 4.34Å; Y684-F708 PolarHBondContact N-O 2.82Å; Y684-F708 PolarHBondContact O-N 3.4Å; V686-F708 HydrophobicContact CG2-CE1 3.74Å; F708-T710 HydrophobicContact CE2-CG2 4.23Å |
| 709 | T | 91 | Very high | 76.1 | Confident | 75 Ų | 75 | 87.5 Ų | 87.5 | 46% | 0.46 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 135.1 | 173 | -55.4 | 0 | 0 | 0 | 0 | 110 | H682 H683 | H682-T709 WeakPolarHBondContact O-CA 3.39Å; H683-T709 PolarHBondContact CD2-OG1 3.34Å |
| 710 | T | 90.1 | Very high | 73.8 | Confident | 3 Ų | 3 | 95.2 Ų | 95.2 | 2% | 0.018 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 151.2 | 173.7 | 46.3 | 0 | 0 | 0 | 0 | 112 | L678 T679 G681 H682 Y684 F708 | L678-T710 HydrophobicContact CB-CG2 3.72Å; L678-T710 HydrophobicContact CD1-CG2 3.79Å; L678-T710 HydrophobicContact CG-CG2 4.43Å; T679-T710 PolarHBondContact O-OG1 2.04Å; G681-T710 VanDerWaalsContact CA-O 3.31Å; G681-T710 WeakPolarHBondContact CA-O 3.3Å; G681-T710 PolarHBondContact N-O 2.83Å; G681-T710 PolarHBondContact N-OG1 3.36Å; H682-T710 PolarHBondContact N-OG1 3.06Å; H682-T710 PolarHBondContact O-N 3.47Å; H682-T710 PolarHBondContact O-OG1 3.45Å; Y684-T710 HydrophobicContact CD2-CG2 4.2Å; Y684-T710 HydrophobicContact CE2-CG2 4Å; F708-T710 HydrophobicContact CE2-CG2 4.23Å |
| 711 | L | 88.4 | Confident | 71 | Confident | 90 Ų | 90 | 100 Ų | 100 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 150.9 | 177.2 | -64.2 | -178.8 | 0 | 0 | 0 | 111.5 | V630 T631 P632 P680 G681 | V630-L711 HydrophobicContact CG1-CG 4.35Å; V630-L711 WeakPolarHBondContact O-CD1 3.1Å; T631-L711 PolarHBondContact O-N 2.04Å; P632-L711 VanDerWaalsContact CA-O 3.26Å; P632-L711 WeakPolarHBondContact CA-O 3.24Å; P632-L711 WeakPolarHBondContact CB-O 3Å; P632-L711 HydrophobicContact CG-CB 4.11Å; P680-L711 WeakPolarHBondContact CA-O 3.4Å; P680-L711 WeakPolarHBondContact CB-O 3.05Å; G681-L711 PolarHBondContact N-O 3.32Å |
| 712 | P | 80.8 | Confident | 68.3 | Low | 91 Ų | 91 | 111 Ų | 111 | 59% | 0.591 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 150 | 167.5 | 30.2 | -34.5 | 0 | 0 | 0 | 110.7 | Q714 | P712-Q714 PolarHBondContact O-N 3.41Š|
| 713 | T | 73.4 | Confident | 66.2 | Low | 97 Ų | 97 | 111.2 Ų | 111.2 | 60% | 0.595 | 57% | 0.569 | S | S | * | * | trans | -68.2 | 110.5 | 178.1 | -43.2 | 0 | 0 | 0 | 0 | 110.4 | P680 V715 | P680-T713 WeakPolarHBondContact CB-OG1 3.39Å; P680-T713 VanDerWaalsContact CG-OG1 3.26Å; P680-T713 WeakPolarHBondContact CG-OG1 3.02Å; T713-V715 PolarHBondContact O-N 2.84Å; T713-V715 VanDerWaalsContact O-N 3.14Å | ||
| 714 | Q | 59.7 | Low | 63.3 | Low | 139 Ų | 139 | 115 Ų | 115 | 65% | 0.65 | 59% | 0.591 | S | S | * | * | trans | -73.3 | 106.8 | 173.3 | -72.9 | -159.3 | 26.9 | 0 | 0 | 110.9 | P712 | P712-Q714 PolarHBondContact O-N 3.41Š| ||
| 715 | V | 49.9 | Very low | 60.4 | Low | 140 Ų | 140 | 118.2 Ų | 118.2 | 85% | 0.848 | 62% | 0.615 | S | S | * | * | trans | -69.8 | 127.4 | 155.4 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | T713 | T713-V715 PolarHBondContact O-N 2.84Å; T713-V715 VanDerWaalsContact O-N 3.14Å | ||
| 716 | R | 43.4 | Very low | 57.5 | Low | 195 Ų | 195 | 118.6 Ų | 118.6 | 74% | 0.736 | 63% | 0.627 | S | S | * | * | trans | -131.3 | 143.9 | 168.1 | -76.4 | -169.2 | 176.2 | -141.6 | -5.5 | 110.8 | ||||
| 717 | P | 46.4 | Very low | 54.5 | Low | 135 Ų | 135 | 120.7 Ų | 120.7 | 88% | 0.877 | 66% | 0.656 | S | S | * | * | trans | -75.1 | 144.9 | -176.5 | -10.3 | 27.8 | 0 | 0 | 0 | 111.2 | ||||
| 718 | G | 40.3 | Very low | 51.4 | Low | 78 Ų | 78 | 125.8 Ų | 125.8 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | trans | -96.5 | 153.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 719 | R | 37.8 | Very low | 48.4 | Very low | 229 Ų | 229 | 128.3 Ų | 128.3 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | trans | -149 | 170.4 | 150 | -135 | 177.3 | -177 | -173.7 | 0.4 | 110.7 | ||||
| 720 | R | 36 | Very low | 45.4 | Very low | 197 Ų | 197 | 131.9 Ų | 131.9 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | trans | -48.7 | 163.7 | -178.1 | -56.6 | 173.4 | -174.9 | 170.5 | -6.7 | 113.1 | ||||
| 721 | E | 29.3 | Very low | 42.6 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | cis | -154.2 | 175.9 | 36.4 | -133.1 | 118.4 | -118.8 | 0 | 0 | 114.2 | ||||
| 722 | R | 34.1 | Very low | 39.7 | Very low | 236 Ų | 236 | 142.2 Ų | 142.2 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | trans | -120.3 | 149.3 | 167.7 | -106.6 | -174.3 | -178.7 | -175.5 | 1.5 | 106.9 | ||||
| 723 | P | 41.8 | Very low | 37.3 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | -155.6 | -179.8 | 84.1 | 42.3 | -22.4 | 0 | 0 | 0 | 117.3 | |||||
| 724 | T | 27.4 | Very low | 35.3 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 77% | 0.767 | 80% | 0.8 | S | S | * | * | trans | 10.3 | 149.8 | 151.2 | 56.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 725 | V | 30.1 | Very low | 33.7 | Very low | 134 Ų | 134 | 148.6 Ų | 148.6 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | -158.4 | 163.6 | 63.2 | 164.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 726 | T | 29.7 | Very low | 32.6 | Very low | 139 Ų | 139 | 151.2 Ų | 151.2 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -83.8 | 159 | -173.5 | 42.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 727 | G | 29.4 | Very low | 32.4 | Very low | 74 Ų | 74 | 147 Ų | 147 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | 150.7 | 131.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 728 | L | 28.5 | Very low | 31.5 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | cis | 105.6 | 105.3 | -3.7 | -149.2 | -178.4 | 0 | 0 | 0 | 117.2 | ||||
| 729 | G | 28 | Very low | 30.9 | Very low | 65 Ų | 65 | 148.2 Ų | 148.2 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | trans | 151 | 95 | 156.6 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 730 | I | 28.9 | Very low | 30.5 | Very low | 149 Ų | 149 | 146 Ų | 146 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | 61.5 | 110.4 | 125.9 | -62.1 | 169.9 | 0 | 0 | 0 | 124.4 | |||||
| 731 | Q | 31.5 | Very low | 30.7 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | 54.9 | 158.6 | 125.1 | -54.4 | -172.7 | 0.5 | 0 | 0 | 128.3 | |||||
| 732 | T | 27.9 | Very low | 30.6 | Very low | 142 Ų | 142 | 142 Ų | 142 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | trans | 96.2 | 144.3 | 155.6 | 71.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 733 | G | 30.3 | Very low | 30.1 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | cis | 164.6 | 143.5 | -19 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 734 | R | 31.7 | Very low | 29.5 | Very low | 250 Ų | 250 | 141.4 Ų | 141.4 | 94% | 0.943 | 81% | 0.806 | S | S | * | * | trans | 73.1 | 165.8 | 165.7 | -62.1 | -175.2 | 173.3 | 179.7 | -2 | 116.8 | ||||
| 735 | V | 25.3 | Very low | 29.3 | Very low | 141 Ų | 141 | 139 Ų | 139 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | cis | -142.1 | 168.3 | 30.3 | -176.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 736 | F | 27 | Very low | 29 | Very low | 194 Ų | 194 | 136.3 Ų | 136.3 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -93.6 | -162.5 | 179.4 | -99.5 | -71.5 | 0 | 0 | 0 | 112.6 | ||||
| 737 | P | 39.8 | Very low | 28.8 | Very low | 108 Ų | 108 | 135 Ų | 135 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | cis | -125.6 | -162.7 | 6 | 40.1 | -18.2 | 0 | 0 | 0 | 113.6 | ||||
| 738 | T | 27.6 | Very low | 28.7 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | cis | -149.5 | -162.4 | 3.2 | -18.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 739 | S | 26.8 | Very low | 28.5 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | cis | -163.1 | 172.9 | -4.7 | 34.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 740 | H | 29.7 | Very low | 28.4 | Very low | 184 Ų | 184 | 140.2 Ų | 140.2 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | trans | -153.4 | -179.3 | 170.4 | -133.5 | -12.2 | 0 | 0 | 0 | 108.2 | ||||
| 741 | P | 40.4 | Very low | 28.2 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 62% | 0.623 | 80% | 0.796 | S | S | * | * | cis | -157.1 | -164.2 | 43.3 | 45.3 | -21.9 | 0 | 0 | 0 | 118.7 | ||||
| 742 | Q | 26.9 | Very low | 27.9 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | 99.8 | 143.3 | 141.7 | -88 | 168.7 | -2.7 | 0 | 0 | 123.9 | ||||
| 743 | D | 23.1 | Very low | 27.8 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -115.5 | 167.5 | -174.6 | -66.5 | -78.5 | 0 | 0 | 0 | 112.9 | ||||
| 744 | L | 29.4 | Very low | 27.5 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 95% | 0.948 | 80% | 0.797 | S | S | * | * | 172.6 | 128 | 123.9 | -95.3 | 159.2 | 0 | 0 | 0 | 116.1 | |||||
| 745 | G | 23.8 | Very low | 27.2 | Very low | 75 Ų | 75 | 140.3 Ų | 140.3 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | 98.9 | 79.7 | 121 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 746 | G | 24.2 | Very low | 27.2 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 67.4 | 155 | 149.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 747 | S | 24.4 | Very low | 26.9 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | cis | -165 | -179.2 | -2 | 51.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 748 | T | 27.1 | Very low | 26.1 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | cis | -146.4 | -176.6 | 22.7 | 22 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 749 | E | 24.9 | Very low | 25.9 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | trans | -66.2 | 162.9 | 172.8 | -67.6 | -172.9 | 157.2 | 0 | 0 | 115.1 | ||||
| 750 | I | 26 | Very low | 25.7 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 61% | 0.605 | 76% | 0.763 | S | S | * | * | cis | -157.2 | 140.7 | 8.2 | -128 | 162 | 0 | 0 | 0 | 112.6 | ||||
| 751 | K | 24.8 | Very low | 25.4 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | 58.7 | 145.9 | 154.9 | -64.6 | 173.3 | -174.3 | 169.9 | 0 | 119.7 | ||||
| 752 | N | 24.8 | Very low | 24.6 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | cis | -157.5 | 173.9 | 7.1 | -135.7 | 27.2 | 0 | 0 | 0 | 113.2 | ||||
| 753 | S | 25 | Very low | 24.4 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | 81.5 | 130.1 | 168.6 | 71.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 754 | E | 25.6 | Very low | 24.4 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | trans | -126.4 | 156.7 | -169.2 | -61.5 | 166.3 | 124.5 | 0 | 0 | 110.5 | ||||
| 755 | E | 25.1 | Very low | 24.3 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | trans | 43 | 154.5 | 132.7 | -65.8 | -155.1 | 161.6 | 0 | 0 | 123.7 | ||||
| 756 | L | 23.9 | Very low | 24.5 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 58% | 0.576 | 74% | 0.742 | S | S | * | * | cis | -170.7 | 174.7 | -28.5 | -112.7 | 174.5 | 0 | 0 | 0 | 108.9 | ||||
| 757 | F | 22.1 | Very low | 24.7 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 65% | 0.654 | 74% | 0.739 | S | S | * | * | trans | 62.9 | 120.4 | 147.6 | -69.2 | -39.3 | 0 | 0 | 0 | 124.3 | ||||
| 758 | R | 23.5 | Very low | 24.8 | Very low | 180 Ų | 180 | 151.8 Ų | 151.8 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | 86.3 | 159.9 | 122.7 | -68.3 | -176.4 | 170.8 | 165.6 | 2.8 | 122.1 | |||||
| 759 | Y | 22.1 | Very low | 24.7 | Very low | 185 Ų | 185 | 153.3 Ų | 153.3 | 73% | 0.725 | 75% | 0.745 | S | S | * | * | trans | -72.3 | 169.2 | -172.9 | -3.4 | -86.2 | 0 | 0 | 0 | 112.1 | ||||
| 760 | T | 23.5 | Very low | 24.8 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | cis | -165.8 | 156.1 | 31.3 | -15.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 761 | E | 23.8 | Very low | 24.7 | Very low | 163 Ų | 163 | 150.3 Ų | 150.3 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | 59.3 | 149.6 | 143.7 | -100.3 | -165.7 | 144.4 | 0 | 0 | 127 | ||||
| 762 | L | 22.5 | Very low | 24.8 | Very low | 132 Ų | 132 | 153.9 Ų | 153.9 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | 71.7 | 104.5 | 147.5 | -67 | 167.3 | 0 | 0 | 0 | 124.6 | ||||
| 763 | V | 22.4 | Very low | 24.7 | Very low | 127 Ų | 127 | 157.1 Ų | 157.1 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | 43.9 | 114.6 | 122.6 | -175.8 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 764 | D | 23.8 | Very low | 24.8 | Very low | 109 Ų | 109 | 155.9 Ų | 155.9 | 58% | 0.583 | 76% | 0.762 | S | S | * | * | 176.6 | 160.4 | 96.8 | -159.8 | 8.7 | 0 | 0 | 0 | 113.5 | |||||
| 765 | R | 27.9 | Very low | 25 | Very low | 190 Ų | 190 | 155 Ų | 155 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | trans | 29.4 | 94.4 | 153.9 | -89.9 | 177.2 | -85.8 | -148.3 | -10.8 | 119 | ||||
| 766 | R | 27.9 | Very low | 25.2 | Very low | 241 Ų | 241 | 155.5 Ų | 155.5 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | -174.6 | 155.8 | 109.8 | -103.8 | 151 | -77.2 | -138.5 | -5.3 | 111.8 | |||||
| 767 | G | 27.8 | Very low | 25.5 | Very low | 73 Ų | 73 | 156 Ų | 156 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | -91.2 | 155 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 768 | K | 27.4 | Very low | 26.2 | Very low | 202 Ų | 202 | 154.1 Ų | 154.1 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | trans | 66.7 | 144.3 | -170.7 | -67.3 | 179.6 | 176.3 | 176.8 | 0 | 111.8 | ||||
| 769 | I | 24.5 | Very low | 26.3 | Very low | 166 Ų | 166 | 155.1 Ų | 155.1 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | -142.7 | 154.3 | 63.9 | -80.4 | 159.2 | 0 | 0 | 0 | 113.2 | |||||
| 770 | T | 26.7 | Very low | 26.4 | Very low | 132 Ų | 132 | 152.1 Ų | 152.1 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -95.1 | 131.2 | 171.3 | 50.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 771 | A | 24.2 | Very low | 26.5 | Very low | 94 Ų | 94 | 154.5 Ų | 154.5 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -157.6 | 130.8 | 146.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 772 | R | 26.1 | Very low | 26.6 | Very low | 248 Ų | 248 | 157.5 Ų | 157.5 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | cis | 87.3 | 136.5 | 45.4 | -91.9 | -163.5 | 170.3 | -165.3 | -1.8 | 114.6 | ||||
| 773 | F | 24 | Very low | 26.7 | Very low | 209 Ų | 209 | 158.3 Ų | 158.3 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | -63.8 | 157.8 | -175.6 | -62.7 | -92.2 | 0 | 0 | 0 | 113.6 | ||||
| 774 | S | 25.4 | Very low | 27 | Very low | 89 Ų | 89 | 162.6 Ų | 162.6 | 62% | 0.622 | 80% | 0.798 | S | S | * | * | trans | -93 | 171.9 | -172.7 | 45.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 775 | H | 29.8 | Very low | 27.3 | Very low | 164 Ų | 164 | 162.5 Ų | 162.5 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | 75.5 | 84.3 | 167.3 | -42.2 | -67.5 | 0 | 0 | 0 | 118.1 | ||||
| 776 | L | 30.4 | Very low | 27.6 | Very low | 180 Ų | 180 | 165.3 Ų | 165.3 | 94% | 0.942 | 81% | 0.813 | S | S | * | * | -153.6 | 149.2 | 116.2 | -100.1 | 172.7 | 0 | 0 | 0 | 108.5 | |||||
| 777 | T | 29 | Very low | 27.6 | Very low | 122 Ų | 122 | 159.4 Ų | 159.4 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -134.9 | -179.3 | -161.4 | 74.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 778 | P | 36.7 | Very low | 27.8 | Very low | 109 Ų | 109 | 161.7 Ų | 161.7 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | -135.5 | 159.1 | -108.8 | 34.6 | -12.5 | 0 | 0 | 0 | 118 | |||||
| 779 | K | 26.5 | Very low | 28 | Very low | 201 Ų | 201 | 157.8 Ų | 157.8 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -171.9 | 111.8 | 143.6 | -101.8 | 151.6 | -174.2 | 176.8 | 0 | 108.4 | ||||
| 780 | V | 24.6 | Very low | 28.1 | Very low | 122 Ų | 122 | 158 Ų | 158 | 74% | 0.739 | 80% | 0.804 | S | S | * | * | 70.6 | 104.8 | 72.6 | 176.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 781 | I | 24.8 | Very low | 28.1 | Very low | 171 Ų | 171 | 162.6 Ų | 162.6 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -124.4 | 142.4 | 159.4 | -66.8 | -179.4 | 0 | 0 | 0 | 108.2 | ||||
| 782 | R | 25.2 | Very low | 28.1 | Very low | 227 Ų | 227 | 165.4 Ų | 165.4 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | -95.9 | 163.2 | -178.3 | -81.2 | 179.5 | 178 | -176.8 | -0.6 | 109.5 | ||||
| 783 | H | 25.7 | Very low | 28.2 | Very low | 148 Ų | 148 | 161.8 Ų | 161.8 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | cis | -177.2 | -177.9 | -1.7 | 157 | -101.1 | 0 | 0 | 0 | 107.8 | ||||
| 784 | R | 28.1 | Very low | 28.4 | Very low | 217 Ų | 217 | 159.8 Ų | 159.8 | 82% | 0.819 | 79% | 0.792 | S | S | * | * | trans | 97.3 | 101.1 | 176 | -65 | -167.7 | 165.7 | 159 | -1.2 | 115 | ||||
| 785 | T | 30.3 | Very low | 28.7 | Very low | 108 Ų | 108 | 163 Ų | 163 | 66% | 0.663 | 80% | 0.799 | S | S | * | * | 84.1 | 113.7 | 67.5 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 786 | R | 34.1 | Very low | 29.1 | Very low | 249 Ų | 249 | 163.1 Ų | 163.1 | 94% | 0.94 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 139.8 | -177.4 | -79.2 | 178.4 | 168.6 | 167 | -4.8 | 114.3 | ||
| 787 | P | 28.3 | Very low | 29.2 | Very low | 116 Ų | 116 | 159.6 Ų | 159.6 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 172.5 | 143.9 | -10.9 | 30.4 | 0 | 0 | 0 | 112.7 | ||
| 788 | P | 31 | Very low | 29.3 | Very low | 122 Ų | 122 | 159.8 Ų | 159.8 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -93 | 173 | -168 | 37.7 | -36.4 | 0 | 0 | 0 | 115.1 | ||
| 789 | P | 33 | Very low | 29 | Very low | 120 Ų | 120 | 161.1 Ų | 161.1 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 161 | -167.9 | 37.6 | -35.9 | 0 | 0 | 0 | 114.9 | ||
| 790 | I | 26.3 | Very low | 29.3 | Very low | 171 Ų | 171 | 158.6 Ų | 158.6 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -121 | 144.2 | 160.4 | -66 | 179.4 | 0 | 0 | 0 | 108.4 | ||||
| 791 | R | 27.3 | Very low | 29.5 | Very low | 227 Ų | 227 | 159.8 Ų | 159.8 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | trans | -112.8 | -178.4 | -178.6 | -85.5 | 179.2 | 160.7 | -172.3 | -5.1 | 110.1 | ||||
| 792 | L | 24.5 | Very low | 29.7 | Very low | 153 Ų | 153 | 160.2 Ų | 160.2 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | trans | 94.2 | 129.3 | -178 | -57.3 | 160.9 | 0 | 0 | 0 | 111.7 | ||||
| 793 | E | 27.4 | Very low | 29.8 | Very low | 172 Ų | 172 | 154 Ų | 154 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | cis | -148.4 | -161.8 | -11.9 | -150.4 | 156.8 | -154.4 | 0 | 0 | 111.3 | ||||
| 794 | K | 29 | Very low | 30 | Very low | 167 Ų | 167 | 153 Ų | 153 | 73% | 0.726 | 77% | 0.77 | S | S | * | * | trans | -59.4 | 144 | -173.4 | -64.1 | -177.6 | 174.2 | -163 | 0 | 113.1 | E796 | K794-E796 IonicContact NZ-OE2 3.69Š| ||
| 795 | M | 29.7 | Very low | 29.8 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -147.6 | 105.7 | 136.7 | -137.2 | 165.8 | 80.4 | 0 | 0 | 111 | E797 | M795-E797 VanDerWaalsContact C-N 3.34Å; M795-E797 HydrophobicContact CE-CB 4.47Å; M795-E797 PolarHBondContact O-N 3.3Å | ||
| 796 | E | 38.3 | Very low | 29.5 | Very low | 166 Ų | 166 | 149.6 Ų | 149.6 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -81.9 | 77.8 | 170.7 | -68.6 | 166.3 | 87.6 | 0 | 0 | 108.7 | K794 | K794-E796 IonicContact NZ-OE2 3.69Š| ||
| 797 | E | 34.4 | Very low | 29.3 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 50% | 0.495 | 77% | 0.767 | S | S | . | * | trans | -150.4 | 165.8 | 175.2 | -116.9 | -175.5 | 155.1 | 0 | 0 | 113.4 | M795 K801 | M795-E797 VanDerWaalsContact C-N 3.34Å; M795-E797 HydrophobicContact CE-CB 4.47Å; M795-E797 PolarHBondContact O-N 3.3Å; E797-K801 IonicContact OE1-NZ 2.72Å; E797-K801 PolarHBondContact OE1-NZ 2.89Å | ||
| 798 | T | 30.9 | Very low | 29.3 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 73.3 | 46.1 | 179.7 | 69.7 | 0 | 0 | 0 | 0 | 117.7 | ||
| 799 | T | 30.5 | Very low | 29.1 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -152.9 | -20.2 | 146.9 | -12.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 800 | N | 31.5 | Very low | 29.1 | Very low | 147 Ų | 147 | 151.5 Ų | 151.5 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -81.4 | 155 | 154.6 | -67.6 | -21.4 | 0 | 0 | 0 | 109.4 | ||
| 801 | K | 28.7 | Very low | 29.2 | Very low | 148 Ų | 148 | 150.5 Ų | 150.5 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | trans | 72.4 | 89.5 | -155 | -51 | 163.9 | -179.3 | 175 | 0 | 110 | E797 | E797-K801 IonicContact OE1-NZ 2.72Å; E797-K801 PolarHBondContact OE1-NZ 2.89Å | ||
| 802 | I | 28.8 | Very low | 29.5 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 92% | 0.918 | 75% | 0.754 | S | S | * | * | S | Bend | -118.2 | 60.9 | 58.1 | -41 | 177.1 | 0 | 0 | 0 | 112.7 | |||
| 803 | S | 27.7 | Very low | 29.6 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -143.9 | 138.8 | 163.8 | -68.4 | 0 | 0 | 0 | 0 | 108.7 | ||
| 804 | L | 30.3 | Very low | 30.1 | Very low | 128 Ų | 128 | 148.4 Ų | 148.4 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | trans | 51.5 | 91.7 | -179.6 | -89.4 | 67.6 | 0 | 0 | 0 | 117.3 | E807 | L804-E807 HydrophobicContact CD2-CG 4.17Š| ||
| 805 | A | 23.9 | Very low | 30.1 | Very low | 99 Ų | 99 | 147 Ų | 147 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | S | Bend | -149.9 | 120.6 | 127.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | |||
| 806 | L | 24.8 | Very low | 30.1 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | cis | -124.5 | 141.8 | 7.1 | -69.5 | 127.4 | 0 | 0 | 0 | 111.3 | I808 | L806-I808 HydrophobicContact CB-CG1 4.32Š| ||
| 807 | E | 29.5 | Very low | 30.1 | Very low | 157 Ų | 157 | 146.2 Ų | 146.2 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -80.5 | 147.2 | 139.7 | -67.7 | 177.6 | 136.9 | 0 | 0 | 107.7 | L804 | L804-E807 HydrophobicContact CD2-CG 4.17Š| ||
| 808 | I | 27.4 | Very low | 29.9 | Very low | 149 Ų | 149 | 150.3 Ų | 150.3 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | -121.8 | 132.5 | 166.7 | -67.4 | -179.5 | 0 | 0 | 0 | 107 | L806 E810 | L806-I808 HydrophobicContact CB-CG1 4.32Å; I808-E810 PolarHBondContact O-N 2.82Å | ||
| 809 | E | 27 | Very low | 30.2 | Very low | 145 Ų | 145 | 149 Ų | 149 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | -61.6 | 132.8 | 179.2 | -64.1 | -170.5 | 98 | 0 | 0 | 111.9 | K811 | E809-K811 PolarHBondContact O-N 3.35Å; E809-K811 IonicContact OE1-NZ 2.64Å; E809-K811 PolarHBondContact OE1-NZ 3.01Å; E809-K811 IonicContact OE2-NZ 3.05Å; E809-K811 PolarHBondContact OE2-NZ 2.92Å | ||
| 810 | E | 33.2 | Very low | 30.9 | Very low | 197 Ų | 197 | 148.8 Ų | 148.8 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -79 | 100 | 165.1 | -171.3 | 175.1 | -146.8 | 0 | 0 | 109.9 | I808 | I808-E810 PolarHBondContact O-N 2.82Š| ||
| 811 | K | 28.6 | Very low | 31.8 | Very low | 149 Ų | 149 | 149.1 Ų | 149.1 | 65% | 0.648 | 79% | 0.787 | S | S | * | * | trans | -126.3 | 83.1 | 172.8 | -88.7 | 173.3 | -178.6 | 147.4 | 0 | 112.4 | E809 | E809-K811 PolarHBondContact O-N 3.35Å; E809-K811 IonicContact OE1-NZ 2.64Å; E809-K811 PolarHBondContact OE1-NZ 3.01Å; E809-K811 IonicContact OE2-NZ 3.05Å; E809-K811 PolarHBondContact OE2-NZ 2.92Å | ||
| 812 | A | 33.2 | Very low | 33.3 | Very low | 94 Ų | 94 | 148.2 Ų | 148.2 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | 40.2 | 96.7 | 147.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 813 | L | 27.5 | Very low | 34.7 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -124 | 135.1 | 142.9 | -141.7 | 78.7 | 0 | 0 | 0 | 109.1 | ||||
| 814 | R | 36.5 | Very low | 36.1 | Very low | 248 Ų | 248 | 149 Ų | 149 | 94% | 0.936 | 77% | 0.773 | S | S | * | * | trans | -84.4 | 120.3 | 175.9 | -81.7 | -179.2 | 168.7 | -176.5 | -3.1 | 110.4 | ||||
| 815 | T | 29.5 | Very low | 37.5 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | trans | -146.4 | 159.3 | 156.6 | 4.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 816 | Q | 30.9 | Very low | 39.2 | Very low | 185 Ų | 185 | 144.2 Ų | 144.2 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | trans | -88.3 | 168.2 | -174.8 | -96.5 | -162.5 | 11.3 | 0 | 0 | 112.7 | ||||
| 817 | P | 36.6 | Very low | 41.1 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | trans | -77.3 | 146.9 | -165.9 | 30.8 | -36.5 | 0 | 0 | 0 | 113.8 | ||||
| 818 | E | 30.4 | Very low | 43.1 | Very low | 192 Ų | 192 | 137 Ų | 137 | 90% | 0.897 | 71% | 0.708 | S | S | * | * | trans | -122.5 | 162.9 | 169.1 | -68.6 | -165.3 | 146.8 | 0 | 0 | 112 | ||||
| 819 | S | 38 | Very low | 45 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 69% | 0.692 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 156.9 | -165.4 | 53.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 820 | P | 44.4 | Very low | 46.9 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 86% | 0.864 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 142.8 | 172.1 | 26 | -35.8 | 0 | 0 | 0 | 112.4 | ||
| 821 | Q | 51.2 | Low | 48.4 | Very low | 153 Ų | 153 | 124.2 Ų | 124.2 | 72% | 0.715 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 141.7 | 179.1 | -66.6 | -177.3 | -5.8 | 0 | 0 | 111.8 | ||
| 822 | D | 59 | Low | 50.4 | Low | 129 Ų | 129 | 117.8 Ų | 117.8 | 69% | 0.69 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 168.5 | -173.6 | -129.7 | -31.4 | 0 | 0 | 0 | 113.3 | R824 S825 | D822-R824 PolarHBondContact O-N 3.45Å; D822-S825 PolarHBondContact O-N 3.01Å; D822-S825 PolarHBondContact O-OG 3.46Å |
| 823 | C | 58.6 | Low | 52.2 | Low | 52 Ų | 52 | 117.4 Ų | 117.4 | 35% | 0.351 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.3 | 14.2 | 176.1 | -101.3 | 0 | 0 | 0 | 0 | 115.3 | C834 | C823-C834 HydrophobicContact CB-CB 4.02Å; C823-C834 WeakPolarHBondContact CB-SG 3.2Å; C823-C834 WeakPolarHBondContact SG-CB 3.38Å; C823-C834 CovalentContact SG-SG 2.05Å; C823-C834 PolarHBondContact SG-SG 2.89Å |
| 824 | R | 58.2 | Low | 54.5 | Low | 242 Ų | 242 | 111.4 Ų | 111.4 | 91% | 0.913 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -16 | 173.7 | -76.9 | -178.1 | 167.7 | 178.1 | -3 | 114.1 | D822 | D822-R824 PolarHBondContact O-N 3.45Š|
| 825 | S | 59.1 | Low | 56.1 | Low | 78 Ų | 78 | 102.5 Ų | 102.5 | 55% | 0.545 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -93 | -26.7 | -177.4 | 58.6 | 0 | 0 | 0 | 0 | 114.5 | D822 | D822-S825 PolarHBondContact O-N 3.01Å; D822-S825 PolarHBondContact O-OG 3.46Å |
| 826 | L | 59.4 | Low | 57.8 | Low | 48 Ų | 48 | 101.2 Ų | 101.2 | 25% | 0.251 | 56% | 0.562 | S | S | . | * | trans | -103.6 | 107.2 | -177.2 | -163.4 | 78.6 | 0 | 0 | 0 | 111.5 | C828 I841 | L826-C828 PolarHBondContact O-N 2.83Å; L826-I841 HydrophobicContact CB-CG2 4.26Å; L826-I841 HydrophobicContact CD2-CB 4.38Å; L826-I841 HydrophobicContact CD2-CG2 3.79Å | ||
| 827 | I | 65.9 | Low | 58.8 | Low | 132 Ų | 132 | 97.8 Ų | 97.8 | 68% | 0.677 | 55% | 0.546 | S | S | * | . | trans | -87.4 | 111.3 | 178.3 | -56.6 | 176.7 | 0 | 0 | 0 | 109.9 | ||||
| 828 | C | 70.1 | Confident | 59.3 | Low | 26 Ų | 26 | 103.2 Ų | 103.2 | 18% | 0.176 | 55% | 0.551 | C | S | . | * | trans | -76.3 | 137.4 | 169.8 | -56.1 | 0 | 0 | 0 | 0 | 110.8 | L826 G832 C843 | L826-C828 PolarHBondContact O-N 2.83Å; C828-G832 VanDerWaalsContact CB-O 3.26Å; C828-G832 WeakPolarHBondContact CB-O 3.13Å; C828-C843 WeakPolarHBondContact CA-SG 3.23Å; C828-C843 HydrophobicContact CB-CB 3.72Å; C828-C843 WeakPolarHBondContact CB-SG 3.01Å; C828-C843 VanDerWaalsContact SG-CA 3.56Å; C828-C843 WeakPolarHBondContact SG-CB 3.35Å; C828-C843 CovalentContact SG-SG 2.03Å; C828-C843 PolarHBondContact SG-SG 2.9Å | ||
| 829 | Q | 68.7 | Low | 60.7 | Low | 93 Ų | 93 | 97.7 Ų | 97.7 | 44% | 0.435 | 55% | 0.545 | S | S | . | . | trans | -102.9 | 173.8 | -177.3 | -52.6 | -174.3 | 28.6 | 0 | 0 | 111.1 | G831 G832 Q853 C854 | Q829-G831 PolarHBondContact O-N 2.89Å; Q829-G832 PolarHBondContact O-N 3.22Å; Q829-Q853 WeakPolarHBondContact CB-O 3.07Å; Q829-Q853 PolarHBondContact N-O 3.04Å; Q829-C854 WeakPolarHBondContact O-CB 3.23Å | ||
| 830 | N | 65.4 | Low | 61.5 | Low | 62 Ų | 62 | 96 Ų | 96 | 33% | 0.332 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 35.8 | 171.1 | -58.4 | -38.1 | 0 | 0 | 0 | 115.4 | F849 C854 | N830-F849 HydrophobicContact CB-CD1 3.88Å; N830-F849 HydrophobicContact CB-CD2 4.39Å; N830-F849 HydrophobicContact CB-CE1 3.99Å; N830-F849 HydrophobicContact CB-CG 4.08Å; N830-F849 HydrophobicContact CB-CZ 4.31Å; N830-C854 PolarHBondContact ND2-O 2.96Å |
| 831 | G | 65.5 | Low | 62.5 | Low | 68 Ų | 68 | 92.1 Ų | 92.1 | 70% | 0.701 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 9.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q829 | Q829-G831 PolarHBondContact O-N 2.89Š|
| 832 | G | 71.3 | Confident | 63.4 | Low | 14 Ų | 14 | 87.6 Ų | 87.6 | 14% | 0.144 | 49% | 0.488 | C | S | . | . | trans | -72.6 | 153.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | C828 Q829 S844 | C828-G832 VanDerWaalsContact CB-O 3.26Å; C828-G832 WeakPolarHBondContact CB-O 3.13Å; Q829-G832 PolarHBondContact O-N 3.22Å; G832-S844 CarbonylContact C-O 3.59Å; G832-S844 WeakPolarHBondContact CA-O 3.24Å | ||
| 833 | T | 71.1 | Confident | 64.2 | Low | 85 Ų | 85 | 81.8 Ų | 81.8 | 52% | 0.521 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 139.3 | -178.3 | 49.5 | 0 | 0 | 0 | 0 | 112.4 | V835 C843 S844 | T833-V835 PolarHBondContact O-N 2.95Å; T833-C843 WeakPolarHBondContact O-CA 3.43Å; T833-S844 PolarHBondContact N-O 3.17Å; T833-S844 PolarHBondContact O-N 2.92Å |
| 834 | C | 74.2 | Confident | 65.1 | Low | 41 Ų | 41 | 82.4 Ų | 82.4 | 28% | 0.277 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 119.4 | 176.2 | -164.6 | 0 | 0 | 0 | 0 | 109.6 | C823 I841 | C823-C834 HydrophobicContact CB-CB 4.02Å; C823-C834 WeakPolarHBondContact CB-SG 3.2Å; C823-C834 WeakPolarHBondContact SG-CB 3.38Å; C823-C834 CovalentContact SG-SG 2.05Å; C823-C834 PolarHBondContact SG-SG 2.89Å; C834-I841 WeakPolarHBondContact SG-CG2 3.4Å |
| 835 | V | 70.1 | Confident | 66 | Low | 62 Ų | 62 | 72.8 Ų | 72.8 | 38% | 0.376 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 146.7 | 174.8 | -69.9 | 0 | 0 | 0 | 0 | 110.3 | T833 V842 | T833-V835 PolarHBondContact O-N 2.95Å; V835-V842 VanDerWaalsContact CG2-O 3.26Å; V835-V842 WeakPolarHBondContact CG2-O 3.25Å; V835-V842 PolarHBondContact N-O 3.01Å; V835-V842 PolarHBondContact O-N 2.99Å |
| 836 | N | 65.1 | Low | 66.4 | Low | 111 Ų | 111 | 71 Ų | 71 | 59% | 0.594 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 101.7 | -175.4 | -171.5 | -9.3 | 0 | 0 | 0 | 109.4 | ||
| 837 | E | 52.4 | Low | 67 | Low | 113 Ų | 113 | 75.8 Ų | 75.8 | 53% | 0.528 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120.9 | 176.6 | -74.7 | -152.4 | 140.4 | 0 | 0 | 110.6 | G839 S840 | E837-G839 PolarHBondContact O-N 2.64Å; E837-G839 VanDerWaalsContact O-N 3.12Å; E837-S840 PolarHBondContact N-O 3.08Å; E837-S840 PolarHBondContact O-N 3.23Å; E837-S840 VanDerWaalsContact O-O 3.07Å; E837-S840 PolarHBondContact O-OG 2.86Å |
| 838 | R | 47.2 | Very low | 67.1 | Low | 235 Ų | 235 | 71.2 Ų | 71.2 | 89% | 0.887 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 39.7 | 172 | -75.9 | 175.7 | -83.8 | -135.1 | -8.7 | 114.3 | S840 | R838-S840 VanDerWaalsContact C-N 3.28Å; R838-S840 PolarHBondContact O-N 3.25Å |
| 839 | G | 59.3 | Low | 67.3 | Low | 76 Ų | 76 | 72.6 Ų | 72.6 | 78% | 0.784 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 5.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E837 | E837-G839 PolarHBondContact O-N 2.64Å; E837-G839 VanDerWaalsContact O-N 3.12Å |
| 840 | S | 55.8 | Low | 67.4 | Low | 63 Ų | 63 | 73.1 Ų | 73.1 | 44% | 0.441 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 131.2 | 170.3 | 67.5 | 0 | 0 | 0 | 0 | 110.4 | E837 R838 | E837-S840 PolarHBondContact N-O 3.08Å; E837-S840 PolarHBondContact O-N 3.23Å; E837-S840 VanDerWaalsContact O-O 3.07Å; E837-S840 PolarHBondContact O-OG 2.86Å; R838-S840 VanDerWaalsContact C-N 3.28Å; R838-S840 PolarHBondContact O-N 3.25Å |
| 841 | I | 64.9 | Low | 67.7 | Low | 51 Ų | 51 | 71.8 Ų | 71.8 | 26% | 0.262 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 121.4 | 178.2 | -56.8 | 179.4 | 0 | 0 | 0 | 108.3 | L826 C834 | L826-I841 HydrophobicContact CB-CG2 4.26Å; L826-I841 HydrophobicContact CD2-CB 4.38Å; L826-I841 HydrophobicContact CD2-CG2 3.79Å; C834-I841 WeakPolarHBondContact SG-CG2 3.4Å |
| 842 | V | 70.5 | Confident | 68 | Low | 59 Ų | 59 | 77.5 Ų | 77.5 | 36% | 0.358 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 143 | -173.9 | -175.8 | 0 | 0 | 0 | 0 | 109.8 | V835 | V835-V842 VanDerWaalsContact CG2-O 3.26Å; V835-V842 WeakPolarHBondContact CG2-O 3.25Å; V835-V842 PolarHBondContact N-O 3.01Å; V835-V842 PolarHBondContact O-N 2.99Å |
| 843 | C | 76 | Confident | 68.1 | Low | 7 Ų | 7 | 79.1 Ų | 79.1 | 5% | 0.047 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 122.8 | 173.8 | -65.3 | 0 | 0 | 0 | 0 | 111.2 | C828 T833 R852 | C828-C843 WeakPolarHBondContact CA-SG 3.23Å; C828-C843 HydrophobicContact CB-CB 3.72Å; C828-C843 WeakPolarHBondContact CB-SG 3.01Å; C828-C843 VanDerWaalsContact SG-CA 3.56Å; C828-C843 WeakPolarHBondContact SG-CB 3.35Å; C828-C843 CovalentContact SG-SG 2.03Å; C828-C843 PolarHBondContact SG-SG 2.9Å; T833-C843 WeakPolarHBondContact O-CA 3.43Å; C843-R852 WeakPolarHBondContact CB-O 3.32Å |
| 844 | S | 76.1 | Confident | 68.4 | Low | 64 Ų | 64 | 75 Ų | 75 | 45% | 0.448 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 127 | 169.1 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | G832 T833 | G832-S844 CarbonylContact C-O 3.59Å; G832-S844 WeakPolarHBondContact CA-O 3.24Å; T833-S844 PolarHBondContact N-O 3.17Å; T833-S844 PolarHBondContact O-N 2.92Å |
| 845 | C | 77.9 | Confident | 68.4 | Low | 41 Ų | 41 | 75.5 Ų | 75.5 | 28% | 0.277 | 42% | 0.42 | S | S | . | . | trans | -104.3 | 144.8 | -165.2 | -56.3 | 0 | 0 | 0 | 0 | 114.3 | F849 C854 | C845-F849 HydrophobicContact CB-CB 4.35Å; C845-F849 VanDerWaalsContact CB-O 3.29Å; C845-F849 WeakPolarHBondContact CB-O 3.41Å; C845-C854 WeakPolarHBondContact CA-SG 3.36Å; C845-C854 HydrophobicContact CB-CB 3.72Å; C845-C854 WeakPolarHBondContact CB-SG 3.44Å; C845-C854 WeakPolarHBondContact SG-CA 3.41Å; C845-C854 WeakPolarHBondContact SG-CB 3.45Å; C845-C854 CovalentContact SG-SG 2.04Å; C845-C854 PolarHBondContact SG-SG 2.85Å | ||
| 846 | A | 68.1 | Low | 68.7 | Low | 41 Ų | 41 | 75.1 Ų | 75.1 | 34% | 0.339 | 42% | 0.416 | S | S | . | . | trans | -63.7 | 153.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G848 F849 | A846-G848 PolarHBondContact O-N 3.08Å; A846-F849 PolarHBondContact O-N 2.85Å | ||
| 847 | T | 71.1 | Confident | 69.2 | Low | 147 Ų | 147 | 73.1 Ų | 73.1 | 90% | 0.902 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 120 | -176.8 | 49 | 0 | 0 | 0 | 0 | 112 | ||
| 848 | G | 68.4 | Low | 70.2 | Confident | 37 Ų | 37 | 68.4 Ų | 68.4 | 38% | 0.381 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.5 | -12.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | A846 C858 | A846-G848 PolarHBondContact O-N 3.08Å; G848-C858 PolarHBondContact O-N 2.74Å |
| 849 | F | 74.3 | Confident | 71 | Confident | 55 Ų | 55 | 63.4 Ų | 63.4 | 24% | 0.241 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 147.4 | 178 | -62.7 | -89.3 | 0 | 0 | 0 | 112.8 | N830 C845 A846 C854 L856 L857 V906 | N830-F849 HydrophobicContact CB-CD1 3.88Å; N830-F849 HydrophobicContact CB-CD2 4.39Å; N830-F849 HydrophobicContact CB-CE1 3.99Å; N830-F849 HydrophobicContact CB-CG 4.08Å; N830-F849 HydrophobicContact CB-CZ 4.31Å; C845-F849 HydrophobicContact CB-CB 4.35Å; C845-F849 VanDerWaalsContact CB-O 3.29Å; C845-F849 WeakPolarHBondContact CB-O 3.41Å; A846-F849 PolarHBondContact O-N 2.85Å; F849-C854 HydrophobicContact CB-CB 4.43Å; F849-L856 CarbonylContact C-O 3.6Å; F849-L856 WeakPolarHBondContact CA-O 3.37Å; F849-L857 HydrophobicContact CD1-CB 4.25Å; F849-L857 HydrophobicContact CD1-CD1 4.18Å; F849-L857 HydrophobicContact CE1-CB 4.02Å; F849-L857 HydrophobicContact CE1-CD1 3.7Å; F849-L857 HydrophobicContact CE1-CG 4.43Å; F849-L857 HydrophobicContact CE2-CD1 4.22Å; F849-L857 HydrophobicContact CZ-CD1 3.73Å; F849-V906 HydrophobicContact CD1-CG2 4.44Å; F849-V906 HydrophobicContact CE1-CG2 4.01Å |
| 850 | K | 71.2 | Confident | 71.2 | Confident | 104 Ų | 104 | 68.6 Ų | 68.6 | 45% | 0.452 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 171.9 | 176.6 | -64.7 | -173.8 | 177.8 | 173.2 | 0 | 110.6 | C854 E855 L856 E901 | K850-C854 CarbonylContact O-C 3.22Å; K850-E855 PolarHBondContact O-N 3.5Å; K850-L856 PolarHBondContact N-O 2.94Å; K850-L856 WeakPolarHBondContact O-CA 3.38Å; K850-L856 VanDerWaalsContact O-CB 3.29Å; K850-L856 WeakPolarHBondContact O-CB 3.5Å; K850-L856 PolarHBondContact O-N 3.39Å; K850-E901 IonicContact NZ-OE2 3.55Å; K850-E901 PolarHBondContact NZ-OE2 3.42Å |
| 851 | G | 71.3 | Confident | 71.7 | Confident | 33 Ų | 33 | 68.5 Ų | 68.5 | 34% | 0.34 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 110.6 | 166.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q853 C854 E855 | G851-Q853 PolarHBondContact O-N 3.14Å; G851-C854 PolarHBondContact O-N 3.39Å; G851-E855 WeakPolarHBondContact CA-OE2 3.45Å |
| 852 | R | 71.8 | Confident | 71.1 | Confident | 188 Ų | 188 | 69.8 Ų | 69.8 | 71% | 0.709 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -20 | -172.3 | 60.7 | 170.4 | -173.2 | 178 | 5.6 | 114 | C843 E855 | C843-R852 WeakPolarHBondContact CB-O 3.32Å; R852-E855 VanDerWaalsContact CG-OE1 3.29Å; R852-E855 WeakPolarHBondContact CG-OE1 3.04Å; R852-E855 PolarHBondContact N-OE2 3.09Å |
| 853 | Q | 72.8 | Confident | 70.4 | Confident | 48 Ų | 48 | 71.6 Ų | 71.6 | 22% | 0.224 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | 16.8 | 175 | -72.4 | 177.7 | -12.9 | 0 | 0 | 111.4 | Q829 G851 E855 | Q829-Q853 WeakPolarHBondContact CB-O 3.07Å; Q829-Q853 PolarHBondContact N-O 3.04Å; G851-Q853 PolarHBondContact O-N 3.14Å; Q853-E855 VanDerWaalsContact C-N 3.35Å; Q853-E855 WeakPolarHBondContact CA-OE2 3.44Å; Q853-E855 PolarHBondContact N-OE2 3.39Å |
| 854 | C | 78.2 | Confident | 69.2 | Low | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 41% | 0.409 | C | S | . | . | S | Bend | trans | 63.7 | 34.1 | -175.7 | -47.4 | 0 | 0 | 0 | 0 | 114.4 | Q829 N830 C845 F849 K850 G851 | Q829-C854 WeakPolarHBondContact O-CB 3.23Å; N830-C854 PolarHBondContact ND2-O 2.96Å; C845-C854 WeakPolarHBondContact CA-SG 3.36Å; C845-C854 HydrophobicContact CB-CB 3.72Å; C845-C854 WeakPolarHBondContact CB-SG 3.44Å; C845-C854 WeakPolarHBondContact SG-CA 3.41Å; C845-C854 WeakPolarHBondContact SG-CB 3.45Å; C845-C854 CovalentContact SG-SG 2.04Å; C845-C854 PolarHBondContact SG-SG 2.85Å; F849-C854 HydrophobicContact CB-CB 4.43Å; K850-C854 CarbonylContact O-C 3.22Å; G851-C854 PolarHBondContact O-N 3.39Å |
| 855 | E | 73.6 | Confident | 68.2 | Low | 50 Ų | 50 | 74.8 Ų | 74.8 | 23% | 0.234 | 40% | 0.399 | C | S | . | . | trans | -82.5 | -10.5 | -172.2 | 66.9 | -90.3 | -133.3 | 0 | 0 | 115.6 | K850 G851 R852 Q853 V906 | K850-E855 PolarHBondContact O-N 3.5Å; G851-E855 WeakPolarHBondContact CA-OE2 3.45Å; R852-E855 VanDerWaalsContact CG-OE1 3.29Å; R852-E855 WeakPolarHBondContact CG-OE1 3.04Å; R852-E855 PolarHBondContact N-OE2 3.09Å; Q853-E855 VanDerWaalsContact C-N 3.35Å; Q853-E855 WeakPolarHBondContact CA-OE2 3.44Å; Q853-E855 PolarHBondContact N-OE2 3.39Å; E855-V906 PolarHBondContact O-N 3.44Å | ||
| 856 | L | 76.3 | Confident | 66.8 | Low | 54 Ų | 54 | 77.4 Ų | 77.4 | 28% | 0.283 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 133.8 | -179.3 | -45.9 | 178.3 | 0 | 0 | 0 | 111.2 | F849 K850 C903 E904 P905 | F849-L856 CarbonylContact C-O 3.6Å; F849-L856 WeakPolarHBondContact CA-O 3.37Å; K850-L856 PolarHBondContact N-O 2.94Å; K850-L856 WeakPolarHBondContact O-CA 3.38Å; K850-L856 VanDerWaalsContact O-CB 3.29Å; K850-L856 WeakPolarHBondContact O-CB 3.5Å; K850-L856 PolarHBondContact O-N 3.39Å; L856-C903 HydrophobicContact CB-CB 4.36Å; L856-E904 CarbonylContact C-O 3.52Å; L856-E904 WeakPolarHBondContact CA-O 3.47Å; L856-P905 HydrophobicContact CD2-CB 3.84Å |
| 857 | L | 75.8 | Confident | 65.6 | Low | 69 Ų | 69 | 81.9 Ų | 81.9 | 36% | 0.361 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 128.7 | 168.2 | 177.5 | 70.1 | 0 | 0 | 0 | 109.4 | F849 C903 E904 V906 | F849-L857 HydrophobicContact CD1-CB 4.25Å; F849-L857 HydrophobicContact CD1-CD1 4.18Å; F849-L857 HydrophobicContact CE1-CB 4.02Å; F849-L857 HydrophobicContact CE1-CD1 3.7Å; F849-L857 HydrophobicContact CE1-CG 4.43Å; F849-L857 HydrophobicContact CE2-CD1 4.22Å; F849-L857 HydrophobicContact CZ-CD1 3.73Å; L857-C903 CarbonylContact O-C 3.56Å; L857-C903 VanDerWaalsContact O-CA 3.26Å; L857-C903 WeakPolarHBondContact O-CA 3.46Å; L857-E904 PolarHBondContact N-O 2.9Å; L857-E904 PolarHBondContact O-N 2.87Å; L857-V906 HydrophobicContact CB-CG2 4.11Å |
| 858 | C | 73.9 | Confident | 64 | Low | 15 Ų | 15 | 80.1 Ų | 80.1 | 10% | 0.101 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129 | -175.9 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | G848 I902 C903 | G848-C858 PolarHBondContact O-N 2.74Å; C858-I902 CarbonylContact C-O 3.56Å; C858-I902 VanDerWaalsContact CA-O 3.31Å; C858-I902 WeakPolarHBondContact CA-O 3.45Å; C858-C903 HydrophobicContact CB-CB 4.11Å; C858-C903 WeakPolarHBondContact CB-SG 3.33Å; C858-C903 WeakPolarHBondContact SG-CB 3.42Å; C858-C903 CovalentContact SG-SG 2.04Å; C858-C903 PolarHBondContact SG-SG 2.95Å |
| 859 | Q | 64.2 | Low | 62.7 | Low | 130 Ų | 130 | 82.9 Ų | 82.9 | 61% | 0.607 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 146.6 | 177 | -63.8 | -172.9 | 0.2 | 0 | 0 | 111.6 | E901 I902 | Q859-E901 CarbonylContact O-C 3.54Å; Q859-E901 WeakPolarHBondContact O-CA 3.32Å; Q859-I902 PolarHBondContact N-O 3.37Å; Q859-I902 PolarHBondContact O-N 2.61Å |
| 860 | R | 63.3 | Low | 61 | Low | 185 Ų | 185 | 82.5 Ų | 82.5 | 70% | 0.698 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.8 | 173.5 | -73.8 | -176.4 | 173.9 | -169.8 | -4.6 | 110.3 | E901 | R860-E901 HydrophobicContact CG-CB 4.46Å; R860-E901 HydrophobicContact CG-CG 3.86Å; R860-E901 WeakPolarHBondContact CG-OE1 3.17Å; R860-E901 IonicContact CZ-OE1 2.82Å; R860-E901 IonicContact NE-OE1 3.61Å; R860-E901 PolarHBondContact NE-OE1 3.26Å; R860-E901 IonicContact NH2-OE1 3.64Å; R860-E901 PolarHBondContact NH2-OE1 3.42Å |
| 861 | V | 65.5 | Low | 59.4 | Low | 61 Ų | 61 | 81.6 Ų | 81.6 | 37% | 0.37 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.8 | -179.4 | -171.8 | 0 | 0 | 0 | 0 | 109 | Y899 R900 I902 | V861-Y899 WeakPolarHBondContact O-CA 3.24Å; V861-R900 PolarHBondContact N-O 2.04Å; V861-R900 PolarHBondContact O-N 2.65Å; V861-I902 HydrophobicContact CB-CD1 4.32Å; V861-I902 HydrophobicContact CG2-CD1 3.93Å; V861-I902 HydrophobicContact CG2-CG1 4.29Å |
| 862 | P | 53.1 | Low | 57.7 | Low | 78 Ų | 78 | 83.5 Ų | 83.5 | 51% | 0.506 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 144 | 176.5 | 24.5 | -33.1 | 0 | 0 | 0 | 111.7 | V897 C898 Y899 | P862-V897 HydrophobicContact CB-CG1 3.49Å; P862-V897 VanDerWaalsContact CB-CG1 3.49Å; P862-C898 CarbonylContact C-O 3.39Å; P862-C898 WeakPolarHBondContact CA-O 3.22Å; P862-Y899 HydrophobicContact CB-CD1 4.12Å; P862-Y899 HydrophobicContact CB-CE1 3.88Å; P862-Y899 HydrophobicContact CG-CE1 4.49Å |
| 863 | H | 55.6 | Low | 56 | Low | 97 Ų | 97 | 81.5 Ų | 81.5 | 45% | 0.449 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 126.8 | -179.7 | -168.6 | 73 | 0 | 0 | 0 | 109.6 | C865 C898 R900 | H863-C865 PolarHBondContact O-N 3.2Å; H863-C898 PolarHBondContact N-O 3.49Å; H863-C898 CarbonylContact O-C 3.53Å; H863-C898 WeakPolarHBondContact O-CA 3.4Å; H863-C898 PolarHBondContact O-N 3.08Å; H863-C898 VanDerWaalsContact O-O 3.08Å; H863-R900 HydrophobicContact CB-CB 4.34Å |
| 864 | P | 50.5 | Low | 54.4 | Low | 103 Ų | 103 | 82.1 Ų | 82.1 | 67% | 0.669 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 137.4 | -177.2 | 27.9 | -34.8 | 0 | 0 | 0 | 111 | ||
| 865 | C | 55.6 | Low | 52.6 | Low | 34 Ų | 34 | 86.2 Ų | 86.2 | 23% | 0.23 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 162 | 176 | 59.9 | 0 | 0 | 0 | 0 | 109.9 | H863 D896 C898 | H863-C865 PolarHBondContact O-N 3.2Å; C865-D896 PolarHBondContact N-O 3.39Å; C865-D896 PolarHBondContact O-N 2.91Å; C865-C898 HydrophobicContact CB-CB 3.82Å; C865-C898 WeakPolarHBondContact CB-SG 3.1Å; C865-C898 WeakPolarHBondContact SG-CB 3.42Å; C865-C898 PolarHBondContact SG-N 3.38Å; C865-C898 CovalentContact SG-SG 2.04Å; C865-C898 PolarHBondContact SG-SG 3.17Å |
| 866 | T | 48 | Very low | 50.9 | Low | 96 Ų | 96 | 87.8 Ų | 87.8 | 59% | 0.589 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.7 | -179.3 | 5.9 | 0 | 0 | 0 | 0 | 110.4 | V893 Q894 Q895 | T866-V893 HydrophobicContact CG2-CG1 3.53Å; T866-Q894 CarbonylContact C-O 3.59Å; T866-Q894 WeakPolarHBondContact CA-O 3.12Å; T866-Q895 HydrophobicContact CG2-CG 3.97Å |
| 867 | R | 42.8 | Very low | 49.3 | Very low | 135 Ų | 135 | 87.7 Ų | 87.7 | 51% | 0.509 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 131.9 | 178.1 | -166.8 | 161.2 | 179.7 | 165 | 0.4 | 109.7 | Y869 Q894 D896 | R867-Y869 HydrophobicContact CB-CE2 4.22Å; R867-Y869 VanDerWaalsContact CD-OH 3.3Å; R867-Y869 WeakPolarHBondContact CD-OH 2.99Å; R867-Y869 HydrophobicContact CG-CE1 4.36Å; R867-Y869 HydrophobicContact CG-CE2 3.9Å; R867-Y869 PolarHBondContact NE-OH 3.22Å; R867-Q894 PolarHBondContact N-O 2.95Å; R867-Q894 PolarHBondContact O-N 2.8Å; R867-D896 HydrophobicContact CB-CB 4.15Å; R867-D896 VanDerWaalsContact CD-OD2 3.28Å; R867-D896 WeakPolarHBondContact CD-OD2 3.06Å; R867-D896 IonicContact NH1-OD2 3.91Å |
| 868 | L | 37.4 | Very low | 47.8 | Very low | 111 Ų | 111 | 90.5 Ų | 90.5 | 58% | 0.581 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 115.6 | -170.8 | -158.6 | 152.4 | 0 | 0 | 0 | 109.3 | Y891 V893 | L868-Y891 HydrophobicContact CD2-CD1 3.77Å; L868-Y891 HydrophobicContact CD2-CG 4.38Å; L868-V893 HydrophobicContact CD1-CG2 4.01Å; L868-V893 HydrophobicContact CG-CG2 4.1Å |
| 869 | Y | 41 | Very low | 46.1 | Very low | 95 Ų | 95 | 95.5 Ų | 95.5 | 37% | 0.373 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 146.1 | -178.1 | -62.6 | -81.8 | 0 | 0 | 0 | 109.9 | R867 Y891 K892 Q894 | R867-Y869 HydrophobicContact CB-CE2 4.22Å; R867-Y869 VanDerWaalsContact CD-OH 3.3Å; R867-Y869 WeakPolarHBondContact CD-OH 2.99Å; R867-Y869 HydrophobicContact CG-CE1 4.36Å; R867-Y869 HydrophobicContact CG-CE2 3.9Å; R867-Y869 PolarHBondContact NE-OH 3.22Å; Y869-Y891 CarbonylContact O-C 3.59Å; Y869-Y891 VanDerWaalsContact O-CA 3.32Å; Y869-Y891 WeakPolarHBondContact O-CA 3.36Å; Y869-K892 PolarHBondContact N-O 3.28Å; Y869-K892 PolarHBondContact O-N 2.02Å; Y869-Q894 HydrophobicContact CD2-CB 4.44Å; Y869-Q894 HydrophobicContact CE2-CB 4.15Å |
| 870 | S | 38.6 | Very low | 45 | Very low | 47 Ų | 47 | 93 Ų | 93 | 33% | 0.329 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 110.4 | 173.1 | 78.9 | 0 | 0 | 0 | 0 | 110.9 | R889 Y891 | S870-R889 PolarHBondContact OG-NE 2.79Å; S870-R889 VanDerWaalsContact OG-NE 3.13Å; S870-R889 PolarHBondContact OG-NH2 2.9Å; S870-Y891 VanDerWaalsContact CB-CD1 3.47Å; S870-Y891 VanDerWaalsContact CB-CE1 3.45Å |
| 871 | E | 37.3 | Very low | 44.1 | Very low | 85 Ų | 85 | 87 Ų | 87 | 40% | 0.397 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 138.5 | 167.4 | -75.9 | 161.6 | -148.6 | 0 | 0 | 108.8 | R889 T890 K892 | E871-R889 CarbonylContact O-C 3.57Å; E871-R889 WeakPolarHBondContact O-CA 3.18Å; E871-T890 PolarHBondContact N-O 3.06Å; E871-T890 PolarHBondContact O-N 3.47Å; E871-T890 PolarHBondContact O-OG1 3.48Å; E871-K892 WeakPolarHBondContact OE1-CD 3.29Å; E871-K892 VanDerWaalsContact OE1-CE 3.28Å; E871-K892 WeakPolarHBondContact OE1-CE 3.32Å; E871-K892 IonicContact OE1-NZ 2.77Å; E871-K892 PolarHBondContact OE1-NZ 3.35Å; E871-K892 VanDerWaalsContact OE2-CE 3.24Å; E871-K892 WeakPolarHBondContact OE2-CE 3.34Å; E871-K892 IonicContact OE2-NZ 2.66Å; E871-K892 PolarHBondContact OE2-NZ 3.25Å |
| 872 | T | 37.2 | Very low | 42.7 | Very low | 73 Ų | 73 | 87 Ų | 87 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 123.7 | 173.7 | -46.4 | 0 | 0 | 0 | 0 | 108.1 | K888 R889 | T872-K888 WeakPolarHBondContact CA-O 3.43Å; T872-R889 HydrophobicContact CG2-CB 4.19Å; T872-R889 HydrophobicContact CG2-CG 4.47Å; T872-R889 WeakPolarHBondContact OG1-CD 3.31Å; T872-R889 WeakPolarHBondContact OG1-CG 3.43Å |
| 873 | K | 36 | Very low | 42 | Very low | 146 Ų | 146 | 84.7 Ų | 84.7 | 64% | 0.635 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127.5 | 172.1 | -68.1 | -164.5 | 173.1 | -162.8 | 0 | 109.5 | K888 | K873-K888 PolarHBondContact N-O 2.88Å; K873-K888 PolarHBondContact O-N 3.36Å |
| 874 | S | 39.7 | Very low | 41.5 | Very low | 61 Ų | 61 | 85 Ų | 85 | 43% | 0.427 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 147 | 161 | 35.2 | 0 | 0 | 0 | 0 | 109.6 | Q886 | S874-Q886 CarbonylContact C-O 3.56Å |
| 875 | I | 39.6 | Very low | 41.1 | Very low | 86 Ų | 86 | 83.5 Ų | 83.5 | 44% | 0.441 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 122.9 | 169.5 | -57.3 | 176.4 | 0 | 0 | 0 | 106.3 | V877 Q886 | I875-V877 HydrophobicContact CG2-CG2 4.47Å; I875-Q886 PolarHBondContact N-O 3.26Å; I875-Q886 PolarHBondContact O-N 3.47Å |
| 876 | P | 38.4 | Very low | 40.3 | Very low | 83 Ų | 83 | 88.2 Ų | 88.2 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 132.1 | 172 | 29.7 | -32.8 | 0 | 0 | 0 | 109.6 | H884 | P876-H884 CarbonylContact C-O 3.46Å; P876-H884 WeakPolarHBondContact CA-O 3.38Å |
| 877 | V | 42.8 | Very low | 40 | Very low | 52 Ų | 52 | 91 Ų | 91 | 32% | 0.315 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 122.7 | 178.8 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | I875 H884 Q886 | I875-V877 HydrophobicContact CG2-CG2 4.47Å; V877-H884 PolarHBondContact N-O 2.87Å; V877-H884 PolarHBondContact O-N 2.82Å; V877-Q886 HydrophobicContact CG2-CB 3.99Å |
| 878 | W | 42.4 | Very low | 39.8 | Very low | 128 Ų | 128 | 91.2 Ų | 91.2 | 49% | 0.485 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 124.5 | 171.2 | -84 | 89.2 | 0 | 0 | 0 | 109.7 | T73 C883 | T73-W878 HydrophobicContact CG2-CZ2 4.44Å; W878-C883 HydrophobicContact CD2-CB 4.34Å; W878-C883 HydrophobicContact CZ2-CB 4.19Å |
| 879 | D | 39.8 | Very low | 39.9 | Very low | 119 Ų | 119 | 92.6 Ų | 92.6 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 142.3 | 173.5 | -167.9 | 5.3 | 0 | 0 | 0 | 109.3 | G881 V882 | D879-G881 PolarHBondContact O-N 2.84Å; D879-V882 PolarHBondContact N-O 3.36Å; D879-V882 VanDerWaalsContact N-O 3.15Å; D879-V882 PolarHBondContact O-N 2.88Å |
| 880 | G | 40.4 | Very low | 39.8 | Very low | 79 Ų | 79 | 90.9 Ų | 90.9 | 81% | 0.814 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 12.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 881 | G | 45.4 | Very low | 40 | Very low | 58 Ų | 58 | 95.5 Ų | 95.5 | 60% | 0.598 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | 13 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D879 | D879-G881 PolarHBondContact O-N 2.84Š|
| 882 | V | 35.6 | Very low | 40.2 | Very low | 61 Ų | 61 | 96.5 Ų | 96.5 | 37% | 0.37 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 140.1 | 174.7 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | D879 H884 | D879-V882 PolarHBondContact N-O 3.36Å; D879-V882 VanDerWaalsContact N-O 3.15Å; D879-V882 PolarHBondContact O-N 2.88Å; V882-H884 PolarHBondContact O-CD2 3.22Å |
| 883 | C | 38.8 | Very low | 40.5 | Very low | 30 Ų | 30 | 97.8 Ų | 97.8 | 20% | 0.203 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 119.1 | 175.1 | -166.9 | 0 | 0 | 0 | 0 | 110.3 | W878 | W878-C883 HydrophobicContact CD2-CB 4.34Å; W878-C883 HydrophobicContact CZ2-CB 4.19Å |
| 884 | H | 43.3 | Very low | 40.7 | Very low | 102 Ų | 102 | 96.3 Ų | 96.3 | 47% | 0.472 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 147.8 | 179.2 | -67.4 | -74.5 | 0 | 0 | 0 | 111.1 | P876 V877 V882 | P876-H884 CarbonylContact C-O 3.46Å; P876-H884 WeakPolarHBondContact CA-O 3.38Å; V877-H884 PolarHBondContact N-O 2.87Å; V877-H884 PolarHBondContact O-N 2.82Å; V882-H884 PolarHBondContact O-CD2 3.22Å |
| 885 | Y | 42.5 | Very low | 41 | Very low | 72 Ų | 72 | 101.8 Ų | 101.8 | 28% | 0.282 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 117.6 | 179 | -70.7 | -103.3 | 0 | 0 | 0 | 110.5 | D56 Y887 | D56-Y885 WeakPolarHBondContact OD2-CE1 3.35Å; D56-Y885 PolarHBondContact OD2-OH 3.37Å; Y885-Y887 WeakPolarHBondContact O-CD2 3.33Å; Y885-Y887 VanDerWaalsContact O-CE2 3.32Å; Y885-Y887 WeakPolarHBondContact O-CE2 3.42Å |
| 886 | Q | 39.4 | Very low | 41.6 | Very low | 134 Ų | 134 | 100.7 Ų | 100.7 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 120.3 | 179 | -144.2 | -178.8 | 79.8 | 0 | 0 | 110 | S874 I875 V877 | S874-Q886 CarbonylContact C-O 3.56Å; I875-Q886 PolarHBondContact N-O 3.26Å; I875-Q886 PolarHBondContact O-N 3.47Å; V877-Q886 HydrophobicContact CG2-CB 3.99Å |
| 887 | Y | 42.3 | Very low | 42.4 | Very low | 155 Ų | 155 | 100.5 Ų | 100.5 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 109.7 | -172.1 | -62.9 | -90.8 | 0 | 0 | 0 | 111.6 | Y885 | Y885-Y887 WeakPolarHBondContact O-CD2 3.33Å; Y885-Y887 VanDerWaalsContact O-CE2 3.32Å; Y885-Y887 WeakPolarHBondContact O-CE2 3.42Å |
| 888 | K | 38 | Very low | 43.1 | Very low | 138 Ų | 138 | 101 Ų | 101 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 112 | 177.7 | -172.1 | 172.5 | -177.9 | 175.3 | 0 | 110.2 | T872 K873 | T872-K888 WeakPolarHBondContact CA-O 3.43Å; K873-K888 PolarHBondContact N-O 2.88Å; K873-K888 PolarHBondContact O-N 3.36Å |
| 889 | R | 39.6 | Very low | 44 | Very low | 141 Ų | 141 | 102.4 Ų | 102.4 | 53% | 0.532 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 115.2 | 177.8 | -166.9 | 163.1 | -174.4 | -177.9 | 2.6 | 111.2 | S870 E871 T872 Y891 | S870-R889 PolarHBondContact OG-NE 2.79Å; S870-R889 VanDerWaalsContact OG-NE 3.13Å; S870-R889 PolarHBondContact OG-NH2 2.9Å; E871-R889 CarbonylContact O-C 3.57Å; E871-R889 WeakPolarHBondContact O-CA 3.18Å; T872-R889 HydrophobicContact CG2-CB 4.19Å; T872-R889 HydrophobicContact CG2-CG 4.47Å; T872-R889 WeakPolarHBondContact OG1-CD 3.31Å; T872-R889 WeakPolarHBondContact OG1-CG 3.43Å; R889-Y891 WeakPolarHBondContact CD-OH 3.34Å; R889-Y891 HydrophobicContact CG-CE1 4.48Å; R889-Y891 HydrophobicContact CG-CE2 4.19Å |
| 890 | T | 39.8 | Very low | 45 | Very low | 59 Ų | 59 | 103.9 Ų | 103.9 | 36% | 0.362 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 124.4 | 179.7 | 39.7 | 0 | 0 | 0 | 0 | 110.8 | E871 | E871-T890 PolarHBondContact N-O 3.06Å; E871-T890 PolarHBondContact O-N 3.47Å; E871-T890 PolarHBondContact O-OG1 3.48Å |
| 891 | Y | 42.7 | Very low | 46.3 | Very low | 144 Ų | 144 | 103.7 Ų | 103.7 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 126.1 | 177.3 | -60.5 | -85.5 | 0 | 0 | 0 | 110.1 | L868 Y869 S870 R889 | L868-Y891 HydrophobicContact CD2-CD1 3.77Å; L868-Y891 HydrophobicContact CD2-CG 4.38Å; Y869-Y891 CarbonylContact O-C 3.59Å; Y869-Y891 VanDerWaalsContact O-CA 3.32Å; Y869-Y891 WeakPolarHBondContact O-CA 3.36Å; S870-Y891 VanDerWaalsContact CB-CD1 3.47Å; S870-Y891 VanDerWaalsContact CB-CE1 3.45Å; R889-Y891 WeakPolarHBondContact CD-OH 3.34Å; R889-Y891 HydrophobicContact CG-CE1 4.48Å; R889-Y891 HydrophobicContact CG-CE2 4.19Å |
| 892 | K | 41.2 | Very low | 47.6 | Very low | 106 Ų | 106 | 103.9 Ų | 103.9 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 138.6 | 175.2 | -65 | -179.5 | -174.5 | 168.4 | 0 | 109.1 | Y869 E871 | Y869-K892 PolarHBondContact N-O 3.28Å; Y869-K892 PolarHBondContact O-N 2.02Å; E871-K892 WeakPolarHBondContact OE1-CD 3.29Å; E871-K892 VanDerWaalsContact OE1-CE 3.28Å; E871-K892 WeakPolarHBondContact OE1-CE 3.32Å; E871-K892 IonicContact OE1-NZ 2.77Å; E871-K892 PolarHBondContact OE1-NZ 3.35Å; E871-K892 VanDerWaalsContact OE2-CE 3.24Å; E871-K892 WeakPolarHBondContact OE2-CE 3.34Å; E871-K892 IonicContact OE2-NZ 2.66Å; E871-K892 PolarHBondContact OE2-NZ 3.25Å |
| 893 | V | 42.4 | Very low | 49.3 | Very low | 99 Ų | 99 | 103.6 Ų | 103.6 | 60% | 0.6 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 125.2 | 178.8 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | T866 L868 | T866-V893 HydrophobicContact CG2-CG1 3.53Å; L868-V893 HydrophobicContact CD1-CG2 4.01Å; L868-V893 HydrophobicContact CG-CG2 4.1Å |
| 894 | Q | 41 | Very low | 50.9 | Low | 115 Ų | 115 | 108.7 Ų | 108.7 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 138.4 | 179 | -170.1 | 174.1 | 4.4 | 0 | 0 | 109.5 | T866 R867 Y869 | T866-Q894 CarbonylContact C-O 3.59Å; T866-Q894 WeakPolarHBondContact CA-O 3.12Å; R867-Q894 PolarHBondContact N-O 2.95Å; R867-Q894 PolarHBondContact O-N 2.8Å; Y869-Q894 HydrophobicContact CD2-CB 4.44Å; Y869-Q894 HydrophobicContact CE2-CB 4.15Å |
| 895 | Q | 46.5 | Very low | 52.1 | Low | 176 Ų | 176 | 108 Ų | 108 | 82% | 0.822 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 134.7 | 170.8 | -73.2 | 169.9 | -33.4 | 0 | 0 | 109.4 | T866 | T866-Q895 HydrophobicContact CG2-CG 3.97Å |
| 896 | D | 51.5 | Low | 53 | Low | 63 Ų | 63 | 108 Ų | 108 | 34% | 0.337 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 163.6 | -172.9 | -162.3 | -6.9 | 0 | 0 | 0 | 108.5 | C865 R867 | C865-D896 PolarHBondContact N-O 3.39Å; C865-D896 PolarHBondContact O-N 2.91Å; R867-D896 HydrophobicContact CB-CB 4.15Å; R867-D896 VanDerWaalsContact CD-OD2 3.28Å; R867-D896 WeakPolarHBondContact CD-OD2 3.06Å; R867-D896 IonicContact NH1-OD2 3.91Å |
| 897 | V | 54.3 | Low | 53.5 | Low | 80 Ų | 80 | 110.7 Ų | 110.7 | 49% | 0.485 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 95 | -177.1 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | P862 | P862-V897 HydrophobicContact CB-CG1 3.49Å; P862-V897 VanDerWaalsContact CB-CG1 3.49Å |
| 898 | C | 57.3 | Low | 53.5 | Low | 61 Ų | 61 | 108.6 Ų | 108.6 | 41% | 0.412 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 171.8 | 168.5 | -67.5 | 0 | 0 | 0 | 0 | 110.4 | P862 H863 C865 | P862-C898 CarbonylContact C-O 3.39Å; P862-C898 WeakPolarHBondContact CA-O 3.22Å; H863-C898 PolarHBondContact N-O 3.49Å; H863-C898 CarbonylContact O-C 3.53Å; H863-C898 WeakPolarHBondContact O-CA 3.4Å; H863-C898 PolarHBondContact O-N 3.08Å; H863-C898 VanDerWaalsContact O-O 3.08Å; C865-C898 HydrophobicContact CB-CB 3.82Å; C865-C898 WeakPolarHBondContact CB-SG 3.1Å; C865-C898 WeakPolarHBondContact SG-CB 3.42Å; C865-C898 PolarHBondContact SG-N 3.38Å; C865-C898 CovalentContact SG-SG 2.04Å; C865-C898 PolarHBondContact SG-SG 3.17Å |
| 899 | Y | 63.3 | Low | 53.5 | Low | 159 Ų | 159 | 111.3 Ų | 111.3 | 62% | 0.624 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131 | 175.1 | -66.6 | -95 | 0 | 0 | 0 | 110.5 | V861 P862 | V861-Y899 WeakPolarHBondContact O-CA 3.24Å; P862-Y899 HydrophobicContact CB-CD1 4.12Å; P862-Y899 HydrophobicContact CB-CE1 3.88Å; P862-Y899 HydrophobicContact CG-CE1 4.49Å |
| 900 | R | 59.8 | Low | 53.2 | Low | 150 Ų | 150 | 110.7 Ų | 110.7 | 57% | 0.566 | 56% | 0.56 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.5 | 173.4 | -166.6 | 179.1 | 78.6 | 171.8 | 5.5 | 109.1 | V861 H863 | V861-R900 PolarHBondContact N-O 2.04Å; V861-R900 PolarHBondContact O-N 2.65Å; H863-R900 HydrophobicContact CB-CB 4.34Å |
| 901 | E | 68.7 | Low | 52.8 | Low | 74 Ų | 74 | 119.8 Ų | 119.8 | 35% | 0.346 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.5 | 130.3 | 175.8 | -143.1 | 162.7 | -90.5 | 0 | 0 | 109.3 | K850 Q859 R860 | K850-E901 IonicContact NZ-OE2 3.55Å; K850-E901 PolarHBondContact NZ-OE2 3.42Å; Q859-E901 CarbonylContact O-C 3.54Å; Q859-E901 WeakPolarHBondContact O-CA 3.32Å; R860-E901 HydrophobicContact CG-CB 4.46Å; R860-E901 HydrophobicContact CG-CG 3.86Å; R860-E901 WeakPolarHBondContact CG-OE1 3.17Å; R860-E901 IonicContact CZ-OE1 2.82Å; R860-E901 IonicContact NE-OE1 3.61Å; R860-E901 PolarHBondContact NE-OE1 3.26Å; R860-E901 IonicContact NH2-OE1 3.64Å; R860-E901 PolarHBondContact NH2-OE1 3.42Å |
| 902 | I | 71.1 | Confident | 52.3 | Low | 62 Ų | 62 | 124.4 Ų | 124.4 | 32% | 0.318 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123 | 131.6 | -179.8 | -55.7 | -178.2 | 0 | 0 | 0 | 107.5 | C858 Q859 V861 | C858-I902 CarbonylContact C-O 3.56Å; C858-I902 VanDerWaalsContact CA-O 3.31Å; C858-I902 WeakPolarHBondContact CA-O 3.45Å; Q859-I902 PolarHBondContact N-O 3.37Å; Q859-I902 PolarHBondContact O-N 2.61Å; V861-I902 HydrophobicContact CB-CD1 4.32Å; V861-I902 HydrophobicContact CG2-CD1 3.93Å; V861-I902 HydrophobicContact CG2-CG1 4.29Å |
| 903 | C | 70.9 | Confident | 51.9 | Low | 55 Ų | 55 | 124.4 Ų | 124.4 | 37% | 0.372 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.5 | -176.4 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | L856 L857 C858 | L856-C903 HydrophobicContact CB-CB 4.36Å; L857-C903 CarbonylContact O-C 3.56Å; L857-C903 VanDerWaalsContact O-CA 3.26Å; L857-C903 WeakPolarHBondContact O-CA 3.46Å; C858-C903 HydrophobicContact CB-CB 4.11Å; C858-C903 WeakPolarHBondContact CB-SG 3.33Å; C858-C903 WeakPolarHBondContact SG-CB 3.42Å; C858-C903 CovalentContact SG-SG 2.04Å; C858-C903 PolarHBondContact SG-SG 2.95Å |
| 904 | E | 74 | Confident | 51.3 | Low | 137 Ų | 137 | 124.9 Ų | 124.9 | 64% | 0.64 | 63% | 0.631 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -127.4 | 143.8 | -179.9 | -64.1 | -169.1 | 177.7 | 0 | 0 | 111.7 | L856 L857 | L856-E904 CarbonylContact C-O 3.52Å; L856-E904 WeakPolarHBondContact CA-O 3.47Å; L857-E904 PolarHBondContact N-O 2.9Å; L857-E904 PolarHBondContact O-N 2.87Å |
| 905 | P | 68.1 | Low | 50.9 | Low | 87 Ų | 87 | 130 Ų | 130 | 57% | 0.565 | 65% | 0.646 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.3 | 133.1 | -179.5 | 29.6 | -34.5 | 0 | 0 | 0 | 112.3 | L856 K907 | L856-P905 HydrophobicContact CD2-CB 3.84Å; P905-K907 PolarHBondContact O-N 3.04Å; P905-K907 VanDerWaalsContact O-N 3.12Å |
| 906 | V | 61 | Low | 50.3 | Low | 72 Ų | 72 | 128 Ų | 128 | 44% | 0.436 | 64% | 0.637 | S | S | . | * | trans | -71.7 | 106 | -180 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | F849 E855 L857 S908 | F849-V906 HydrophobicContact CD1-CG2 4.44Å; F849-V906 HydrophobicContact CE1-CG2 4.01Å; E855-V906 PolarHBondContact O-N 3.44Å; L857-V906 HydrophobicContact CB-CG2 4.11Å; V906-S908 PolarHBondContact O-N 3.43Å | ||
| 907 | K | 50 | Low | 49.5 | Very low | 192 Ų | 192 | 132.9 Ų | 132.9 | 84% | 0.835 | 66% | 0.657 | S | S | * | * | trans | -70 | 116.1 | 177 | -69.4 | -180 | -178.9 | 172.9 | 0 | 110.7 | P905 Q909 | P905-K907 PolarHBondContact O-N 3.04Å; P905-K907 VanDerWaalsContact O-N 3.12Å; K907-Q909 PolarHBondContact O-N 2.97Å | ||
| 908 | S | 41.7 | Very low | 48.5 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | trans | -68.6 | 110.4 | 177.3 | 44.8 | 0 | 0 | 0 | 0 | 111.8 | V906 T910 | V906-S908 PolarHBondContact O-N 3.43Å; S908-T910 PolarHBondContact O-N 2.86Å | ||
| 909 | Q | 38.8 | Very low | 48.1 | Very low | 194 Ų | 194 | 145.5 Ų | 145.5 | 91% | 0.907 | 71% | 0.706 | S | S | * | * | trans | -74.9 | 107.8 | 168.8 | -72.8 | -169.4 | -5.5 | 0 | 0 | 110 | K907 | K907-Q909 PolarHBondContact O-N 2.97Š| ||
| 910 | T | 32.8 | Very low | 47.3 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | trans | -66 | 130.3 | 169.3 | 29.5 | 0 | 0 | 0 | 0 | 110.6 | S908 R912 | S908-T910 PolarHBondContact O-N 2.86Å; T910-R912 PolarHBondContact O-N 2.86Å; T910-R912 VanDerWaalsContact O-N 3.11Å | ||
| 911 | R | 32.8 | Very low | 46.6 | Very low | 251 Ų | 251 | 144.4 Ų | 144.4 | 95% | 0.947 | 72% | 0.718 | S | S | * | * | trans | -57.6 | 115.5 | 167.9 | -82.8 | 179.8 | 166.4 | 178.8 | -4.1 | 109.8 | ||||
| 912 | R | 30.5 | Very low | 45.3 | Very low | 240 Ų | 240 | 148.6 Ų | 148.6 | 91% | 0.906 | 74% | 0.74 | S | S | * | * | trans | -114.6 | 140.8 | 152.1 | -91.6 | -173.1 | 168.9 | -176.2 | -2.7 | 108.8 | T910 | T910-R912 PolarHBondContact O-N 2.86Å; T910-R912 VanDerWaalsContact O-N 3.11Å | ||
| 913 | A | 33.4 | Very low | 43.7 | Very low | 107 Ų | 107 | 154 Ų | 154 | 88% | 0.884 | 77% | 0.766 | S | S | * | * | trans | -107.7 | 121.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 914 | S | 29.8 | Very low | 41.9 | Very low | 108 Ų | 108 | 160.6 Ų | 160.6 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -162.3 | 105.8 | 166.1 | 47.5 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 915 | R | 32.3 | Very low | 39.6 | Very low | 222 Ų | 222 | 162.3 Ų | 162.3 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | 69.4 | 115.9 | 57.4 | -148.7 | -169 | -157.4 | -165.4 | 6.4 | 111.8 | |||||
| 916 | Q | 34.3 | Very low | 37.4 | Very low | 136 Ų | 136 | 168.1 Ų | 168.1 | 64% | 0.636 | 82% | 0.822 | S | S | * | * | trans | 70.7 | 134.6 | 165 | -72.5 | 166.4 | -97.5 | 0 | 0 | 119.2 | ||||
| 917 | Q | 35.4 | Very low | 35.4 | Very low | 164 Ų | 164 | 176.1 Ų | 176.1 | 77% | 0.766 | 85% | 0.854 | S | S | * | * | trans | 46.7 | 136.5 | 133.7 | -63.6 | 157.6 | -57.6 | 0 | 0 | 118.5 | ||||
| 918 | Q | 33.3 | Very low | 34.1 | Very low | 260 Ų | 260 | 174.6 Ų | 174.6 | 100% | 1.215 | 86% | 0.856 | S | S | * | * | cis | -147.5 | 0 | 32.3 | -162.6 | 165.1 | 5.6 | 0 | 0 | 112.6 |
Retrieved 918 of 918 residues in 1512.3 ms
(Link to these results)