| 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 | Q | 26.5 | Very low | 32.5 | Very low | 253 Ų | 253 | 143.7 Ų | 143.7 | 100% | 1.182 | 84% | 0.837 | S | S | * | * | 0 | 110.4 | 0 | -85.1 | 166.6 | -27.2 | 0 | 0 | 107.2 | |||||
| 2 | G | 29.4 | Very low | 33.6 | Very low | 76 Ų | 76 | 143.8 Ų | 143.8 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | trans | -87.4 | 119 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | V4 | G2-V4 PolarHBondContact O-N 2.72Š| ||
| 3 | L | 26.9 | Very low | 35.1 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 81% | 0.806 | 83% | 0.826 | S | S | * | * | trans | -78.4 | 112.6 | 171.9 | -160.3 | 79.5 | 0 | 0 | 0 | 107.6 | ||||
| 4 | V | 32.5 | Very low | 37.3 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -92.1 | 96.7 | 170.9 | 177.1 | 0 | 0 | 0 | 0 | 106.6 | G2 S6 | G2-V4 PolarHBondContact O-N 2.72Å; V4-S6 PolarHBondContact O-N 3.3Å | ||
| 5 | D | 31.3 | Very low | 40 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | -83 | 101.9 | 167.5 | -88 | -23.2 | 0 | 0 | 0 | 108.8 | ||||
| 6 | S | 35.4 | Very low | 42.6 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | -104.2 | 92.8 | 169 | 60.3 | 0 | 0 | 0 | 0 | 109.6 | V4 | V4-S6 PolarHBondContact O-N 3.3Š| ||
| 7 | T | 31.7 | Very low | 45.2 | Very low | 141 Ų | 141 | 141.9 Ų | 141.9 | 87% | 0.865 | 75% | 0.751 | S | S | * | * | trans | -84.6 | 109.9 | 166.5 | 47 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 8 | S | 33.4 | Very low | 47.7 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -99.7 | 114.4 | 176.8 | 59.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 9 | L | 33.5 | Very low | 49.9 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 89% | 0.885 | 73% | 0.734 | S | S | * | * | trans | -126.1 | 131.7 | 158.9 | -97.8 | 153.2 | 0 | 0 | 0 | 106.7 | S11 | L9-S11 PolarHBondContact O-N 3.17Š| ||
| 10 | Q | 37.7 | Very low | 51.9 | Low | 205 Ų | 205 | 136.9 Ų | 136.9 | 96% | 0.958 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -65.4 | 98.7 | -172.8 | -84.4 | -175.8 | -13.6 | 0 | 0 | 112.5 | ||
| 11 | S | 39.3 | Very low | 53.7 | Low | 100 Ų | 100 | 132.6 Ų | 132.6 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 162.5 | 118.3 | 145.5 | 170.2 | 0 | 0 | 0 | 0 | 105.4 | L9 | L9-S11 PolarHBondContact O-N 3.17Š|
| 12 | E | 45.3 | Very low | 56.6 | Low | 144 Ų | 144 | 126.7 Ų | 126.7 | 67% | 0.673 | 67% | 0.673 | S | S | * | * | trans | 85.4 | 92.8 | 174.6 | -60.6 | -172.9 | 160.3 | 0 | 0 | 118 | R14 L40 | E12-R14 PolarHBondContact O-N 2.87Å; E12-L40 HydrophobicContact CB-CD1 3.47Å; E12-L40 VanDerWaalsContact CB-CD1 3.47Å; E12-L40 HydrophobicContact CG-CD1 3.57Å; E12-L40 HydrophobicContact CG-CD2 4.18Å | ||
| 13 | E | 52.8 | Low | 59 | Low | 183 Ų | 183 | 129.5 Ų | 129.5 | 86% | 0.855 | 67% | 0.667 | S | S | * | * | trans | -76 | 109.2 | 170.2 | -104.4 | -175.7 | 156.7 | 0 | 0 | 111.8 | ||||
| 14 | R | 66.9 | Low | 61.2 | Low | 141 Ų | 141 | 126.5 Ų | 126.5 | 53% | 0.532 | 66% | 0.664 | S | S | . | * | trans | -103.3 | 109.1 | 165.8 | -178 | 175.3 | -178.5 | 172.7 | 2 | 108.8 | E12 R16 | E12-R14 PolarHBondContact O-N 2.87Å; R14-R16 HydrophobicContact CG-CG 4.48Å; R14-R16 VanDerWaalsContact CZ-NH2 3.26Å | ||
| 15 | T | 76.9 | Confident | 62.4 | Low | 47 Ų | 47 | 124.7 Ų | 124.7 | 29% | 0.288 | 66% | 0.663 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 129.2 | 178.6 | 50.8 | 0 | 0 | 0 | 0 | 110.9 | R38 | T15-R38 PolarHBondContact N-O 3.25Å; T15-R38 PolarHBondContact O-N 3.41Å |
| 16 | R | 82.6 | Confident | 63.9 | Low | 163 Ų | 163 | 124.9 Ų | 124.9 | 62% | 0.615 | 66% | 0.664 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -128 | 125.2 | 176.4 | -62.2 | -175.8 | -176.7 | 176.4 | 1.9 | 108.5 | R14 I36 T37 | R14-R16 HydrophobicContact CG-CG 4.48Å; R14-R16 VanDerWaalsContact CZ-NH2 3.26Å; R16-I36 CarbonylContact C-O 3.48Å; R16-I36 WeakPolarHBondContact CA-O 3.3Å; R16-T37 HydrophobicContact CG-CG2 4.04Å |
| 17 | Y | 86.8 | Confident | 65.4 | Low | 153 Ų | 153 | 129.7 Ų | 129.7 | 60% | 0.6 | 68% | 0.676 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.1 | 128.1 | 173 | -57.3 | -83.5 | 0 | 0 | 0 | 108.7 | N35 I36 | Y17-N35 CarbonylContact O-C 3.54Å; Y17-N35 WeakPolarHBondContact O-CA 3.3Å; Y17-I36 HydrophobicContact CD2-CB 4.46Å; Y17-I36 HydrophobicContact CD2-CG2 4.42Å; Y17-I36 PolarHBondContact N-O 2.78Å; Y17-I36 PolarHBondContact O-N 3.22Å |
| 18 | H | 90 | Very high | 67.4 | Low | 117 Ų | 117 | 132.9 Ų | 132.9 | 54% | 0.542 | 67% | 0.672 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.1 | 121.9 | 173.7 | 178.9 | 63.1 | 0 | 0 | 0 | 108.8 | E20 N35 | H18-E20 IonicContact NE2-OE2 3.28Å; H18-N35 PolarHBondContact ND1-OD1 2.74Å |
| 19 | L | 89.4 | Confident | 69.8 | Low | 119 Ų | 119 | 129.6 Ų | 129.6 | 62% | 0.623 | 65% | 0.647 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117 | 123.8 | 175.1 | -179.4 | 73.1 | 0 | 0 | 0 | 108.1 | S33 A34 | L19-S33 CarbonylContact O-C 3.56Å; L19-S33 WeakPolarHBondContact O-CA 3.39Å; L19-A34 HydrophobicContact CB-CB 4.43Å; L19-A34 PolarHBondContact N-O 3.48Å; L19-A34 PolarHBondContact O-N 3.28Å |
| 20 | E | 89.9 | Confident | 72.3 | Confident | 89 Ų | 89 | 123.3 Ų | 123.3 | 42% | 0.416 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.6 | 127.8 | 172.7 | -172.1 | 177.4 | 107.3 | 0 | 0 | 109.3 | H18 K22 I31 L32 | H18-E20 IonicContact NE2-OE2 3.28Å; E20-K22 WeakPolarHBondContact OE1-CE 3.39Å; E20-K22 IonicContact OE1-NZ 4Å; E20-K22 PolarHBondContact OE1-NZ 3.11Å; E20-I31 HydrophobicContact CG-CG2 4.06Å; E20-L32 CarbonylContact C-O 3.54Å; E20-L32 WeakPolarHBondContact CA-O 3.36Å |
| 21 | A | 88.9 | Confident | 74.8 | Confident | 48 Ų | 48 | 115 Ų | 115 | 40% | 0.397 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.5 | 130.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109 | L32 | A21-L32 PolarHBondContact N-O 3.25Å; A21-L32 PolarHBondContact O-N 3.28Å |
| 22 | K | 87.6 | Confident | 77.2 | Confident | 129 Ų | 129 | 114 Ų | 114 | 56% | 0.561 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.1 | 177.2 | -69.6 | 177.3 | 168 | 140.2 | 0 | 108.6 | E20 V30 I31 | E20-K22 WeakPolarHBondContact OE1-CE 3.39Å; E20-K22 IonicContact OE1-NZ 4Å; E20-K22 PolarHBondContact OE1-NZ 3.11Å; K22-V30 WeakPolarHBondContact CA-O 3.43Å; K22-I31 HydrophobicContact CG-CG1 4.21Å; K22-I31 HydrophobicContact CG-CG2 4.16Å |
| 23 | M | 81 | Confident | 79.4 | Confident | 134 Ų | 134 | 107.9 Ų | 107.9 | 66% | 0.66 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.6 | 173.1 | -67.3 | -172.9 | -68.5 | 0 | 0 | 108.6 | V30 | M23-V30 HydrophobicContact CE-CG1 4.41Å; M23-V30 PolarHBondContact N-O 3.39Å; M23-V30 PolarHBondContact O-N 3.45Å |
| 24 | A | 71.8 | Confident | 81.3 | Confident | 91 Ų | 91 | 100 Ų | 100 | 75% | 0.752 | 50% | 0.504 | S | S | * | . | trans | -102.1 | 124.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 25 | A | 59.1 | Low | 82.5 | Confident | 90 Ų | 90 | 96.4 Ų | 96.4 | 74% | 0.744 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -113.8 | -38 | 162 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 26 | D | 62.4 | Low | 83.1 | Confident | 142 Ų | 142 | 98.1 Ų | 98.1 | 76% | 0.759 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -155.3 | -165.7 | 175.9 | -66 | -54.1 | 0 | 0 | 0 | 111.3 | R28 | D26-R28 CarbonylContact O-C 3.6Å; D26-R28 PolarHBondContact O-N 3.35Å |
| 27 | Q | 66.7 | Low | 83.4 | Confident | 202 Ų | 202 | 91.8 Ų | 91.8 | 94% | 0.944 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -50.9 | -1.2 | -174.9 | -65.5 | -174.3 | 3.6 | 0 | 0 | 117.5 | ||
| 28 | R | 74.1 | Confident | 83.2 | Confident | 207 Ų | 207 | 92.4 Ų | 92.4 | 78% | 0.781 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -129.7 | 90.4 | 173 | -65.3 | -175 | -178.1 | -166.1 | 0.6 | 110.6 | D26 | D26-R28 CarbonylContact O-C 3.6Å; D26-R28 PolarHBondContact O-N 3.35Å |
| 29 | P | 82.7 | Confident | 82.3 | Confident | 48 Ų | 48 | 87.8 Ų | 87.8 | 31% | 0.312 | 47% | 0.467 | S | S | . | . | trans | -68 | 138.5 | -177.5 | 27 | -33.8 | 0 | 0 | 0 | 111.4 | N52 | P29-N52 WeakPolarHBondContact O-CB 3.35Å; P29-N52 PolarHBondContact O-ND2 2.72Å | ||
| 30 | V | 87.3 | Confident | 81 | Confident | 38 Ų | 38 | 87.3 Ų | 87.3 | 23% | 0.23 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 126.2 | 171 | 172.2 | 0 | 0 | 0 | 0 | 108.4 | K22 M23 L50 V53 | K22-V30 WeakPolarHBondContact CA-O 3.43Å; M23-V30 HydrophobicContact CE-CG1 4.41Å; M23-V30 PolarHBondContact N-O 3.39Å; M23-V30 PolarHBondContact O-N 3.45Å; V30-L50 HydrophobicContact CG1-CD1 3.84Å; V30-V53 HydrophobicContact CB-CG2 4.27Å; V30-V53 HydrophobicContact CG1-CG2 3.45Å; V30-V53 VanDerWaalsContact CG1-CG2 3.45Å; V30-V53 HydrophobicContact CG2-CG2 3.87Å |
| 31 | I | 88.8 | Confident | 79.6 | Confident | 30 Ų | 30 | 85.4 Ų | 85.4 | 15% | 0.154 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 116.9 | -176.6 | -47.2 | -179.7 | 0 | 0 | 0 | 109.1 | E20 K22 L50 K51 | E20-I31 HydrophobicContact CG-CG2 4.06Å; K22-I31 HydrophobicContact CG-CG1 4.21Å; K22-I31 HydrophobicContact CG-CG2 4.16Å; I31-L50 WeakPolarHBondContact O-CA 3.25Å; I31-K51 HydrophobicContact CB-CB 4.26Å; I31-K51 PolarHBondContact N-O 2.88Å; I31-K51 PolarHBondContact O-N 3.01Å |
| 32 | L | 90.4 | Very high | 79 | Confident | 79 Ų | 79 | 90.1 Ų | 90.1 | 41% | 0.414 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 121.8 | 167.5 | 177 | 66.9 | 0 | 0 | 0 | 108.3 | E20 A21 T49 L50 | E20-L32 CarbonylContact C-O 3.54Å; E20-L32 WeakPolarHBondContact CA-O 3.36Å; A21-L32 PolarHBondContact N-O 3.25Å; A21-L32 PolarHBondContact O-N 3.28Å; L32-T49 WeakPolarHBondContact CA-O 3.01Å; L32-L50 HydrophobicContact CB-CD1 4.22Å; L32-L50 HydrophobicContact CD1-CD1 4.36Å |
| 33 | S | 92.2 | Very high | 78.9 | Confident | 15 Ų | 15 | 88.1 Ų | 88.1 | 11% | 0.105 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 139.2 | 172.5 | 57.6 | 0 | 0 | 0 | 0 | 109.6 | L19 A48 T49 | L19-S33 CarbonylContact O-C 3.56Å; L19-S33 WeakPolarHBondContact O-CA 3.39Å; S33-A48 CarbonylContact O-C 3.57Å; S33-A48 WeakPolarHBondContact O-CA 3.15Å; S33-T49 PolarHBondContact N-O 2.94Å; S33-T49 PolarHBondContact O-N 2.79Å; S33-T49 PolarHBondContact OG-OG1 2.85Å |
| 34 | A | 92 | Very high | 79.3 | Confident | 19 Ų | 19 | 84 Ų | 84 | 16% | 0.157 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 129.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L19 S47 A48 | L19-A34 HydrophobicContact CB-CB 4.43Å; L19-A34 PolarHBondContact N-O 3.48Å; L19-A34 PolarHBondContact O-N 3.28Å; A34-S47 CarbonylContact C-O 3.57Å; A34-S47 VanDerWaalsContact CA-O 3.27Å; A34-S47 WeakPolarHBondContact CA-O 2.92Å; A34-A48 HydrophobicContact CB-CB 4.26Å |
| 35 | N | 91.8 | Very high | 80.3 | Confident | 64 Ų | 64 | 81.2 Ų | 81.2 | 34% | 0.342 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.6 | 177.1 | -69.6 | -37.5 | 0 | 0 | 0 | 109 | Y17 H18 L46 S47 | Y17-N35 CarbonylContact O-C 3.54Å; Y17-N35 WeakPolarHBondContact O-CA 3.3Å; H18-N35 PolarHBondContact ND1-OD1 2.74Å; N35-L46 CarbonylContact O-C 3.5Å; N35-L46 WeakPolarHBondContact O-CA 3.45Å; N35-S47 WeakPolarHBondContact CB-OG 3.38Å; N35-S47 PolarHBondContact N-O 3.03Å; N35-S47 PolarHBondContact O-N 3.07Å |
| 36 | I | 90.1 | Very high | 81.9 | Confident | 83 Ų | 83 | 80.2 Ų | 80.2 | 43% | 0.426 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 122.3 | 171.3 | -61.2 | 166.1 | 0 | 0 | 0 | 107 | R16 Y17 S45 L46 | R16-I36 CarbonylContact C-O 3.48Å; R16-I36 WeakPolarHBondContact CA-O 3.3Å; Y17-I36 HydrophobicContact CD2-CB 4.46Å; Y17-I36 HydrophobicContact CD2-CG2 4.42Å; Y17-I36 PolarHBondContact N-O 2.78Å; Y17-I36 PolarHBondContact O-N 3.22Å; I36-S45 CarbonylContact C-O 3.55Å; I36-S45 WeakPolarHBondContact CA-O 3.38Å; I36-L46 HydrophobicContact CD1-CD1 4.15Å; I36-L46 HydrophobicContact CG1-CD1 3.48Å; I36-L46 VanDerWaalsContact CG1-CD1 3.48Å |
| 37 | T | 88 | Confident | 83.4 | Confident | 30 Ų | 30 | 75.3 Ų | 75.3 | 18% | 0.184 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 136 | 173.2 | 85.3 | 0 | 0 | 0 | 0 | 110.3 | R16 S44 S45 | R16-T37 HydrophobicContact CG-CG2 4.04Å; T37-S44 CarbonylContact O-C 3.44Å; T37-S44 WeakPolarHBondContact O-CA 3.46Å; T37-S45 PolarHBondContact N-O 3.05Å; T37-S45 PolarHBondContact O-N 3Å; T37-S45 PolarHBondContact OG1-OG 2.84Å |
| 38 | R | 82.9 | Confident | 84.7 | Confident | 167 Ų | 167 | 66.7 Ų | 66.7 | 63% | 0.63 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 113.6 | 173 | -171.8 | 177.6 | -178.9 | 178.2 | -1.1 | 107.6 | T15 K43 | T15-R38 PolarHBondContact N-O 3.25Å; T15-R38 PolarHBondContact O-N 3.41Å; R38-K43 WeakPolarHBondContact CA-O 3.25Å |
| 39 | G | 71.1 | Confident | 85.6 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 21% | 0.206 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 171 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K43 | G39-K43 PolarHBondContact N-O 2.8Å |
| 40 | L | 61.9 | Low | 86.1 | Confident | 109 Ų | 109 | 58.6 Ų | 58.6 | 57% | 0.571 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 141.2 | 169.8 | -88.9 | 111.2 | 0 | 0 | 0 | 111.1 | E12 | E12-L40 HydrophobicContact CB-CD1 3.47Å; E12-L40 VanDerWaalsContact CB-CD1 3.47Å; E12-L40 HydrophobicContact CG-CD1 3.57Å; E12-L40 HydrophobicContact CG-CD2 4.18Å |
| 41 | G | 60.8 | Low | 86.2 | Confident | 49 Ų | 49 | 61.2 Ų | 61.2 | 51% | 0.505 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | 20.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K43 | G41-K43 PolarHBondContact O-N 2.92Å; G41-K43 VanDerWaalsContact O-N 3.13Å |
| 42 | R | 75.4 | Confident | 86.1 | Confident | 147 Ų | 147 | 63.8 Ų | 63.8 | 56% | 0.555 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 34.7 | -177.2 | -60.7 | 178 | 175.9 | 161.9 | -1.1 | 111.9 | R66 | R42-R66 HydrophobicContact CB-CB 4.12Š|
| 43 | K | 86.4 | Confident | 85.8 | Confident | 87 Ų | 87 | 63.5 Ų | 63.5 | 38% | 0.378 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 122.4 | 176.1 | -175.9 | 169.9 | -172.1 | 148.9 | 0 | 109.6 | R38 G39 G41 L64 E65 | R38-K43 WeakPolarHBondContact CA-O 3.25Å; G39-K43 PolarHBondContact N-O 2.8Å; G41-K43 PolarHBondContact O-N 2.92Å; G41-K43 VanDerWaalsContact O-N 3.13Å; K43-L64 CarbonylContact C-O 3.59Å; K43-L64 VanDerWaalsContact CA-O 3.26Å; K43-L64 WeakPolarHBondContact CA-O 3.14Å; K43-E65 HydrophobicContact CB-CB 4.33Å; K43-E65 HydrophobicContact CB-CG 4.24Å; K43-E65 HydrophobicContact CD-CB 4.36Å; K43-E65 HydrophobicContact CD-CG 4.29Å; K43-E65 WeakPolarHBondContact CD-OE2 3.35Å; K43-E65 WeakPolarHBondContact CE-OE2 3.25Å; K43-E65 HydrophobicContact CG-CB 4.08Å; K43-E65 HydrophobicContact CG-CG 4.32Å; K43-E65 IonicContact NZ-OE2 3.68Å; K43-E65 PolarHBondContact NZ-OE2 2.92Å |
| 44 | S | 89.8 | Confident | 85.4 | Confident | 47 Ų | 47 | 66.1 Ų | 66.1 | 33% | 0.329 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.5 | 177.4 | -62.5 | 0 | 0 | 0 | 0 | 108.7 | T37 A63 L64 | T37-S44 CarbonylContact O-C 3.44Å; T37-S44 WeakPolarHBondContact O-CA 3.46Å; S44-A63 CarbonylContact O-C 3.55Å; S44-A63 WeakPolarHBondContact O-CA 3.38Å; S44-L64 PolarHBondContact N-O 3.07Å; S44-L64 PolarHBondContact O-N 3.5Å |
| 45 | S | 91.8 | Very high | 84.9 | Confident | 33 Ų | 33 | 77.7 Ų | 77.7 | 23% | 0.231 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.3 | 175.2 | 72.6 | 0 | 0 | 0 | 0 | 111.3 | I36 T37 V62 | I36-S45 CarbonylContact C-O 3.55Å; I36-S45 WeakPolarHBondContact CA-O 3.38Å; T37-S45 PolarHBondContact N-O 3.05Å; T37-S45 PolarHBondContact O-N 3Å; T37-S45 PolarHBondContact OG1-OG 2.84Å; S45-V62 CarbonylContact C-O 3.55Å; S45-V62 WeakPolarHBondContact CA-O 3.47Å |
| 46 | L | 92.6 | Very high | 84.7 | Confident | 68 Ų | 68 | 78 Ų | 78 | 36% | 0.356 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.7 | 169.8 | 170.6 | 71.3 | 0 | 0 | 0 | 107.2 | N35 I36 S61 V62 | N35-L46 CarbonylContact O-C 3.5Å; N35-L46 WeakPolarHBondContact O-CA 3.45Å; I36-L46 HydrophobicContact CD1-CD1 4.15Å; I36-L46 HydrophobicContact CG1-CD1 3.48Å; I36-L46 VanDerWaalsContact CG1-CD1 3.48Å; L46-S61 CarbonylContact O-C 3.55Å; L46-S61 WeakPolarHBondContact O-CA 3.33Å; L46-V62 PolarHBondContact N-O 3.16Å; L46-V62 PolarHBondContact O-N 2.84Å |
| 47 | S | 93.8 | Very high | 84.7 | Confident | 40 Ų | 40 | 76.9 Ų | 76.9 | 28% | 0.28 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 132.6 | 166.3 | 55.5 | 0 | 0 | 0 | 0 | 109.2 | A34 N35 L60 | A34-S47 CarbonylContact C-O 3.57Å; A34-S47 VanDerWaalsContact CA-O 3.27Å; A34-S47 WeakPolarHBondContact CA-O 2.92Å; N35-S47 WeakPolarHBondContact CB-OG 3.38Å; N35-S47 PolarHBondContact N-O 3.03Å; N35-S47 PolarHBondContact O-N 3.07Å; S47-L60 CarbonylContact C-O 3.58Å; S47-L60 WeakPolarHBondContact CA-O 3.37Å |
| 48 | A | 94.4 | Very high | 84.9 | Confident | 20 Ų | 20 | 75.7 Ų | 75.7 | 17% | 0.165 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 137.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | S33 A34 S59 L60 | S33-A48 CarbonylContact O-C 3.57Å; S33-A48 WeakPolarHBondContact O-CA 3.15Å; A34-A48 HydrophobicContact CB-CB 4.26Å; A48-S59 CarbonylContact O-C 3.55Å; A48-S59 WeakPolarHBondContact O-CA 3.25Å; A48-L60 HydrophobicContact CB-CB 4.49Å; A48-L60 PolarHBondContact N-O 3.19Å; A48-L60 PolarHBondContact O-N 2.99Å |
| 49 | T | 93.8 | Very high | 85.5 | Confident | 39 Ų | 39 | 69.9 Ų | 69.9 | 24% | 0.239 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 143.1 | 174.5 | 73.6 | 0 | 0 | 0 | 0 | 110.9 | L32 S33 T57 A58 | L32-T49 WeakPolarHBondContact CA-O 3.01Å; S33-T49 PolarHBondContact N-O 2.94Å; S33-T49 PolarHBondContact O-N 2.79Å; S33-T49 PolarHBondContact OG-OG1 2.85Å; T49-T57 HydrophobicContact CG2-CG2 4.48Å; T49-A58 CarbonylContact C-O 3.47Å; T49-A58 VanDerWaalsContact CA-O 3.25Å; T49-A58 WeakPolarHBondContact CA-O 3.19Å |
| 50 | L | 91.8 | Very high | 86.6 | Confident | 47 Ų | 47 | 72.2 Ų | 72.2 | 25% | 0.246 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 113.6 | 179.2 | -178.5 | 67.1 | 0 | 0 | 0 | 108.9 | V30 I31 L32 V53 F54 A58 | V30-L50 HydrophobicContact CG1-CD1 3.84Å; I31-L50 WeakPolarHBondContact O-CA 3.25Å; L32-L50 HydrophobicContact CB-CD1 4.22Å; L32-L50 HydrophobicContact CD1-CD1 4.36Å; L50-V53 HydrophobicContact CD1-CG2 3.85Å; L50-V53 HydrophobicContact CD2-CB 4.11Å; L50-V53 HydrophobicContact CD2-CG1 4.36Å; L50-V53 HydrophobicContact CD2-CG2 3.87Å; L50-V53 HydrophobicContact CG-CB 4.18Å; L50-V53 HydrophobicContact CG-CG2 3.72Å; L50-F54 HydrophobicContact CD2-CE2 4.24Å; L50-A58 HydrophobicContact CB-CB 4.23Å; L50-A58 PolarHBondContact N-O 2.81Å; L50-A58 PolarHBondContact O-N 2.72Å |
| 51 | K | 90.1 | Very high | 88.2 | Confident | 93 Ų | 93 | 68.6 Ų | 68.6 | 40% | 0.404 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 154.7 | -178.1 | -60 | -178.7 | 177.2 | 177.9 | 0 | 111 | I31 V53 T57 | I31-K51 HydrophobicContact CB-CB 4.26Å; I31-K51 PolarHBondContact N-O 2.88Å; I31-K51 PolarHBondContact O-N 3.01Å; K51-V53 PolarHBondContact O-N 2.89Å; K51-T57 HydrophobicContact CG-CG2 3.79Å |
| 52 | N | 86.3 | Confident | 89.8 | Confident | 84 Ų | 84 | 68 Ų | 68 | 45% | 0.449 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 63.2 | 15.6 | 175.6 | -57.4 | -28.4 | 0 | 0 | 0 | 115.8 | P29 | P29-N52 WeakPolarHBondContact O-CB 3.35Å; P29-N52 PolarHBondContact O-ND2 2.72Å |
| 53 | V | 83.8 | Confident | 90.7 | Very high | 72 Ų | 72 | 62 Ų | 62 | 44% | 0.436 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -99.4 | -39.3 | 169.5 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | V30 L50 K51 | V30-V53 HydrophobicContact CB-CG2 4.27Å; V30-V53 HydrophobicContact CG1-CG2 3.45Å; V30-V53 VanDerWaalsContact CG1-CG2 3.45Å; V30-V53 HydrophobicContact CG2-CG2 3.87Å; L50-V53 HydrophobicContact CD1-CG2 3.85Å; L50-V53 HydrophobicContact CD2-CB 4.11Å; L50-V53 HydrophobicContact CD2-CG1 4.36Å; L50-V53 HydrophobicContact CD2-CG2 3.87Å; L50-V53 HydrophobicContact CG-CB 4.18Å; L50-V53 HydrophobicContact CG-CG2 3.72Å; K51-V53 PolarHBondContact O-N 2.89Å |
| 54 | F | 83.8 | Confident | 91 | Very high | 71 Ų | 71 | 62.1 Ų | 62.1 | 31% | 0.311 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -113.5 | 170.3 | 177.8 | -55.3 | -80.8 | 0 | 0 | 0 | 110.6 | L50 E56 A58 P86 | L50-F54 HydrophobicContact CD2-CE2 4.24Å; F54-E56 CarbonylContact C-O 3.6Å; F54-E56 WeakPolarHBondContact CB-O 3.47Å; F54-E56 PolarHBondContact O-N 2.66Å; F54-A58 HydrophobicContact CD2-CB 3.82Å; F54-A58 HydrophobicContact CE2-CB 3.94Å; F54-P86 HydrophobicContact CB-CB 3.98Å; F54-P86 HydrophobicContact CB-CG 3.86Å; F54-P86 HydrophobicContact CG-CB 4.5Å; F54-P86 HydrophobicContact CG-CG 4.3Å |
| 55 | R | 82.9 | Confident | 91.1 | Very high | 261 Ų | 261 | 61.4 Ų | 61.4 | 99% | 0.985 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -58.1 | -30.3 | 173.9 | -76.4 | -173.4 | 175.3 | -172.9 | -1 | 112.8 | ||
| 56 | E | 87.1 | Confident | 90.9 | Very high | 71 Ų | 71 | 64.1 Ų | 64.1 | 33% | 0.332 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -122 | 171.2 | 175.7 | -57 | -174.7 | 177.5 | 0 | 0 | 110.1 | F54 A58 F84 P86 R119 | F54-E56 CarbonylContact C-O 3.6Å; F54-E56 WeakPolarHBondContact CB-O 3.47Å; F54-E56 PolarHBondContact O-N 2.66Å; E56-A58 PolarHBondContact O-N 2.93Å; E56-F84 HydrophobicContact CB-CE1 4.41Å; E56-F84 WeakPolarHBondContact OE2-CZ 3.47Å; E56-P86 HydrophobicContact CB-CB 4.01Å; E56-P86 HydrophobicContact CB-CG 3.78Å; E56-R119 IonicContact OE1-CZ 3.34Å; E56-R119 IonicContact OE1-NE 3.41Å; E56-R119 PolarHBondContact OE1-NE 2.81Å; E56-R119 IonicContact OE1-NH2 3.11Å; E56-R119 PolarHBondContact OE1-NH2 3.27Å; E56-R119 VanDerWaalsContact OE1-NH2 3.11Å; E56-R119 IonicContact OE2-CZ 3.18Å; E56-R119 IonicContact OE2-NE 2.87Å; E56-R119 PolarHBondContact OE2-NE 2.95Å; E56-R119 IonicContact OE2-NH2 2.74Å; E56-R119 PolarHBondContact OE2-NH2 3.14Å |
| 57 | T | 90.3 | Very high | 90.6 | Very high | 60 Ų | 60 | 67.2 Ų | 67.2 | 37% | 0.368 | 33% | 0.334 | S | S | . | . | trans | -75 | 127 | 176.4 | -60.3 | 0 | 0 | 0 | 0 | 109.8 | T49 K51 F84 | T49-T57 HydrophobicContact CG2-CG2 4.48Å; K51-T57 HydrophobicContact CG-CG2 3.79Å; T57-F84 WeakPolarHBondContact O-CD1 3.42Å | ||
| 58 | A | 92.7 | Very high | 90 | Very high | 5 Ų | 5 | 70.1 Ų | 70.1 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 139.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | T49 L50 F54 E56 F84 L85 | T49-A58 CarbonylContact C-O 3.47Å; T49-A58 VanDerWaalsContact CA-O 3.25Å; T49-A58 WeakPolarHBondContact CA-O 3.19Å; L50-A58 HydrophobicContact CB-CB 4.23Å; L50-A58 PolarHBondContact N-O 2.81Å; L50-A58 PolarHBondContact O-N 2.72Å; F54-A58 HydrophobicContact CD2-CB 3.82Å; F54-A58 HydrophobicContact CE2-CB 3.94Å; E56-A58 PolarHBondContact O-N 2.93Å; A58-F84 CarbonylContact C-O 3.59Å; A58-F84 VanDerWaalsContact CA-O 3.25Å; A58-F84 WeakPolarHBondContact CA-O 3.43Å; A58-L85 HydrophobicContact CB-CD2 3.97Å |
| 59 | S | 93.9 | Very high | 89.2 | Confident | 44 Ų | 44 | 73.6 Ų | 73.6 | 31% | 0.308 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 140.7 | -177.2 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | A48 L83 F84 | A48-S59 CarbonylContact O-C 3.55Å; A48-S59 WeakPolarHBondContact O-CA 3.25Å; S59-L83 CarbonylContact O-C 3.34Å; S59-L83 WeakPolarHBondContact O-CA 3.34Å; S59-F84 PolarHBondContact N-O 3.14Å; S59-F84 PolarHBondContact O-N 2.81Å |
| 60 | L | 94.9 | Very high | 87.9 | Confident | 69 Ų | 69 | 79.8 Ų | 79.8 | 36% | 0.361 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126.5 | 168.1 | 171.9 | 65.3 | 0 | 0 | 0 | 107.3 | S47 A48 V62 E82 L83 | S47-L60 CarbonylContact C-O 3.58Å; S47-L60 WeakPolarHBondContact CA-O 3.37Å; A48-L60 HydrophobicContact CB-CB 4.49Å; A48-L60 PolarHBondContact N-O 3.19Å; A48-L60 PolarHBondContact O-N 2.99Å; L60-V62 HydrophobicContact CD1-CG2 4.07Å; L60-V62 HydrophobicContact CG-CG2 4.42Å; L60-E82 CarbonylContact C-O 3.47Å; L60-E82 VanDerWaalsContact CA-O 3.31Å; L60-E82 WeakPolarHBondContact CA-O 3.44Å; L60-L83 HydrophobicContact CB-CD1 4.47Å; L60-L83 HydrophobicContact CD1-CD1 4.31Å |
| 61 | S | 95.1 | Very high | 86.7 | Confident | 34 Ų | 34 | 83.3 Ų | 83.3 | 24% | 0.238 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139.6 | 169.8 | 74.3 | 0 | 0 | 0 | 0 | 108.6 | L46 A81 E82 | L46-S61 CarbonylContact O-C 3.55Å; L46-S61 WeakPolarHBondContact O-CA 3.33Å; S61-A81 CarbonylContact O-C 3.5Å; S61-A81 WeakPolarHBondContact O-CA 3.42Å; S61-E82 PolarHBondContact N-O 2.81Å; S61-E82 PolarHBondContact O-N 3.26Å; S61-E82 VanDerWaalsContact OG-CB 3.29Å; S61-E82 WeakPolarHBondContact OG-CB 3.33Å; S61-E82 PolarHBondContact OG-N 3.34Å |
| 62 | V | 95.5 | Very high | 85.6 | Confident | 36 Ų | 36 | 81 Ų | 81 | 22% | 0.218 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 126.3 | 175.1 | -176.3 | 0 | 0 | 0 | 0 | 107.3 | S45 L46 L60 L64 E80 A81 | S45-V62 CarbonylContact C-O 3.55Å; S45-V62 WeakPolarHBondContact CA-O 3.47Å; L46-V62 PolarHBondContact N-O 3.16Å; L46-V62 PolarHBondContact O-N 2.84Å; L60-V62 HydrophobicContact CD1-CG2 4.07Å; L60-V62 HydrophobicContact CG-CG2 4.42Å; V62-L64 HydrophobicContact CG1-CD1 3.9Å; V62-E80 CarbonylContact C-O 3.47Å; V62-E80 VanDerWaalsContact CA-O 3.28Å; V62-E80 WeakPolarHBondContact CA-O 3.31Å; V62-A81 HydrophobicContact CG1-CB 4.48Å; V62-A81 HydrophobicContact CG2-CB 4.09Å |
| 63 | A | 93.4 | Very high | 84.9 | Confident | 22 Ų | 22 | 81.7 Ų | 81.7 | 18% | 0.182 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 124 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | S44 V79 E80 | S44-A63 CarbonylContact O-C 3.55Å; S44-A63 WeakPolarHBondContact O-CA 3.38Å; A63-V79 CarbonylContact O-C 3.53Å; A63-V79 WeakPolarHBondContact O-CA 3.47Å; A63-E80 HydrophobicContact CB-CB 4.48Å; A63-E80 PolarHBondContact N-O 3.34Å; A63-E80 PolarHBondContact O-N 2.94Å |
| 64 | L | 92.8 | Very high | 85 | Confident | 88 Ų | 88 | 78.8 Ų | 78.8 | 46% | 0.461 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 133.6 | 171.2 | -66.2 | 107.1 | 0 | 0 | 0 | 108.9 | K43 S44 V62 S78 V79 | K43-L64 CarbonylContact C-O 3.59Å; K43-L64 VanDerWaalsContact CA-O 3.26Å; K43-L64 WeakPolarHBondContact CA-O 3.14Å; S44-L64 PolarHBondContact N-O 3.07Å; S44-L64 PolarHBondContact O-N 3.5Å; V62-L64 HydrophobicContact CG1-CD1 3.9Å; L64-S78 WeakPolarHBondContact CA-O 3.39Å; L64-V79 HydrophobicContact CD2-CG2 3.75Å; L64-V79 HydrophobicContact CG-CG2 4.08Å |
| 65 | E | 91.6 | Very high | 85.2 | Confident | 33 Ų | 33 | 76.7 Ų | 76.7 | 15% | 0.154 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 128.9 | 179.2 | 178.7 | 174.2 | 171.8 | 0 | 0 | 110.1 | K43 R67 Y77 S78 | K43-E65 HydrophobicContact CB-CB 4.33Å; K43-E65 HydrophobicContact CB-CG 4.24Å; K43-E65 HydrophobicContact CD-CB 4.36Å; K43-E65 HydrophobicContact CD-CG 4.29Å; K43-E65 WeakPolarHBondContact CD-OE2 3.35Å; K43-E65 WeakPolarHBondContact CE-OE2 3.25Å; K43-E65 HydrophobicContact CG-CB 4.08Å; K43-E65 HydrophobicContact CG-CG 4.32Å; K43-E65 IonicContact NZ-OE2 3.68Å; K43-E65 PolarHBondContact NZ-OE2 2.92Å; E65-R67 HydrophobicContact CG-CG 4.28Å; E65-R67 IonicContact OE1-CZ 3.14Å; E65-R67 IonicContact OE1-NE 3.54Å; E65-R67 PolarHBondContact OE1-NE 2.83Å; E65-R67 IonicContact OE1-NH2 3.42Å; E65-R67 PolarHBondContact OE1-NH2 2.76Å; E65-R67 IonicContact OE2-NH2 3.51Å; E65-Y77 CarbonylContact O-C 3.5Å; E65-Y77 WeakPolarHBondContact O-CA 3.12Å; E65-S78 WeakPolarHBondContact CB-OG 3.21Å; E65-S78 PolarHBondContact N-O 3.06Å; E65-S78 PolarHBondContact O-N 3.38Å; E65-S78 PolarHBondContact O-OG 3.04Å |
| 66 | R | 88.2 | Confident | 85.6 | Confident | 90 Ų | 90 | 66.7 Ų | 66.7 | 34% | 0.34 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 108.7 | 177.7 | 178.2 | -176.2 | 179 | 170 | 0.3 | 109.7 | R42 Q76 Y77 | R42-R66 HydrophobicContact CB-CB 4.12Å; R66-Q76 CarbonylContact C-O 3.44Å; R66-Q76 WeakPolarHBondContact CA-O 3.5Å; R66-Y77 HydrophobicContact CB-CD1 4.11Å; R66-Y77 HydrophobicContact CB-CE1 4.26Å; R66-Y77 VanDerWaalsContact CD-CE1 3.41Å; R66-Y77 HydrophobicContact CG-CD1 3.83Å; R66-Y77 HydrophobicContact CG-CE1 3.56Å; R66-Y77 PolarHBondContact NE-OH 3.42Å; R66-Y77 PolarHBondContact NH2-OH 2.72Å |
| 67 | R | 86.4 | Confident | 85.8 | Confident | 133 Ų | 133 | 67 Ų | 67 | 50% | 0.502 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 140.5 | 173.4 | -59.7 | -177.2 | -178.5 | 175.7 | 2 | 110.4 | E65 Q76 | E65-R67 HydrophobicContact CG-CG 4.28Å; E65-R67 IonicContact OE1-CZ 3.14Å; E65-R67 IonicContact OE1-NE 3.54Å; E65-R67 PolarHBondContact OE1-NE 2.83Å; E65-R67 IonicContact OE1-NH2 3.42Å; E65-R67 PolarHBondContact OE1-NH2 2.76Å; E65-R67 IonicContact OE2-NH2 3.51Å; R67-Q76 HydrophobicContact CB-CB 4.3Å; R67-Q76 PolarHBondContact N-O 2.82Å; R67-Q76 PolarHBondContact O-N 2.66Å |
| 68 | Q | 81.1 | Confident | 86 | Confident | 101 Ų | 101 | 65.6 Ų | 65.6 | 47% | 0.472 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 113.6 | 178.2 | -173 | 169 | 5.1 | 0 | 0 | 108.2 | ||
| 69 | D | 77.3 | Confident | 86.1 | Confident | 92 Ų | 92 | 67.4 Ų | 67.4 | 49% | 0.492 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 112.6 | 176.8 | -71.8 | -29.3 | 0 | 0 | 0 | 109 | S71 S72 S73 S74 | D69-S71 VanDerWaalsContact C-N 3.27Å; D69-S71 PolarHBondContact O-N 2.88Å; D69-S72 WeakPolarHBondContact CB-OG 3.38Å; D69-S73 PolarHBondContact O-N 2.9Å; D69-S74 PolarHBondContact N-O 2.76Å; D69-S74 PolarHBondContact O-N 2.79Å |
| 70 | L | 66.6 | Low | 86.2 | Confident | 169 Ų | 169 | 68.7 Ų | 68.7 | 89% | 0.885 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -25.3 | -178.2 | -75.4 | 142.5 | 0 | 0 | 0 | 112.6 | ||
| 71 | S | 66.9 | Low | 86.2 | Confident | 121 Ų | 121 | 66.2 Ų | 66.2 | 85% | 0.846 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -29.7 | -178.8 | 56 | 0 | 0 | 0 | 0 | 114.1 | D69 | D69-S71 VanDerWaalsContact C-N 3.27Å; D69-S71 PolarHBondContact O-N 2.88Å |
| 72 | S | 66.1 | Low | 86.2 | Confident | 46 Ų | 46 | 68 Ų | 68 | 32% | 0.322 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 1.9 | -174.1 | 53 | 0 | 0 | 0 | 0 | 113.7 | D69 S74 | D69-S72 WeakPolarHBondContact CB-OG 3.38Å; S72-S74 PolarHBondContact O-N 2.8Å; S72-S74 VanDerWaalsContact O-N 3.16Å; S72-S74 PolarHBondContact OG-OG 2.82Å |
| 73 | S | 72.6 | Confident | 86.2 | Confident | 97 Ų | 97 | 69.3 Ų | 69.3 | 68% | 0.678 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 31.4 | -173.5 | 66.8 | 0 | 0 | 0 | 0 | 113.3 | D69 | D69-S73 PolarHBondContact O-N 2.9Š|
| 74 | S | 84.9 | Confident | 86.2 | Confident | 12 Ų | 12 | 70 Ų | 70 | 8% | 0.084 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 135.6 | 178.9 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | D69 S72 Q99 | D69-S74 PolarHBondContact N-O 2.76Å; D69-S74 PolarHBondContact O-N 2.79Å; S72-S74 PolarHBondContact O-N 2.8Å; S72-S74 VanDerWaalsContact O-N 3.16Å; S72-S74 PolarHBondContact OG-OG 2.82Å; S74-Q99 CarbonylContact C-O 3.59Å; S74-Q99 WeakPolarHBondContact CA-O 3.46Å |
| 75 | S | 88.6 | Confident | 86.2 | Confident | 26 Ų | 26 | 68.2 Ų | 68.2 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128.6 | 170.8 | 69.2 | 0 | 0 | 0 | 0 | 109.8 | Q99 | S75-Q99 PolarHBondContact N-O 3.26Å; S75-Q99 PolarHBondContact O-N 3.31Å |
| 76 | Q | 91.6 | Very high | 86.1 | Confident | 52 Ų | 52 | 67.4 Ų | 67.4 | 24% | 0.243 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 132 | -179.9 | -174.9 | -178.3 | 50.7 | 0 | 0 | 109.2 | R66 R67 L96 M97 | R66-Q76 CarbonylContact C-O 3.44Å; R66-Q76 WeakPolarHBondContact CA-O 3.5Å; R67-Q76 HydrophobicContact CB-CB 4.3Å; R67-Q76 PolarHBondContact N-O 2.82Å; R67-Q76 PolarHBondContact O-N 2.66Å; Q76-L96 HydrophobicContact CG-CD1 3.67Å; Q76-M97 CarbonylContact C-O 3.54Å; Q76-M97 WeakPolarHBondContact CA-O 3.5Å |
| 77 | Y | 92.3 | Very high | 85.9 | Confident | 76 Ų | 76 | 65.5 Ų | 65.5 | 30% | 0.298 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 126.1 | 175.9 | -59 | -98 | 0 | 0 | 0 | 107.4 | E65 R66 L96 M97 | E65-Y77 CarbonylContact O-C 3.5Å; E65-Y77 WeakPolarHBondContact O-CA 3.12Å; R66-Y77 HydrophobicContact CB-CD1 4.11Å; R66-Y77 HydrophobicContact CB-CE1 4.26Å; R66-Y77 VanDerWaalsContact CD-CE1 3.41Å; R66-Y77 HydrophobicContact CG-CD1 3.83Å; R66-Y77 HydrophobicContact CG-CE1 3.56Å; R66-Y77 PolarHBondContact NE-OH 3.42Å; R66-Y77 PolarHBondContact NH2-OH 2.72Å; Y77-L96 CarbonylContact O-C 3.47Å; Y77-L96 WeakPolarHBondContact O-CA 3.38Å; Y77-M97 HydrophobicContact CD2-CE 3.57Å; Y77-M97 HydrophobicContact CE2-CE 4.03Å; Y77-M97 HydrophobicContact CG-CE 4.05Å; Y77-M97 PolarHBondContact N-O 3.42Å; Y77-M97 PolarHBondContact O-N 3.44Å |
| 78 | S | 93.4 | Very high | 86 | Confident | 32 Ų | 32 | 64 Ų | 64 | 22% | 0.224 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 142 | 175 | 57.6 | 0 | 0 | 0 | 0 | 110.2 | L64 E65 G95 | L64-S78 WeakPolarHBondContact CA-O 3.39Å; E65-S78 WeakPolarHBondContact CB-OG 3.21Å; E65-S78 PolarHBondContact N-O 3.06Å; E65-S78 PolarHBondContact O-N 3.38Å; E65-S78 PolarHBondContact O-OG 3.04Å; S78-G95 CarbonylContact C-O 3.46Å; S78-G95 VanDerWaalsContact CA-O 3.26Å; S78-G95 WeakPolarHBondContact CA-O 3.22Å |
| 79 | V | 94.7 | Very high | 86.5 | Confident | 43 Ų | 43 | 60.9 Ų | 60.9 | 26% | 0.261 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 123.3 | 176.4 | 178.7 | 0 | 0 | 0 | 0 | 107.3 | A63 L64 M93 L94 G95 | A63-V79 CarbonylContact O-C 3.53Å; A63-V79 WeakPolarHBondContact O-CA 3.47Å; L64-V79 HydrophobicContact CD2-CG2 3.75Å; L64-V79 HydrophobicContact CG-CG2 4.08Å; V79-M93 HydrophobicContact CG1-CE 4.07Å; V79-L94 CarbonylContact O-C 3.53Å; V79-L94 WeakPolarHBondContact O-CA 3.27Å; V79-G95 PolarHBondContact N-O 3.37Å; V79-G95 PolarHBondContact O-N 2.83Å |
| 80 | E | 96 | Very high | 87.3 | Confident | 70 Ų | 70 | 56.6 Ų | 56.6 | 33% | 0.327 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 130 | 169.9 | 175.8 | 163.6 | -145.3 | 0 | 0 | 107.5 | V62 A63 R92 M93 L94 | V62-E80 CarbonylContact C-O 3.47Å; V62-E80 VanDerWaalsContact CA-O 3.28Å; V62-E80 WeakPolarHBondContact CA-O 3.31Å; A63-E80 HydrophobicContact CB-CB 4.48Å; A63-E80 PolarHBondContact N-O 3.34Å; A63-E80 PolarHBondContact O-N 2.94Å; E80-R92 IonicContact OE1-CZ 3.87Å; E80-R92 IonicContact OE1-NE 3.65Å; E80-R92 IonicContact OE1-NH2 3.42Å; E80-R92 PolarHBondContact OE1-NH2 2.8Å; E80-M93 CarbonylContact C-O 3.58Å; E80-M93 WeakPolarHBondContact CA-O 3.34Å; E80-L94 HydrophobicContact CB-CD2 3.87Å; E80-L94 HydrophobicContact CG-CD2 3.6Å |
| 81 | A | 95.6 | Very high | 88.6 | Confident | 17 Ų | 17 | 50 Ų | 50 | 14% | 0.14 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 131.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | S61 V62 R92 M93 | S61-A81 CarbonylContact O-C 3.5Å; S61-A81 WeakPolarHBondContact O-CA 3.42Å; V62-A81 HydrophobicContact CG1-CB 4.48Å; V62-A81 HydrophobicContact CG2-CB 4.09Å; A81-R92 CarbonylContact O-C 3.52Å; A81-R92 WeakPolarHBondContact O-CA 3.4Å; A81-M93 HydrophobicContact CB-CB 4.34Å; A81-M93 HydrophobicContact CB-CE 4.12Å; A81-M93 PolarHBondContact N-O 2.85Å; A81-M93 PolarHBondContact O-N 2.73Å |
| 82 | E | 95.6 | Very high | 90 | Very high | 73 Ų | 73 | 48.9 Ų | 48.9 | 34% | 0.341 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.7 | 174.8 | -50.6 | -179 | 144.1 | 0 | 0 | 109 | L60 S61 S91 R92 | L60-E82 CarbonylContact C-O 3.47Å; L60-E82 VanDerWaalsContact CA-O 3.31Å; L60-E82 WeakPolarHBondContact CA-O 3.44Å; S61-E82 PolarHBondContact N-O 2.81Å; S61-E82 PolarHBondContact O-N 3.26Å; S61-E82 VanDerWaalsContact OG-CB 3.29Å; S61-E82 WeakPolarHBondContact OG-CB 3.33Å; S61-E82 PolarHBondContact OG-N 3.34Å; E82-S91 CarbonylContact C-O 3.49Å; E82-S91 WeakPolarHBondContact CA-O 3.31Å; E82-R92 HydrophobicContact CG-CB 4.42Å; E82-R92 HydrophobicContact CG-CG 4.04Å; E82-R92 WeakPolarHBondContact OE1-CD 3.47Å; E82-R92 IonicContact OE1-CZ 3.6Å; E82-R92 IonicContact OE1-NE 2.81Å; E82-R92 PolarHBondContact OE1-NE 2.74Å; E82-R92 VanDerWaalsContact OE1-NE 3.14Å; E82-R92 IonicContact OE1-NH1 3.49Å; E82-R92 IonicContact OE1-NH2 3.98Å |
| 83 | L | 94.7 | Very high | 91.4 | Very high | 63 Ų | 63 | 49.8 Ų | 49.8 | 33% | 0.33 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.4 | 175.5 | 174.2 | 66 | 0 | 0 | 0 | 107.9 | S59 L60 L85 V89 G90 S91 | S59-L83 CarbonylContact O-C 3.34Å; S59-L83 WeakPolarHBondContact O-CA 3.34Å; L60-L83 HydrophobicContact CB-CD1 4.47Å; L60-L83 HydrophobicContact CD1-CD1 4.31Å; L83-L85 HydrophobicContact CD1-CD1 4.43Å; L83-L85 HydrophobicContact CD1-CD2 4.37Å; L83-L85 HydrophobicContact CD1-CG 4.03Å; L83-L85 HydrophobicContact CD2-CD1 4.48Å; L83-L85 HydrophobicContact CG-CG 4.35Å; L83-V89 HydrophobicContact CD2-CG1 4.45Å; L83-G90 CarbonylContact O-C 3.57Å; L83-G90 WeakPolarHBondContact O-CA 3.34Å; L83-S91 PolarHBondContact N-O 2.75Å; L83-S91 PolarHBondContact O-N 2.78Å |
| 84 | F | 94.3 | Very high | 92.6 | Very high | 35 Ų | 35 | 48.1 Ų | 48.1 | 15% | 0.154 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 113.4 | 173.5 | -179.2 | -111.4 | 0 | 0 | 0 | 109.4 | E56 T57 A58 S59 P86 R119 | E56-F84 HydrophobicContact CB-CE1 4.41Å; E56-F84 WeakPolarHBondContact OE2-CZ 3.47Å; T57-F84 WeakPolarHBondContact O-CD1 3.42Å; A58-F84 CarbonylContact C-O 3.59Å; A58-F84 VanDerWaalsContact CA-O 3.25Å; A58-F84 WeakPolarHBondContact CA-O 3.43Å; S59-F84 PolarHBondContact N-O 3.14Å; S59-F84 PolarHBondContact O-N 2.81Å; F84-P86 HydrophobicContact CD1-CG 4.2Å; F84-P86 HydrophobicContact CE1-CB 4.32Å; F84-P86 HydrophobicContact CE1-CG 3.72Å; F84-P86 HydrophobicContact CZ-CB 4.42Å; F84-P86 HydrophobicContact CZ-CG 4.29Å; F84-R119 HydrophobicContact CE2-CB 4.5Å; F84-R119 HydrophobicContact CE2-CG 3.62Å; F84-R119 HydrophobicContact CZ-CG 3.7Å |
| 85 | L | 91.7 | Very high | 93.1 | Very high | 52 Ų | 52 | 48.4 Ų | 48.4 | 27% | 0.272 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 104.7 | 173 | -65.8 | 178.3 | 0 | 0 | 0 | 107.7 | A58 L83 G87 L88 V89 | A58-L85 HydrophobicContact CB-CD2 3.97Å; L83-L85 HydrophobicContact CD1-CD1 4.43Å; L83-L85 HydrophobicContact CD1-CD2 4.37Å; L83-L85 HydrophobicContact CD1-CG 4.03Å; L83-L85 HydrophobicContact CD2-CD1 4.48Å; L83-L85 HydrophobicContact CG-CG 4.35Å; L85-G87 PolarHBondContact O-N 2.82Å; L85-L88 HydrophobicContact CB-CB 4.11Å; L85-L88 PolarHBondContact O-N 2.77Å; L85-V89 HydrophobicContact CB-CG1 3.99Å; L85-V89 HydrophobicContact CD1-CG1 3.81Å; L85-V89 HydrophobicContact CG-CG1 4.21Å; L85-V89 PolarHBondContact N-O 2.76Å; L85-V89 PolarHBondContact O-N 2.8Å; L85-V89 VanDerWaalsContact O-N 3.07Å |
| 86 | P | 89.3 | Confident | 93.4 | Very high | 16 Ų | 16 | 49.9 Ų | 49.9 | 10% | 0.104 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 126.7 | -173 | -25.1 | 31.9 | 0 | 0 | 0 | 112.5 | F54 E56 F84 L88 | F54-P86 HydrophobicContact CB-CB 3.98Å; F54-P86 HydrophobicContact CB-CG 3.86Å; F54-P86 HydrophobicContact CG-CB 4.5Å; F54-P86 HydrophobicContact CG-CG 4.3Å; E56-P86 HydrophobicContact CB-CB 4.01Å; E56-P86 HydrophobicContact CB-CG 3.78Å; F84-P86 HydrophobicContact CD1-CG 4.2Å; F84-P86 HydrophobicContact CE1-CB 4.32Å; F84-P86 HydrophobicContact CE1-CG 3.72Å; F84-P86 HydrophobicContact CZ-CB 4.42Å; F84-P86 HydrophobicContact CZ-CG 4.29Å; P86-L88 PolarHBondContact O-N 2.75Å |
| 87 | G | 84.3 | Confident | 93.6 | Very high | 49 Ų | 49 | 50.9 Ų | 50.9 | 51% | 0.505 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 0.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L85 R115 S118 | L85-G87 PolarHBondContact O-N 2.82Å; G87-R115 WeakPolarHBondContact O-CA 3.47Å; G87-S118 PolarHBondContact N-OG 3.5Å |
| 88 | L | 88.6 | Confident | 93.6 | Very high | 102 Ų | 102 | 49.8 Ų | 49.8 | 53% | 0.534 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -63.4 | 179.5 | -67.9 | 176.6 | 0 | 0 | 0 | 112.2 | L85 P86 R115 | L85-L88 HydrophobicContact CB-CB 4.11Å; L85-L88 PolarHBondContact O-N 2.77Å; P86-L88 PolarHBondContact O-N 2.75Å; L88-R115 PolarHBondContact O-N 2.73Å |
| 89 | V | 92.3 | Very high | 93.5 | Very high | 36 Ų | 36 | 50.9 Ų | 50.9 | 22% | 0.218 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 136.1 | -174.6 | 58.9 | 0 | 0 | 0 | 0 | 111.4 | L83 L85 G113 L114 | L83-V89 HydrophobicContact CD2-CG1 4.45Å; L85-V89 HydrophobicContact CB-CG1 3.99Å; L85-V89 HydrophobicContact CD1-CG1 3.81Å; L85-V89 HydrophobicContact CG-CG1 4.21Å; L85-V89 PolarHBondContact N-O 2.76Å; L85-V89 PolarHBondContact O-N 2.8Å; L85-V89 VanDerWaalsContact O-N 3.07Å; V89-G113 WeakPolarHBondContact CA-O 3.4Å; V89-L114 HydrophobicContact CB-CD2 4.32Å; V89-L114 HydrophobicContact CG2-CD2 4.02Å |
| 90 | G | 93.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 140.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | L83 Y112 G113 S118 L121 | L83-G90 CarbonylContact O-C 3.57Å; L83-G90 WeakPolarHBondContact O-CA 3.34Å; G90-Y112 CarbonylContact O-C 3.53Å; G90-Y112 WeakPolarHBondContact O-CA 3.46Å; G90-Y112 WeakPolarHBondContact O-CB 3.36Å; G90-G113 PolarHBondContact N-O 2.84Å; G90-G113 PolarHBondContact O-N 2.05Å; G90-S118 VanDerWaalsContact CA-O 3.3Å; G90-S118 WeakPolarHBondContact CA-O 3.3Å; G90-L121 WeakPolarHBondContact O-CD2 3.01Å |
| 91 | S | 94.4 | Very high | 92.8 | Very high | 30 Ų | 30 | 53.2 Ų | 53.2 | 21% | 0.21 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 141.5 | 176.9 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | E82 L83 K111 | E82-S91 CarbonylContact C-O 3.49Å; E82-S91 WeakPolarHBondContact CA-O 3.31Å; L83-S91 PolarHBondContact N-O 2.75Å; L83-S91 PolarHBondContact O-N 2.78Å; S91-K111 CarbonylContact C-O 3.49Å; S91-K111 VanDerWaalsContact CA-O 3.25Å; S91-K111 WeakPolarHBondContact CA-O 3.29Å |
| 92 | R | 95.3 | Very high | 92.5 | Very high | 97 Ų | 97 | 54.9 Ų | 54.9 | 37% | 0.366 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 117.7 | 170.4 | 177.6 | 167.1 | -172.2 | -175.5 | 6 | 108.9 | E80 A81 E82 V110 K111 L121 | E80-R92 IonicContact OE1-CZ 3.87Å; E80-R92 IonicContact OE1-NE 3.65Å; E80-R92 IonicContact OE1-NH2 3.42Å; E80-R92 PolarHBondContact OE1-NH2 2.8Å; A81-R92 CarbonylContact O-C 3.52Å; A81-R92 WeakPolarHBondContact O-CA 3.4Å; E82-R92 HydrophobicContact CG-CB 4.42Å; E82-R92 HydrophobicContact CG-CG 4.04Å; E82-R92 WeakPolarHBondContact OE1-CD 3.47Å; E82-R92 IonicContact OE1-CZ 3.6Å; E82-R92 IonicContact OE1-NE 2.81Å; E82-R92 PolarHBondContact OE1-NE 2.74Å; E82-R92 VanDerWaalsContact OE1-NE 3.14Å; E82-R92 IonicContact OE1-NH1 3.49Å; E82-R92 IonicContact OE1-NH2 3.98Å; R92-V110 CarbonylContact O-C 3.53Å; R92-V110 WeakPolarHBondContact O-CA 3.21Å; R92-K111 PolarHBondContact N-O 2.8Å; R92-K111 PolarHBondContact O-N 2.81Å; R92-L121 HydrophobicContact CB-CD1 3.75Å |
| 93 | M | 96.1 | Very high | 92.3 | Very high | 65 Ų | 65 | 52.9 Ų | 52.9 | 32% | 0.32 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129.5 | 178.5 | -178.9 | 174.7 | 83.3 | 0 | 0 | 110 | V79 E80 A81 L108 R109 V110 | V79-M93 HydrophobicContact CG1-CE 4.07Å; E80-M93 CarbonylContact C-O 3.58Å; E80-M93 WeakPolarHBondContact CA-O 3.34Å; A81-M93 HydrophobicContact CB-CB 4.34Å; A81-M93 HydrophobicContact CB-CE 4.12Å; A81-M93 PolarHBondContact N-O 2.85Å; A81-M93 PolarHBondContact O-N 2.73Å; M93-L108 HydrophobicContact CG-CD1 3.55Å; M93-L108 HydrophobicContact SD-CD1 3.83Å; M93-R109 CarbonylContact C-O 3.57Å; M93-R109 WeakPolarHBondContact CA-O 3.4Å; M93-V110 HydrophobicContact CB-CG2 4.37Å; M93-V110 HydrophobicContact CG-CG2 3.99Å; M93-V110 HydrophobicContact SD-CG2 4.48Å |
| 94 | L | 96.6 | Very high | 92.3 | Very high | 63 Ų | 63 | 53.1 Ų | 53.1 | 33% | 0.33 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 114.1 | 173.9 | -63.7 | 172.9 | 0 | 0 | 0 | 108.2 | V79 E80 L108 R109 | V79-L94 CarbonylContact O-C 3.53Å; V79-L94 WeakPolarHBondContact O-CA 3.27Å; E80-L94 HydrophobicContact CB-CD2 3.87Å; E80-L94 HydrophobicContact CG-CD2 3.6Å; L94-L108 CarbonylContact O-C 3.59Å; L94-L108 WeakPolarHBondContact O-CA 3.4Å; L94-R109 HydrophobicContact CB-CB 4.49Å; L94-R109 PolarHBondContact N-O 2.78Å; L94-R109 PolarHBondContact O-N 2.77Å |
| 95 | G | 95.8 | Very high | 92.4 | Very high | 17 Ų | 17 | 52.4 Ų | 52.4 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S78 V79 I107 | S78-G95 CarbonylContact C-O 3.46Å; S78-G95 VanDerWaalsContact CA-O 3.26Å; S78-G95 WeakPolarHBondContact CA-O 3.22Å; V79-G95 PolarHBondContact N-O 3.37Å; V79-G95 PolarHBondContact O-N 2.83Å; G95-I107 CarbonylContact C-O 3.6Å; G95-I107 WeakPolarHBondContact CA-O 3.42Å |
| 96 | L | 95.5 | Very high | 92.6 | Very high | 57 Ų | 57 | 51.5 Ų | 51.5 | 30% | 0.298 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 123.3 | 174.6 | -173.8 | 70.5 | 0 | 0 | 0 | 109.3 | Q76 Y77 S106 I107 | Q76-L96 HydrophobicContact CG-CD1 3.67Å; Y77-L96 CarbonylContact O-C 3.47Å; Y77-L96 WeakPolarHBondContact O-CA 3.38Å; L96-S106 CarbonylContact O-C 3.52Å; L96-S106 WeakPolarHBondContact O-CA 3.26Å; L96-I107 PolarHBondContact N-O 2.87Å; L96-I107 PolarHBondContact O-N 2.73Å |
| 97 | M | 94.9 | Very high | 93 | Very high | 74 Ų | 74 | 53.6 Ų | 53.6 | 37% | 0.365 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 124.7 | 172.1 | -174.8 | 177.7 | 68.9 | 0 | 0 | 109 | Q76 Y77 W104 S105 | Q76-M97 CarbonylContact C-O 3.54Å; Q76-M97 WeakPolarHBondContact CA-O 3.5Å; Y77-M97 HydrophobicContact CD2-CE 3.57Å; Y77-M97 HydrophobicContact CE2-CE 4.03Å; Y77-M97 HydrophobicContact CG-CE 4.05Å; Y77-M97 PolarHBondContact N-O 3.42Å; Y77-M97 PolarHBondContact O-N 3.44Å; M97-W104 HydrophobicContact SD-CZ2 4.39Å; M97-S105 CarbonylContact C-O 3.57Å; M97-S105 WeakPolarHBondContact CA-O 3.1Å |
| 98 | E | 93.3 | Very high | 93.6 | Very high | 52 Ų | 52 | 54.1 Ų | 54.1 | 24% | 0.243 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 132.2 | -177.8 | -171.6 | -177.2 | 170.5 | 0 | 0 | 110.1 | W104 S105 | E98-W104 CarbonylContact O-C 3.53Å; E98-W104 WeakPolarHBondContact O-CA 3.47Å; E98-S105 PolarHBondContact N-O 2.79Å; E98-S105 PolarHBondContact O-N 3.39Å |
| 99 | Q | 90.8 | Very high | 93.9 | Very high | 56 Ų | 56 | 54.3 Ų | 54.3 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 116.8 | 167.7 | -177.5 | 70.3 | 39.2 | 0 | 0 | 107.4 | S74 S75 G101 L103 | S74-Q99 CarbonylContact C-O 3.59Å; S74-Q99 WeakPolarHBondContact CA-O 3.46Å; S75-Q99 PolarHBondContact N-O 3.26Å; S75-Q99 PolarHBondContact O-N 3.31Å; Q99-G101 PolarHBondContact NE2-O 3.19Å; Q99-L103 PolarHBondContact NE2-O 3.18Å |
| 100 | K | 90.2 | Very high | 94.1 | Very high | 117 Ų | 117 | 54.3 Ų | 54.3 | 51% | 0.509 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 98.1 | 178.5 | -175 | 172.7 | -177.2 | 171.8 | 0 | 109.7 | A102 L103 | K100-A102 PolarHBondContact O-N 3.29Å; K100-A102 VanDerWaalsContact O-N 3.13Å; K100-L103 PolarHBondContact N-O 3.17Å; K100-L103 WeakPolarHBondContact O-CB 3.05Å; K100-L103 PolarHBondContact O-N 3.26Å |
| 101 | G | 86.8 | Confident | 94.2 | Very high | 44 Ų | 44 | 57.8 Ų | 57.8 | 45% | 0.454 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | -117 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111 | Q99 | Q99-G101 PolarHBondContact NE2-O 3.19Š|
| 102 | A | 87.7 | Confident | 94.1 | Very high | 52 Ų | 52 | 58.5 Ų | 58.5 | 43% | 0.43 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 5.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K100 R133 | K100-A102 PolarHBondContact O-N 3.29Å; K100-A102 VanDerWaalsContact O-N 3.13Å; A102-R133 WeakPolarHBondContact CB-O 3.23Å; A102-R133 PolarHBondContact O-N 2.79Å |
| 103 | L | 92.3 | Very high | 94 | Very high | 32 Ų | 32 | 54 Ų | 54 | 17% | 0.168 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 127.5 | 171.7 | 177.6 | 68.2 | 0 | 0 | 0 | 109.9 | Q99 K100 R130 R132 | Q99-L103 PolarHBondContact NE2-O 3.18Å; K100-L103 PolarHBondContact N-O 3.17Å; K100-L103 WeakPolarHBondContact O-CB 3.05Å; K100-L103 PolarHBondContact O-N 3.26Å; L103-R130 HydrophobicContact CD1-CG 3.62Å; L103-R132 HydrophobicContact CD1-CB 3.96Å; L103-R132 HydrophobicContact CD1-CG 4.44Å |
| 104 | W | 94.8 | Very high | 93.6 | Very high | 68 Ų | 68 | 55.8 Ų | 55.8 | 26% | 0.258 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 136.6 | 165.8 | 178.2 | 82.5 | 0 | 0 | 0 | 108.5 | M97 E98 Q129 R130 L131 | M97-W104 HydrophobicContact SD-CZ2 4.39Å; E98-W104 CarbonylContact O-C 3.53Å; E98-W104 WeakPolarHBondContact O-CA 3.47Å; W104-Q129 HydrophobicContact CH2-CB 4.24Å; W104-Q129 HydrophobicContact CZ3-CB 3.79Å; W104-R130 CarbonylContact O-C 3.56Å; W104-R130 WeakPolarHBondContact O-CA 3.48Å; W104-L131 HydrophobicContact CB-CB 4.45Å; W104-L131 HydrophobicContact CE3-CB 4.07Å; W104-L131 PolarHBondContact N-O 2.86Å; W104-L131 PolarHBondContact O-N 2.85Å |
| 105 | S | 96 | Very high | 93.1 | Very high | 20 Ų | 20 | 62.1 Ų | 62.1 | 14% | 0.14 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 145.1 | 172.4 | 50.3 | 0 | 0 | 0 | 0 | 111.8 | M97 E98 Q129 | M97-S105 CarbonylContact C-O 3.57Å; M97-S105 WeakPolarHBondContact CA-O 3.1Å; E98-S105 PolarHBondContact N-O 2.79Å; E98-S105 PolarHBondContact O-N 3.39Å; S105-Q129 CarbonylContact C-O 3.58Å; S105-Q129 WeakPolarHBondContact CA-O 3.14Å |
| 106 | S | 96.5 | Very high | 92.2 | Very high | 32 Ų | 32 | 65 Ų | 65 | 22% | 0.224 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 130.3 | 176.5 | -177.2 | 0 | 0 | 0 | 0 | 109 | L96 S128 Q129 | L96-S106 CarbonylContact O-C 3.52Å; L96-S106 WeakPolarHBondContact O-CA 3.26Å; S106-S128 CarbonylContact O-C 3.52Å; S106-S128 WeakPolarHBondContact O-CA 3.18Å; S106-Q129 PolarHBondContact N-O 3.43Å; S106-Q129 PolarHBondContact O-N 2.84Å |
| 107 | I | 96.8 | Very high | 91.5 | Very high | 60 Ų | 60 | 66.5 Ų | 66.5 | 31% | 0.308 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 129.8 | 176.9 | -60.9 | 174.3 | 0 | 0 | 0 | 107.2 | G95 L96 Y126 T127 | G95-I107 CarbonylContact C-O 3.6Å; G95-I107 WeakPolarHBondContact CA-O 3.42Å; L96-I107 PolarHBondContact N-O 2.87Å; L96-I107 PolarHBondContact O-N 2.73Å; I107-Y126 HydrophobicContact CG2-CD2 4.34Å; I107-Y126 HydrophobicContact CG2-CE2 3.55Å; I107-T127 CarbonylContact C-O 3.47Å; I107-T127 WeakPolarHBondContact CA-O 3.34Å |
| 108 | L | 96.6 | Very high | 90.8 | Very high | 61 Ų | 61 | 63.4 Ų | 63.4 | 32% | 0.319 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 121.7 | 173 | 172 | 72 | 0 | 0 | 0 | 108.7 | M93 L94 V110 Y126 T127 | M93-L108 HydrophobicContact CG-CD1 3.55Å; M93-L108 HydrophobicContact SD-CD1 3.83Å; L94-L108 CarbonylContact O-C 3.59Å; L94-L108 WeakPolarHBondContact O-CA 3.4Å; L108-V110 HydrophobicContact CD1-CG2 4.26Å; L108-V110 HydrophobicContact CG-CG2 4.2Å; L108-Y126 CarbonylContact O-C 3.49Å; L108-Y126 WeakPolarHBondContact O-CA 3.27Å; L108-T127 HydrophobicContact CB-CG2 3.59Å; L108-T127 HydrophobicContact CD2-CG2 4.16Å; L108-T127 HydrophobicContact CG-CG2 4.26Å; L108-T127 PolarHBondContact N-O 2.72Å; L108-T127 PolarHBondContact O-N 2.77Å |
| 109 | R | 96.4 | Very high | 90.2 | Very high | 105 Ų | 105 | 68.9 Ų | 68.9 | 40% | 0.396 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 122.7 | 177.1 | 175.3 | 177.8 | -84 | 166.2 | -0.2 | 108.6 | M93 L94 K111 E124 C125 Y126 | M93-R109 CarbonylContact C-O 3.57Å; M93-R109 WeakPolarHBondContact CA-O 3.4Å; L94-R109 HydrophobicContact CB-CB 4.49Å; L94-R109 PolarHBondContact N-O 2.78Å; L94-R109 PolarHBondContact O-N 2.77Å; R109-K111 HydrophobicContact CG-CG 4.46Å; R109-E124 VanDerWaalsContact CD-OE1 3.31Å; R109-E124 WeakPolarHBondContact CD-OE1 3.35Å; R109-E124 HydrophobicContact CG-CG 4.43Å; R109-E124 WeakPolarHBondContact CG-OE1 3.17Å; R109-E124 IonicContact CZ-OE1 3.53Å; R109-E124 IonicContact NE-OE1 3.57Å; R109-E124 PolarHBondContact NE-OE1 2.77Å; R109-E124 IonicContact NH2-OE1 2.69Å; R109-C125 CarbonylContact C-O 3.49Å; R109-C125 WeakPolarHBondContact CA-O 3.39Å; R109-Y126 HydrophobicContact CB-CD2 4.3Å |
| 110 | V | 95.6 | Very high | 89.9 | Confident | 36 Ų | 36 | 70.5 Ų | 70.5 | 22% | 0.218 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 112.3 | 177.6 | -177.3 | 0 | 0 | 0 | 0 | 107.8 | R92 M93 L108 E124 C125 | R92-V110 CarbonylContact O-C 3.53Å; R92-V110 WeakPolarHBondContact O-CA 3.21Å; M93-V110 HydrophobicContact CB-CG2 4.37Å; M93-V110 HydrophobicContact CG-CG2 3.99Å; M93-V110 HydrophobicContact SD-CG2 4.48Å; L108-V110 HydrophobicContact CD1-CG2 4.26Å; L108-V110 HydrophobicContact CG-CG2 4.2Å; V110-E124 CarbonylContact O-C 3.51Å; V110-E124 WeakPolarHBondContact O-CA 3.34Å; V110-C125 PolarHBondContact N-O 2.86Å; V110-C125 PolarHBondContact O-N 3.01Å |
| 111 | K | 95.1 | Very high | 89.8 | Confident | 75 Ų | 75 | 67.6 Ų | 67.6 | 33% | 0.326 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 135.8 | 169.9 | -62.6 | -165.7 | 174.5 | -153.5 | 0 | 109.2 | S91 R92 R109 L121 Q123 E124 | S91-K111 CarbonylContact C-O 3.49Å; S91-K111 VanDerWaalsContact CA-O 3.25Å; S91-K111 WeakPolarHBondContact CA-O 3.29Å; R92-K111 PolarHBondContact N-O 2.8Å; R92-K111 PolarHBondContact O-N 2.81Å; R109-K111 HydrophobicContact CG-CG 4.46Å; K111-L121 HydrophobicContact CB-CB 3.93Å; K111-L121 HydrophobicContact CB-CD1 4.13Å; K111-Q123 CarbonylContact C-O 3.55Å; K111-Q123 VanDerWaalsContact CA-O 3.25Å; K111-Q123 WeakPolarHBondContact CA-O 3.28Å; K111-E124 WeakPolarHBondContact CE-OE2 3.4Å; K111-E124 HydrophobicContact CG-CB 4.38Å; K111-E124 HydrophobicContact CG-CG 4.18Å; K111-E124 IonicContact NZ-OE2 3.78Å; K111-E124 PolarHBondContact NZ-OE2 3.39Å |
| 112 | Y | 93.3 | Very high | 89.7 | Confident | 46 Ų | 46 | 71.8 Ų | 71.8 | 18% | 0.18 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 157.8 | -178.1 | 66.3 | -83.1 | 0 | 0 | 0 | 112.7 | G90 L114 Q123 N153 | G90-Y112 CarbonylContact O-C 3.53Å; G90-Y112 WeakPolarHBondContact O-CA 3.46Å; G90-Y112 WeakPolarHBondContact O-CB 3.36Å; Y112-L114 HydrophobicContact CD2-CG 4.24Å; Y112-L114 HydrophobicContact CE2-CD1 4.36Å; Y112-Q123 HydrophobicContact CD1-CB 3.95Å; Y112-Q123 HydrophobicContact CD2-CB 3.91Å; Y112-Q123 HydrophobicContact CD2-CG 4.41Å; Y112-Q123 HydrophobicContact CE1-CB 3.63Å; Y112-Q123 HydrophobicContact CE2-CB 3.59Å; Y112-Q123 HydrophobicContact CE2-CG 3.96Å; Y112-Q123 HydrophobicContact CG-CB 4.07Å; Y112-Q123 VanDerWaalsContact CZ-CB 3.44Å; Y112-Q123 PolarHBondContact N-O 2.87Å; Y112-Q123 WeakPolarHBondContact O-CB 3.17Å; Y112-Q123 PolarHBondContact O-N 2.7Å; Y112-Q123 VanDerWaalsContact O-N 3.16Å; Y112-N153 PolarHBondContact OH-ND2 3.04Å; Y112-N153 VanDerWaalsContact OH-ND2 3.07Å |
| 113 | G | 92.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 71.7 Ų | 71.7 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 141.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109 | V89 G90 | V89-G113 WeakPolarHBondContact CA-O 3.4Å; G90-G113 PolarHBondContact N-O 2.84Å; G90-G113 PolarHBondContact O-N 2.05Å |
| 114 | L | 89 | Confident | 89.9 | Confident | 102 Ų | 102 | 72 Ų | 72 | 53% | 0.534 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 143 | -176.5 | -63.3 | 172.6 | 0 | 0 | 0 | 110 | V89 Y112 G116 D117 | V89-L114 HydrophobicContact CB-CD2 4.32Å; V89-L114 HydrophobicContact CG2-CD2 4.02Å; Y112-L114 HydrophobicContact CD2-CG 4.24Å; Y112-L114 HydrophobicContact CE2-CD1 4.36Å; L114-G116 PolarHBondContact O-N 2.75Å; L114-D117 PolarHBondContact O-N 2.81Å |
| 115 | R | 85.2 | Confident | 89.8 | Confident | 196 Ų | 196 | 70 Ų | 70 | 74% | 0.74 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | 55.2 | -122.5 | 174.8 | -59.6 | -179.5 | 174.1 | -173.1 | -2.1 | 113.3 | G87 L88 D117 S118 | G87-R115 WeakPolarHBondContact O-CA 3.47Å; L88-R115 PolarHBondContact O-N 2.73Å; R115-D117 PolarHBondContact O-N 2.75Å; R115-S118 VanDerWaalsContact O-CB 3.3Å; R115-S118 WeakPolarHBondContact O-CB 3.43Å; R115-S118 PolarHBondContact O-N 2.8Å; R115-S118 PolarHBondContact O-OG 2.84Å |
| 116 | G | 77.3 | Confident | 89.7 | Confident | 78 Ų | 78 | 71.3 Ų | 71.3 | 80% | 0.804 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -59.9 | -24.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L114 | L114-G116 PolarHBondContact O-N 2.75Š|
| 117 | D | 80.1 | Confident | 89.6 | Confident | 89 Ų | 89 | 71.3 Ų | 71.3 | 48% | 0.476 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -97.9 | 20 | 177.5 | -70 | -36 | 0 | 0 | 0 | 112.9 | L114 R115 R119 N120 | L114-D117 PolarHBondContact O-N 2.81Å; R115-D117 PolarHBondContact O-N 2.75Å; D117-R119 PolarHBondContact O-N 2.9Å; D117-N120 CarbonylContact O-C 3.54Å; D117-N120 PolarHBondContact O-N 3.4Å |
| 118 | S | 80.8 | Confident | 89.6 | Confident | 9 Ų | 9 | 69.4 Ų | 69.4 | 6% | 0.063 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.4 | -177.9 | 67.5 | 0 | 0 | 0 | 0 | 114.2 | G87 G90 R115 | G87-S118 PolarHBondContact N-OG 3.5Å; G90-S118 VanDerWaalsContact CA-O 3.3Å; G90-S118 WeakPolarHBondContact CA-O 3.3Å; R115-S118 VanDerWaalsContact O-CB 3.3Å; R115-S118 WeakPolarHBondContact O-CB 3.43Å; R115-S118 PolarHBondContact O-N 2.8Å; R115-S118 PolarHBondContact O-OG 2.84Å |
| 119 | R | 80.9 | Confident | 89.6 | Confident | 167 Ų | 167 | 70 Ų | 70 | 63% | 0.63 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -28.5 | 172.7 | -84.1 | -174.5 | 174.2 | -157.4 | -2.5 | 113.6 | E56 F84 D117 | E56-R119 IonicContact OE1-CZ 3.34Å; E56-R119 IonicContact OE1-NE 3.41Å; E56-R119 PolarHBondContact OE1-NE 2.81Å; E56-R119 IonicContact OE1-NH2 3.11Å; E56-R119 PolarHBondContact OE1-NH2 3.27Å; E56-R119 VanDerWaalsContact OE1-NH2 3.11Å; E56-R119 IonicContact OE2-CZ 3.18Å; E56-R119 IonicContact OE2-NE 2.87Å; E56-R119 PolarHBondContact OE2-NE 2.95Å; E56-R119 IonicContact OE2-NH2 2.74Å; E56-R119 PolarHBondContact OE2-NH2 3.14Å; F84-R119 HydrophobicContact CE2-CB 4.5Å; F84-R119 HydrophobicContact CE2-CG 3.62Å; F84-R119 HydrophobicContact CZ-CG 3.7Å; D117-R119 PolarHBondContact O-N 2.9Å |
| 120 | N | 84.9 | Confident | 89.6 | Confident | 89 Ų | 89 | 70.8 Ų | 70.8 | 48% | 0.476 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -101.9 | 96.2 | -175.2 | -63.5 | -29.1 | 0 | 0 | 0 | 109.1 | D117 H122 | D117-N120 CarbonylContact O-C 3.54Å; D117-N120 PolarHBondContact O-N 3.4Å; N120-H122 WeakPolarHBondContact CB-NE2 3.35Å; N120-H122 PolarHBondContact O-N 2.86Å |
| 121 | L | 87.4 | Confident | 89.6 | Confident | 57 Ų | 57 | 71.2 Ų | 71.2 | 30% | 0.298 | 35% | 0.348 | S | S | . | . | trans | -75.2 | 64.4 | -176.9 | -51.1 | 179 | 0 | 0 | 0 | 112 | G90 R92 K111 Q123 | G90-L121 WeakPolarHBondContact O-CD2 3.01Å; R92-L121 HydrophobicContact CB-CD1 3.75Å; K111-L121 HydrophobicContact CB-CB 3.93Å; K111-L121 HydrophobicContact CB-CD1 4.13Å; L121-Q123 VanDerWaalsContact C-N 3.32Å; L121-Q123 PolarHBondContact O-N 3.22Å | ||
| 122 | H | 86 | Confident | 89.6 | Confident | 131 Ų | 131 | 74.3 Ų | 74.3 | 61% | 0.606 | 36% | 0.358 | S | S | * | . | trans | -71.3 | -24.4 | -177.2 | -70.6 | -56.3 | 0 | 0 | 0 | 113.6 | N120 | N120-H122 WeakPolarHBondContact CB-NE2 3.35Å; N120-H122 PolarHBondContact O-N 2.86Å | ||
| 123 | Q | 91 | Very high | 89.6 | Confident | 51 Ų | 51 | 77.7 Ų | 77.7 | 24% | 0.238 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 136.9 | -177.5 | -54.8 | -63.2 | -28.9 | 0 | 0 | 110.2 | K111 Y112 L121 N153 | K111-Q123 CarbonylContact C-O 3.55Å; K111-Q123 VanDerWaalsContact CA-O 3.25Å; K111-Q123 WeakPolarHBondContact CA-O 3.28Å; Y112-Q123 HydrophobicContact CD1-CB 3.95Å; Y112-Q123 HydrophobicContact CD2-CB 3.91Å; Y112-Q123 HydrophobicContact CD2-CG 4.41Å; Y112-Q123 HydrophobicContact CE1-CB 3.63Å; Y112-Q123 HydrophobicContact CE2-CB 3.59Å; Y112-Q123 HydrophobicContact CE2-CG 3.96Å; Y112-Q123 HydrophobicContact CG-CB 4.07Å; Y112-Q123 VanDerWaalsContact CZ-CB 3.44Å; Y112-Q123 PolarHBondContact N-O 2.87Å; Y112-Q123 WeakPolarHBondContact O-CB 3.17Å; Y112-Q123 PolarHBondContact O-N 2.7Å; Y112-Q123 VanDerWaalsContact O-N 3.16Å; L121-Q123 VanDerWaalsContact C-N 3.32Å; L121-Q123 PolarHBondContact O-N 3.22Å; Q123-N153 PolarHBondContact OE1-ND2 2.85Å; Q123-N153 PolarHBondContact OE1-OD1 2.68Å |
| 124 | E | 92.3 | Very high | 89.4 | Confident | 38 Ų | 38 | 79 Ų | 79 | 18% | 0.178 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 136.7 | 180 | -177.5 | 168.3 | 177.4 | 0 | 0 | 110.9 | R109 V110 K111 C151 T152 | R109-E124 VanDerWaalsContact CD-OE1 3.31Å; R109-E124 WeakPolarHBondContact CD-OE1 3.35Å; R109-E124 HydrophobicContact CG-CG 4.43Å; R109-E124 WeakPolarHBondContact CG-OE1 3.17Å; R109-E124 IonicContact CZ-OE1 3.53Å; R109-E124 IonicContact NE-OE1 3.57Å; R109-E124 PolarHBondContact NE-OE1 2.77Å; R109-E124 IonicContact NH2-OE1 2.69Å; V110-E124 CarbonylContact O-C 3.51Å; V110-E124 WeakPolarHBondContact O-CA 3.34Å; K111-E124 WeakPolarHBondContact CE-OE2 3.4Å; K111-E124 HydrophobicContact CG-CB 4.38Å; K111-E124 HydrophobicContact CG-CG 4.18Å; K111-E124 IonicContact NZ-OE2 3.78Å; K111-E124 PolarHBondContact NZ-OE2 3.39Å; E124-C151 WeakPolarHBondContact O-CA 3.46Å; E124-T152 PolarHBondContact N-OG1 2.82Å; E124-T152 PolarHBondContact O-N 2.85Å; E124-T152 PolarHBondContact O-OG1 3.35Å; E124-T152 VanDerWaalsContact O-OG1 3.06Å |
| 125 | C | 92.7 | Very high | 89.2 | Confident | 27 Ų | 27 | 83.2 Ų | 83.2 | 18% | 0.182 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.1 | 164.1 | -81.4 | 0 | 0 | 0 | 0 | 109 | R109 V110 Y150 C151 | R109-C125 CarbonylContact C-O 3.49Å; R109-C125 WeakPolarHBondContact CA-O 3.39Å; V110-C125 PolarHBondContact N-O 2.86Å; V110-C125 PolarHBondContact O-N 3.01Å; C125-Y150 CarbonylContact C-O 3.42Å; C125-Y150 VanDerWaalsContact CA-O 3.26Å; C125-Y150 WeakPolarHBondContact CA-O 3.47Å; C125-C151 HydrophobicContact CB-CB 4.29Å; C125-C151 WeakPolarHBondContact CB-SG 3.26Å; C125-C151 WeakPolarHBondContact SG-CB 3.43Å; C125-C151 CovalentContact SG-SG 2.05Å; C125-C151 PolarHBondContact SG-SG 2.77Å |
| 126 | Y | 93.1 | Very high | 89 | Confident | 47 Ų | 47 | 77.9 Ų | 77.9 | 18% | 0.184 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 129.9 | -175.4 | 172.1 | -98.7 | 0 | 0 | 0 | 108.9 | I107 L108 R109 S128 E148 F149 Y150 | I107-Y126 HydrophobicContact CG2-CD2 4.34Å; I107-Y126 HydrophobicContact CG2-CE2 3.55Å; L108-Y126 CarbonylContact O-C 3.49Å; L108-Y126 WeakPolarHBondContact O-CA 3.27Å; R109-Y126 HydrophobicContact CB-CD2 4.3Å; Y126-S128 VanDerWaalsContact OH-CB 3.31Å; Y126-S128 WeakPolarHBondContact OH-CB 3.24Å; Y126-S128 PolarHBondContact OH-OG 3.39Å; Y126-E148 HydrophobicContact CE1-CB 4.38Å; Y126-F149 WeakPolarHBondContact O-CA 3.27Å; Y126-Y150 PolarHBondContact N-O 2.82Å; Y126-Y150 PolarHBondContact O-N 2.82Å |
| 127 | T | 95.5 | Very high | 88.9 | Confident | 32 Ų | 32 | 79 Ų | 79 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 133.7 | 169.3 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | I107 L108 H147 E148 | I107-T127 CarbonylContact C-O 3.47Å; I107-T127 WeakPolarHBondContact CA-O 3.34Å; L108-T127 HydrophobicContact CB-CG2 3.59Å; L108-T127 HydrophobicContact CD2-CG2 4.16Å; L108-T127 HydrophobicContact CG-CG2 4.26Å; L108-T127 PolarHBondContact N-O 2.72Å; L108-T127 PolarHBondContact O-N 2.77Å; T127-H147 PolarHBondContact OG1-CE1 2.74Å; T127-E148 CarbonylContact C-O 3.48Å; T127-E148 VanDerWaalsContact CA-O 3.27Å; T127-E148 WeakPolarHBondContact CA-O 3.26Å |
| 128 | S | 96 | Very high | 88.8 | Confident | 20 Ų | 20 | 80.7 Ų | 80.7 | 14% | 0.14 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 137.9 | 173.6 | -160.4 | 0 | 0 | 0 | 0 | 109.2 | S106 Y126 H147 E148 | S106-S128 CarbonylContact O-C 3.52Å; S106-S128 WeakPolarHBondContact O-CA 3.18Å; Y126-S128 VanDerWaalsContact OH-CB 3.31Å; Y126-S128 WeakPolarHBondContact OH-CB 3.24Å; Y126-S128 PolarHBondContact OH-OG 3.39Å; S128-H147 CarbonylContact O-C 3.59Å; S128-H147 WeakPolarHBondContact O-CA 3.33Å; S128-H147 PolarHBondContact O-ND1 3.17Å; S128-E148 PolarHBondContact N-O 3.35Å; S128-E148 PolarHBondContact O-N 3.02Å |
| 129 | Q | 96.8 | Very high | 88.9 | Confident | 74 Ų | 74 | 86.5 Ų | 86.5 | 35% | 0.346 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 131.9 | 175.5 | -66.3 | 176.8 | -15 | 0 | 0 | 107.8 | W104 S105 S106 D146 H147 | W104-Q129 HydrophobicContact CH2-CB 4.24Å; W104-Q129 HydrophobicContact CZ3-CB 3.79Å; S105-Q129 CarbonylContact C-O 3.58Å; S105-Q129 WeakPolarHBondContact CA-O 3.14Å; S106-Q129 PolarHBondContact N-O 3.43Å; S106-Q129 PolarHBondContact O-N 2.84Å; Q129-D146 CarbonylContact C-O 3.58Å; Q129-D146 WeakPolarHBondContact CA-O 3.37Å; Q129-H147 WeakPolarHBondContact CG-ND1 3.42Å |
| 130 | R | 96.8 | Very high | 89.2 | Confident | 121 Ų | 121 | 79.3 Ų | 79.3 | 46% | 0.457 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 119.8 | 177.7 | -168.7 | -176.9 | -176.1 | 171.6 | 3.9 | 109 | L103 W104 A145 D146 | L103-R130 HydrophobicContact CD1-CG 3.62Å; W104-R130 CarbonylContact O-C 3.56Å; W104-R130 WeakPolarHBondContact O-CA 3.48Å; R130-A145 CarbonylContact O-C 3.53Å; R130-A145 WeakPolarHBondContact O-CA 3.27Å; R130-D146 HydrophobicContact CB-CB 4.1Å; R130-D146 PolarHBondContact N-O 2.79Å; R130-D146 PolarHBondContact O-N 2.92Å |
| 131 | L | 96.1 | Very high | 89.6 | Confident | 44 Ų | 44 | 78.6 Ų | 78.6 | 23% | 0.23 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 114.2 | 175.9 | 178.9 | 66 | 0 | 0 | 0 | 109.2 | W104 R133 M143 R144 A145 | W104-L131 HydrophobicContact CB-CB 4.45Å; W104-L131 HydrophobicContact CE3-CB 4.07Å; W104-L131 PolarHBondContact N-O 2.86Å; W104-L131 PolarHBondContact O-N 2.85Å; L131-R133 HydrophobicContact CD1-CG 4.33Å; L131-R133 HydrophobicContact CG-CG 4.26Å; L131-M143 HydrophobicContact CD1-CG 3.89Å; L131-M143 HydrophobicContact CD1-SD 4.06Å; L131-R144 WeakPolarHBondContact CA-O 3.49Å; L131-A145 HydrophobicContact CD1-CB 4.03Å |
| 132 | R | 94.6 | Very high | 89.9 | Confident | 140 Ų | 140 | 76.8 Ų | 76.8 | 53% | 0.528 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.8 | 172 | -171.9 | 176.3 | 179.4 | 179.9 | 0.1 | 109.1 | L103 M143 R144 | L103-R132 HydrophobicContact CD1-CB 3.96Å; L103-R132 HydrophobicContact CD1-CG 4.44Å; R132-M143 WeakPolarHBondContact O-CA 3.42Å; R132-R144 HydrophobicContact CB-CB 4.49Å; R132-R144 PolarHBondContact N-O 3.24Å; R132-R144 PolarHBondContact O-N 2.96Å |
| 133 | R | 92.3 | Very high | 90.3 | Very high | 117 Ų | 117 | 72 Ų | 72 | 44% | 0.442 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 144.9 | 171.9 | -66.3 | 172.9 | -70.9 | -180 | -1.5 | 108.3 | A102 L131 M143 | A102-R133 WeakPolarHBondContact CB-O 3.23Å; A102-R133 PolarHBondContact O-N 2.79Å; L131-R133 HydrophobicContact CD1-CG 4.33Å; L131-R133 HydrophobicContact CG-CG 4.26Å; R133-M143 HydrophobicContact CG-CG 4.23Å |
| 134 | G | 89 | Confident | 90.6 | Very high | 31 Ų | 31 | 73.6 Ų | 73.6 | 32% | 0.32 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | 163.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I142 | G134-I142 PolarHBondContact N-O 3.13Å; G134-I142 PolarHBondContact O-N 2.86Å |
| 135 | R | 85.6 | Confident | 90.8 | Very high | 189 Ų | 189 | 73.1 Ų | 73.1 | 71% | 0.713 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 133.3 | 162.9 | -70.4 | -175.4 | -178.2 | -167.2 | -0.7 | 107.9 | T140 | R135-T140 VanDerWaalsContact CA-O 3.32Å; R135-T140 WeakPolarHBondContact CA-O 3.33Å |
| 136 | D | 80.6 | Confident | 91 | Very high | 84 Ų | 84 | 74 Ų | 74 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | trans | -76.1 | 171.4 | 172 | -158.8 | 5.9 | 0 | 0 | 0 | 110.8 | N138 L139 T140 I142 | D136-N138 PolarHBondContact O-N 2.76Å; D136-L139 PolarHBondContact O-N 3.41Å; D136-T140 PolarHBondContact N-O 2.84Å; D136-I142 HydrophobicContact CB-CD1 3.93Å | ||
| 137 | S | 74 | Confident | 91.2 | Very high | 102 Ų | 102 | 73.7 Ų | 73.7 | 71% | 0.713 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -27.3 | 178 | 61.8 | 0 | 0 | 0 | 0 | 113.3 | L139 | S137-L139 VanDerWaalsContact C-N 3.32Å; S137-L139 PolarHBondContact O-N 2.82Å |
| 138 | N | 79.4 | Confident | 91.1 | Very high | 124 Ų | 124 | 74.2 Ų | 74.2 | 66% | 0.663 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 22.1 | 180 | -62.6 | -11.8 | 0 | 0 | 0 | 113.4 | D136 T140 | D136-N138 PolarHBondContact O-N 2.76Å; N138-T140 PolarHBondContact O-N 2.89Å |
| 139 | L | 81.3 | Confident | 91 | Very high | 132 Ų | 132 | 75.2 Ų | 75.2 | 69% | 0.691 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 57 | 13.2 | -175.9 | -60.3 | 170.1 | 0 | 0 | 0 | 114.6 | D136 S137 Y141 | D136-L139 PolarHBondContact O-N 3.41Å; S137-L139 VanDerWaalsContact C-N 3.32Å; S137-L139 PolarHBondContact O-N 2.82Å; L139-Y141 PolarHBondContact O-N 2.78Å |
| 140 | T | 88.1 | Confident | 90.7 | Very high | 15 Ų | 15 | 75.2 Ų | 75.2 | 9% | 0.092 | 36% | 0.357 | C | S | . | . | trans | -73.6 | 123.3 | 176.9 | -57.9 | 0 | 0 | 0 | 0 | 108.4 | R135 D136 N138 I142 E167 | R135-T140 VanDerWaalsContact CA-O 3.32Å; R135-T140 WeakPolarHBondContact CA-O 3.33Å; D136-T140 PolarHBondContact N-O 2.84Å; N138-T140 PolarHBondContact O-N 2.89Å; T140-I142 HydrophobicContact CG2-CG1 4.3Å; T140-E167 CarbonylContact C-O 3.58Å; T140-E167 WeakPolarHBondContact CA-O 3.47Å; T140-E167 WeakPolarHBondContact CG2-O 3.31Å | ||
| 141 | Y | 92.7 | Very high | 90.4 | Very high | 74 Ų | 74 | 69.6 Ų | 69.6 | 29% | 0.29 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 126.8 | 174.3 | 177.5 | -104.2 | 0 | 0 | 0 | 109.1 | L139 M143 E166 E167 | L139-Y141 PolarHBondContact O-N 2.78Å; Y141-M143 HydrophobicContact CE1-CB 3.79Å; Y141-E166 CarbonylContact O-C 3.57Å; Y141-E166 WeakPolarHBondContact O-CA 3.39Å; Y141-E167 PolarHBondContact N-O 2.82Å; Y141-E167 PolarHBondContact O-N 2.65Å |
| 142 | I | 94.4 | Very high | 90 | Very high | 20 Ų | 20 | 69.3 Ų | 69.3 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 122.6 | 178.1 | -55 | 178.9 | 0 | 0 | 0 | 108.2 | G134 D136 T140 R144 H165 E166 | G134-I142 PolarHBondContact N-O 3.13Å; G134-I142 PolarHBondContact O-N 2.86Å; D136-I142 HydrophobicContact CB-CD1 3.93Å; T140-I142 HydrophobicContact CG2-CG1 4.3Å; I142-R144 HydrophobicContact CG2-CG 4.32Å; I142-H165 WeakPolarHBondContact CA-O 3.38Å; I142-E166 HydrophobicContact CG1-CG 4.41Å |
| 143 | M | 95.2 | Very high | 89.5 | Confident | 31 Ų | 31 | 67.2 Ų | 67.2 | 15% | 0.153 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.3 | 170.5 | -179.5 | -83.9 | -77.1 | 0 | 0 | 109 | L131 R132 R133 Y141 A145 M163 K164 H165 | L131-M143 HydrophobicContact CD1-CG 3.89Å; L131-M143 HydrophobicContact CD1-SD 4.06Å; R132-M143 WeakPolarHBondContact O-CA 3.42Å; R133-M143 HydrophobicContact CG-CG 4.23Å; Y141-M143 HydrophobicContact CE1-CB 3.79Å; M143-A145 HydrophobicContact SD-CB 3.91Å; M143-M163 HydrophobicContact CE-CE 3.88Å; M143-M163 HydrophobicContact CE-SD 3.98Å; M143-K164 WeakPolarHBondContact O-CA 3.18Å; M143-H165 HydrophobicContact CB-CB 4.35Å; M143-H165 HydrophobicContact CE-CB 3.89Å; M143-H165 PolarHBondContact N-O 3.42Å; M143-H165 PolarHBondContact O-N 3.32Å |
| 144 | R | 96.5 | Very high | 89 | Confident | 83 Ų | 83 | 66.3 Ų | 66.3 | 31% | 0.313 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124 | 171.5 | -64.6 | -178.2 | 180 | 95.7 | -5.3 | 108.2 | L131 R132 I142 M163 K164 | L131-R144 WeakPolarHBondContact CA-O 3.49Å; R132-R144 HydrophobicContact CB-CB 4.49Å; R132-R144 PolarHBondContact N-O 3.24Å; R132-R144 PolarHBondContact O-N 2.96Å; I142-R144 HydrophobicContact CG2-CG 4.32Å; R144-M163 CarbonylContact C-O 3.49Å; R144-M163 WeakPolarHBondContact CA-O 3.41Å; R144-K164 HydrophobicContact CG-CG 4.32Å |
| 145 | A | 96.9 | Very high | 88.4 | Confident | 28 Ų | 28 | 68 Ų | 68 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 117.6 | 175 | 0 | 0 | 0 | 0 | 0 | 108.9 | R130 L131 M143 M163 | R130-A145 CarbonylContact O-C 3.53Å; R130-A145 WeakPolarHBondContact O-CA 3.27Å; L131-A145 HydrophobicContact CD1-CB 4.03Å; M143-A145 HydrophobicContact SD-CB 3.91Å; A145-M163 HydrophobicContact CB-CB 4.3Å; A145-M163 PolarHBondContact N-O 2.9Å; A145-M163 PolarHBondContact O-N 2.85Å |
| 146 | D | 96.8 | Very high | 88.1 | Confident | 46 Ų | 46 | 64.7 Ų | 64.7 | 25% | 0.246 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 136.1 | 173.4 | -52.6 | -58.1 | 0 | 0 | 0 | 108.5 | Q129 R130 I161 H162 | Q129-D146 CarbonylContact C-O 3.58Å; Q129-D146 WeakPolarHBondContact CA-O 3.37Å; R130-D146 HydrophobicContact CB-CB 4.1Å; R130-D146 PolarHBondContact N-O 2.79Å; R130-D146 PolarHBondContact O-N 2.92Å; D146-I161 CarbonylContact C-O 3.54Å; D146-I161 WeakPolarHBondContact CA-O 3.37Å; D146-H162 IonicContact OD1-CE1 3.89Å; D146-H162 PolarHBondContact OD1-CE1 2.87Å; D146-H162 IonicContact OD1-CG 3.91Å; D146-H162 IonicContact OD1-ND1 2.76Å; D146-H162 PolarHBondContact OD1-ND1 2.95Å |
| 147 | H | 95.7 | Very high | 88.2 | Confident | 41 Ų | 41 | 64.4 Ų | 64.4 | 19% | 0.19 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 130.2 | 170.6 | -179.5 | 43.5 | 0 | 0 | 0 | 109.4 | T127 S128 Q129 H159 K160 I161 | T127-H147 PolarHBondContact OG1-CE1 2.74Å; S128-H147 CarbonylContact O-C 3.59Å; S128-H147 WeakPolarHBondContact O-CA 3.33Å; S128-H147 PolarHBondContact O-ND1 3.17Å; Q129-H147 WeakPolarHBondContact CG-ND1 3.42Å; H147-H159 AromaticContact CD2-CD2 3.98Å; H147-H159 AromaticContact CD2-NE2 3.21Å; H147-H159 PolarHBondContact CD2-NE2 2.77Å; H147-H159 AromaticContact NE2-CE1 3.93Å; H147-H159 AromaticContact NE2-NE2 3.35Å; H147-H159 PolarHBondContact NE2-NE2 3.28Å; H147-K160 CarbonylContact O-C 3.55Å; H147-K160 WeakPolarHBondContact O-CA 3.47Å; H147-I161 HydrophobicContact CB-CB 4.21Å; H147-I161 HydrophobicContact CB-CG1 4.34Å; H147-I161 PolarHBondContact N-O 2.84Å; H147-I161 PolarHBondContact O-N 2.88Å |
| 148 | E | 94.8 | Very high | 89 | Confident | 42 Ų | 42 | 59.6 Ų | 59.6 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134.2 | 174.2 | -59.6 | -177.5 | 167.4 | 0 | 0 | 108.1 | Y126 T127 S128 K160 | Y126-E148 HydrophobicContact CE1-CB 4.38Å; T127-E148 CarbonylContact C-O 3.48Å; T127-E148 VanDerWaalsContact CA-O 3.27Å; T127-E148 WeakPolarHBondContact CA-O 3.26Å; S128-E148 PolarHBondContact N-O 3.35Å; S128-E148 PolarHBondContact O-N 3.02Å; E148-K160 HydrophobicContact CG-CB 4.47Å; E148-K160 HydrophobicContact CG-CD 4.04Å; E148-K160 HydrophobicContact CG-CG 4.01Å; E148-K160 WeakPolarHBondContact OE1-CE 3.46Å; E148-K160 IonicContact OE1-NZ 2.72Å; E148-K160 PolarHBondContact OE1-NZ 2.85Å |
| 149 | F | 93.5 | Very high | 89.6 | Confident | 42 Ų | 42 | 55.7 Ų | 55.7 | 18% | 0.184 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 127.1 | 175 | -177.1 | -92.2 | 0 | 0 | 0 | 109.6 | Y126 C151 I157 N158 H159 | Y126-F149 WeakPolarHBondContact O-CA 3.27Å; F149-C151 HydrophobicContact CE1-CB 4.11Å; F149-C151 HydrophobicContact CZ-CB 4.27Å; F149-C151 WeakPolarHBondContact CZ-SG 3.49Å; F149-I157 HydrophobicContact CD1-CD1 4.32Å; F149-I157 HydrophobicContact CD1-CG1 4.39Å; F149-I157 WeakPolarHBondContact CD1-O 3.28Å; F149-I157 HydrophobicContact CE1-CD1 3.38Å; F149-I157 HydrophobicContact CE1-CG1 3.75Å; F149-I157 HydrophobicContact CZ-CD1 3.87Å; F149-N158 WeakPolarHBondContact O-CA 3.38Å; F149-H159 PolarHBondContact N-O 3.23Å; F149-H159 PolarHBondContact O-N 2.82Å |
| 150 | Y | 91.1 | Very high | 90.2 | Very high | 73 Ų | 73 | 52.9 Ų | 52.9 | 29% | 0.286 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 131 | 179.7 | 171.3 | -97.3 | 0 | 0 | 0 | 109.7 | C125 Y126 N158 | C125-Y150 CarbonylContact C-O 3.42Å; C125-Y150 VanDerWaalsContact CA-O 3.26Å; C125-Y150 WeakPolarHBondContact CA-O 3.47Å; Y126-Y150 PolarHBondContact N-O 2.82Å; Y126-Y150 PolarHBondContact O-N 2.82Å; Y150-N158 WeakPolarHBondContact CA-OD1 3.48Å |
| 151 | C | 90.5 | Very high | 90.5 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.02 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 130.6 | 172.8 | -84.6 | 0 | 0 | 0 | 0 | 109.9 | E124 C125 F149 N153 M154 N158 | E124-C151 WeakPolarHBondContact O-CA 3.46Å; C125-C151 HydrophobicContact CB-CB 4.29Å; C125-C151 WeakPolarHBondContact CB-SG 3.26Å; C125-C151 WeakPolarHBondContact SG-CB 3.43Å; C125-C151 CovalentContact SG-SG 2.05Å; C125-C151 PolarHBondContact SG-SG 2.77Å; F149-C151 HydrophobicContact CE1-CB 4.11Å; F149-C151 HydrophobicContact CZ-CB 4.27Å; F149-C151 WeakPolarHBondContact CZ-SG 3.49Å; C151-N153 PolarHBondContact O-N 3.21Å; C151-M154 HydrophobicContact CB-CB 3.88Å; C151-M154 HydrophobicContact CB-CG 4.4Å; C151-M154 PolarHBondContact O-N 2.84Å; C151-N158 PolarHBondContact N-OD1 2.79Å; C151-N158 PolarHBondContact O-ND2 2.79Å; C151-N158 PolarHBondContact O-OD1 2.87Å |
| 152 | T | 87.4 | Confident | 90.7 | Very high | 39 Ų | 39 | 54 Ų | 54 | 24% | 0.239 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -40.4 | -178.3 | -45.7 | 0 | 0 | 0 | 0 | 112.9 | E124 | E124-T152 PolarHBondContact N-OG1 2.82Å; E124-T152 PolarHBondContact O-N 2.85Å; E124-T152 PolarHBondContact O-OG1 3.35Å; E124-T152 VanDerWaalsContact O-OG1 3.06Å |
| 153 | N | 83.6 | Confident | 90.8 | Very high | 95 Ų | 95 | 56.4 Ų | 56.4 | 51% | 0.508 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 0.1 | -177.8 | -74.8 | -26.3 | 0 | 0 | 0 | 114.5 | Y112 Q123 C151 | Y112-N153 PolarHBondContact OH-ND2 3.04Å; Y112-N153 VanDerWaalsContact OH-ND2 3.07Å; Q123-N153 PolarHBondContact OE1-ND2 2.85Å; Q123-N153 PolarHBondContact OE1-OD1 2.68Å; C151-N153 PolarHBondContact O-N 3.21Å |
| 154 | M | 81.4 | Confident | 90.9 | Very high | 98 Ų | 98 | 57.5 Ų | 57.5 | 48% | 0.483 | 29% | 0.287 | S | S | . | . | trans | -127.5 | 50.7 | -177 | -57.4 | -172.4 | 78.1 | 0 | 0 | 110.8 | C151 P156 I157 N158 | C151-M154 HydrophobicContact CB-CB 3.88Å; C151-M154 HydrophobicContact CB-CG 4.4Å; C151-M154 PolarHBondContact O-N 2.84Å; M154-P156 VanDerWaalsContact C-N 3.34Å; M154-I157 HydrophobicContact CB-CD1 3.72Å; M154-I157 HydrophobicContact CB-CG1 3.65Å; M154-I157 HydrophobicContact CE-CD1 3.58Å; M154-I157 HydrophobicContact CE-CG1 4.45Å; M154-I157 HydrophobicContact CG-CD1 4.41Å; M154-I157 WeakPolarHBondContact O-CG1 3.35Å; M154-I157 PolarHBondContact O-N 2.8Å; M154-I157 VanDerWaalsContact O-N 3.17Å; M154-I157 HydrophobicContact SD-CD1 3.85Å; M154-N158 PolarHBondContact O-OD1 2.78Å | ||
| 155 | E | 76.3 | Confident | 90.9 | Very high | 68 Ų | 68 | 55.3 Ų | 55.3 | 32% | 0.318 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -49.5 | -39.7 | -177.6 | -59.2 | 177.3 | 164.1 | 0 | 0 | 115.4 | I157 N158 K182 | E155-I157 PolarHBondContact O-N 2.84Å; E155-N158 WeakPolarHBondContact O-CB 3.38Å; E155-N158 PolarHBondContact O-N 2.78Å; E155-K182 HydrophobicContact CB-CB 4.31Å; E155-K182 HydrophobicContact CB-CG 4.02Å; E155-K182 VanDerWaalsContact CD-CG 3.49Å; E155-K182 HydrophobicContact CG-CG 3.99Å; E155-K182 WeakPolarHBondContact OE1-CE 3.33Å; E155-K182 IonicContact OE1-NZ 2.72Å; E155-K182 PolarHBondContact OE1-NZ 2.84Å; E155-K182 WeakPolarHBondContact OE2-CD 3.36Å; E155-K182 WeakPolarHBondContact OE2-CE 3.48Å; E155-K182 WeakPolarHBondContact OE2-CG 3.49Å; E155-K182 IonicContact OE2-NZ 2.66Å; E155-K182 PolarHBondContact OE2-NZ 2.84Å |
| 156 | P | 78.9 | Confident | 90.8 | Very high | 119 Ų | 119 | 55.6 Ų | 55.6 | 77% | 0.773 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -66.6 | -19.2 | -176.9 | -22.8 | 35.3 | 0 | 0 | 0 | 114.9 | M154 | M154-P156 VanDerWaalsContact C-N 3.34Š|
| 157 | I | 84.5 | Confident | 90.7 | Very high | 77 Ų | 77 | 57.9 Ų | 57.9 | 40% | 0.395 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -103.9 | 1.9 | -178.4 | 61.1 | 162.5 | 0 | 0 | 0 | 112.5 | F149 M154 E155 H159 | F149-I157 HydrophobicContact CD1-CD1 4.32Å; F149-I157 HydrophobicContact CD1-CG1 4.39Å; F149-I157 WeakPolarHBondContact CD1-O 3.28Å; F149-I157 HydrophobicContact CE1-CD1 3.38Å; F149-I157 HydrophobicContact CE1-CG1 3.75Å; F149-I157 HydrophobicContact CZ-CD1 3.87Å; M154-I157 HydrophobicContact CB-CD1 3.72Å; M154-I157 HydrophobicContact CB-CG1 3.65Å; M154-I157 HydrophobicContact CE-CD1 3.58Å; M154-I157 HydrophobicContact CE-CG1 4.45Å; M154-I157 HydrophobicContact CG-CD1 4.41Å; M154-I157 WeakPolarHBondContact O-CG1 3.35Å; M154-I157 PolarHBondContact O-N 2.8Å; M154-I157 VanDerWaalsContact O-N 3.17Å; M154-I157 HydrophobicContact SD-CD1 3.85Å; E155-I157 PolarHBondContact O-N 2.84Å; I157-H159 PolarHBondContact O-N 2.82Å; I157-H159 PolarHBondContact O-ND1 3.07Å |
| 158 | N | 89.9 | Confident | 90.5 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | trans | -66.8 | 126.8 | 176.2 | -71.4 | -11.9 | 0 | 0 | 0 | 109.9 | F149 Y150 C151 M154 E155 Y180 G181 | F149-N158 WeakPolarHBondContact O-CA 3.38Å; Y150-N158 WeakPolarHBondContact CA-OD1 3.48Å; C151-N158 PolarHBondContact N-OD1 2.79Å; C151-N158 PolarHBondContact O-ND2 2.79Å; C151-N158 PolarHBondContact O-OD1 2.87Å; M154-N158 PolarHBondContact O-OD1 2.78Å; E155-N158 WeakPolarHBondContact O-CB 3.38Å; E155-N158 PolarHBondContact O-N 2.78Å; N158-Y180 WeakPolarHBondContact O-CA 3.33Å; N158-G181 WeakPolarHBondContact CB-O 3.41Å; N158-G181 PolarHBondContact O-N 2.8Å | ||
| 159 | H | 92.3 | Very high | 90.1 | Very high | 43 Ų | 43 | 60.8 Ų | 60.8 | 20% | 0.199 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 158.6 | -174.6 | 66.8 | -85.9 | 0 | 0 | 0 | 113.5 | H147 F149 I157 L178 S179 | H147-H159 AromaticContact CD2-CD2 3.98Å; H147-H159 AromaticContact CD2-NE2 3.21Å; H147-H159 PolarHBondContact CD2-NE2 2.77Å; H147-H159 AromaticContact NE2-CE1 3.93Å; H147-H159 AromaticContact NE2-NE2 3.35Å; H147-H159 PolarHBondContact NE2-NE2 3.28Å; F149-H159 PolarHBondContact N-O 3.23Å; F149-H159 PolarHBondContact O-N 2.82Å; I157-H159 PolarHBondContact O-N 2.82Å; I157-H159 PolarHBondContact O-ND1 3.07Å; H159-L178 HydrophobicContact CB-CD1 4.3Å; H159-S179 CarbonylContact C-O 3.42Å; H159-S179 VanDerWaalsContact CA-O 3.23Å; H159-S179 WeakPolarHBondContact CA-O 3.47Å |
| 160 | K | 93.7 | Very high | 89.9 | Confident | 72 Ų | 72 | 61.8 Ų | 61.8 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 123.2 | 173.3 | 174 | 163.5 | 179.8 | 158.3 | 0 | 109.2 | H147 E148 L178 S179 W184 | H147-K160 CarbonylContact O-C 3.55Å; H147-K160 WeakPolarHBondContact O-CA 3.47Å; E148-K160 HydrophobicContact CG-CB 4.47Å; E148-K160 HydrophobicContact CG-CD 4.04Å; E148-K160 HydrophobicContact CG-CG 4.01Å; E148-K160 WeakPolarHBondContact OE1-CE 3.46Å; E148-K160 IonicContact OE1-NZ 2.72Å; E148-K160 PolarHBondContact OE1-NZ 2.85Å; K160-L178 WeakPolarHBondContact O-CA 3.46Å; K160-S179 PolarHBondContact N-O 2.8Å; K160-S179 PolarHBondContact O-N 2.86Å; K160-W184 HydrophobicContact CB-CD2 4.15Å; K160-W184 HydrophobicContact CB-CE3 3.98Å; K160-W184 HydrophobicContact CB-CZ3 4.34Å; K160-W184 HydrophobicContact CD-CE3 3.78Å; K160-W184 HydrophobicContact CD-CH2 3.88Å; K160-W184 HydrophobicContact CD-CZ3 3.37Å |
| 161 | I | 95.1 | Very high | 90 | Very high | 48 Ų | 48 | 60.9 Ų | 60.9 | 25% | 0.246 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 126.7 | 179.6 | -40.6 | -167.6 | 0 | 0 | 0 | 108.4 | D146 H147 L176 D177 L178 | D146-I161 CarbonylContact C-O 3.54Å; D146-I161 WeakPolarHBondContact CA-O 3.37Å; H147-I161 HydrophobicContact CB-CB 4.21Å; H147-I161 HydrophobicContact CB-CG1 4.34Å; H147-I161 PolarHBondContact N-O 2.84Å; H147-I161 PolarHBondContact O-N 2.88Å; I161-L176 HydrophobicContact CG2-CD1 3.43Å; I161-L176 VanDerWaalsContact CG2-CD1 3.43Å; I161-D177 CarbonylContact C-O 3.57Å; I161-D177 WeakPolarHBondContact CA-O 3.3Å; I161-L178 HydrophobicContact CD1-CD1 4.24Å; I161-L178 HydrophobicContact CG1-CD1 3.79Å |
| 162 | H | 96.3 | Very high | 90.2 | Very high | 64 Ų | 64 | 63.9 Ų | 63.9 | 30% | 0.296 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 112.8 | 168.6 | -179.2 | 73.3 | 0 | 0 | 0 | 108.9 | D146 L176 D177 | D146-H162 IonicContact OD1-CE1 3.89Å; D146-H162 PolarHBondContact OD1-CE1 2.87Å; D146-H162 IonicContact OD1-CG 3.91Å; D146-H162 IonicContact OD1-ND1 2.76Å; D146-H162 PolarHBondContact OD1-ND1 2.95Å; H162-L176 WeakPolarHBondContact O-CA 3.32Å; H162-D177 HydrophobicContact CB-CB 4.25Å; H162-D177 PolarHBondContact N-O 2.83Å; H162-D177 PolarHBondContact O-N 2.86Å |
| 163 | M | 96.8 | Very high | 90.6 | Very high | 72 Ų | 72 | 66.1 Ų | 66.1 | 36% | 0.355 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.1 | 176.1 | -176.6 | -176.9 | -177.1 | 0 | 0 | 109.7 | M143 R144 A145 V175 L176 | M143-M163 HydrophobicContact CE-CE 3.88Å; M143-M163 HydrophobicContact CE-SD 3.98Å; R144-M163 CarbonylContact C-O 3.49Å; R144-M163 WeakPolarHBondContact CA-O 3.41Å; A145-M163 HydrophobicContact CB-CB 4.3Å; A145-M163 PolarHBondContact N-O 2.9Å; A145-M163 PolarHBondContact O-N 2.85Å; M163-V175 CarbonylContact C-O 3.51Å; M163-V175 WeakPolarHBondContact CA-O 3.42Å; M163-L176 HydrophobicContact CB-CD1 4.25Å |
| 164 | K | 96.3 | Very high | 91.3 | Very high | 54 Ų | 54 | 63 Ų | 63 | 24% | 0.235 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 125.8 | 174.9 | -174.2 | -176.6 | -179.9 | -157.4 | 0 | 109.5 | M143 R144 E166 S174 V175 | M143-K164 WeakPolarHBondContact O-CA 3.18Å; R144-K164 HydrophobicContact CG-CG 4.32Å; K164-E166 WeakPolarHBondContact CE-OE1 3.35Å; K164-E166 IonicContact NZ-OE1 2.68Å; K164-E166 PolarHBondContact NZ-OE1 2.85Å; K164-E166 IonicContact NZ-OE2 2.8Å; K164-S174 CarbonylContact O-C 3.48Å; K164-S174 WeakPolarHBondContact O-CA 3.38Å; K164-V175 PolarHBondContact N-O 2.61Å; K164-V175 PolarHBondContact O-N 3.47Å |
| 165 | H | 96.2 | Very high | 92 | Very high | 36 Ų | 36 | 59.7 Ų | 59.7 | 17% | 0.167 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128.2 | 176.1 | -179.8 | 69 | 0 | 0 | 0 | 109.9 | I142 M143 K173 S174 | I142-H165 WeakPolarHBondContact CA-O 3.38Å; M143-H165 HydrophobicContact CB-CB 4.35Å; M143-H165 HydrophobicContact CE-CB 3.89Å; M143-H165 PolarHBondContact N-O 3.42Å; M143-H165 PolarHBondContact O-N 3.32Å; H165-K173 CarbonylContact C-O 3.5Å; H165-K173 WeakPolarHBondContact CA-O 3.29Å; H165-S174 PolarHBondContact ND1-OG 2.77Å |
| 166 | E | 95.2 | Very high | 93 | Very high | 35 Ų | 35 | 59 Ų | 59 | 16% | 0.164 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.1 | 177.5 | -62.4 | 177 | 152.6 | 0 | 0 | 108.4 | Y141 I142 K164 I172 K173 | Y141-E166 CarbonylContact O-C 3.57Å; Y141-E166 WeakPolarHBondContact O-CA 3.39Å; I142-E166 HydrophobicContact CG1-CG 4.41Å; K164-E166 WeakPolarHBondContact CE-OE1 3.35Å; K164-E166 IonicContact NZ-OE1 2.68Å; K164-E166 PolarHBondContact NZ-OE1 2.85Å; K164-E166 IonicContact NZ-OE2 2.8Å; E166-I172 CarbonylContact O-C 3.58Å; E166-I172 WeakPolarHBondContact O-CA 3.38Å; E166-K173 HydrophobicContact CB-CB 4.4Å; E166-K173 PolarHBondContact N-O 2.84Å; E166-K173 PolarHBondContact O-N 3.24Å |
| 167 | E | 94.6 | Very high | 93.8 | Very high | 93 Ų | 93 | 56.3 Ų | 56.3 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 128.3 | -179.6 | -179.7 | -177.1 | -169.4 | 0 | 0 | 110.4 | T140 Y141 I172 | T140-E167 CarbonylContact C-O 3.58Å; T140-E167 WeakPolarHBondContact CA-O 3.47Å; T140-E167 WeakPolarHBondContact CG2-O 3.31Å; Y141-E167 PolarHBondContact N-O 2.82Å; Y141-E167 PolarHBondContact O-N 2.65Å; E167-I172 HydrophobicContact CG-CG1 4.36Å |
| 168 | S | 91.6 | Very high | 94.2 | Very high | 17 Ų | 17 | 54.5 Ų | 54.5 | 12% | 0.119 | 28% | 0.284 | C | S | . | . | trans | -145.5 | 169.5 | 172.4 | 75.1 | 0 | 0 | 0 | 0 | 109.8 | S170 H171 | S168-S170 PolarHBondContact O-N 2.87Å; S168-S170 VanDerWaalsContact O-N 3.16Å; S168-S170 PolarHBondContact OG-N 2.82Å; S168-S170 PolarHBondContact OG-OG 2.78Å; S168-H171 PolarHBondContact N-O 3Å; S168-H171 PolarHBondContact O-N 2.87Å; S168-H171 VanDerWaalsContact O-O 3.07Å; S168-H171 PolarHBondContact OG-CE1 3.19Å; S168-H171 VanDerWaalsContact OG-CG 3.32Å; S168-H171 PolarHBondContact OG-N 2.93Å; S168-H171 PolarHBondContact OG-ND1 2.88Å; S168-H171 PolarHBondContact OG-O 2.86Å; S168-H171 VanDerWaalsContact OG-O 3.09Å | ||
| 169 | P | 87.1 | Confident | 94.3 | Very high | 127 Ų | 127 | 54.9 Ų | 54.9 | 83% | 0.825 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -59.2 | -25.9 | 175.2 | -24.9 | 35.2 | 0 | 0 | 0 | 114.5 | ||
| 170 | S | 90 | Very high | 94.1 | Very high | 64 Ų | 64 | 57.2 Ų | 57.2 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -105 | -15.1 | -176 | 62.6 | 0 | 0 | 0 | 0 | 114.1 | S168 N201 | S168-S170 PolarHBondContact O-N 2.87Å; S168-S170 VanDerWaalsContact O-N 3.16Å; S168-S170 PolarHBondContact OG-N 2.82Å; S168-S170 PolarHBondContact OG-OG 2.78Å; S170-N201 PolarHBondContact O-N 3.16Å |
| 171 | H | 92.7 | Very high | 93.6 | Very high | 54 Ų | 54 | 54.1 Ų | 54.1 | 25% | 0.25 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 146.4 | 179.5 | 72.6 | -88.9 | 0 | 0 | 0 | 112.7 | S168 F199 K200 | S168-H171 PolarHBondContact N-O 3Å; S168-H171 PolarHBondContact O-N 2.87Å; S168-H171 VanDerWaalsContact O-O 3.07Å; S168-H171 PolarHBondContact OG-CE1 3.19Å; S168-H171 VanDerWaalsContact OG-CG 3.32Å; S168-H171 PolarHBondContact OG-N 2.93Å; S168-H171 PolarHBondContact OG-ND1 2.88Å; S168-H171 PolarHBondContact OG-O 2.86Å; S168-H171 VanDerWaalsContact OG-O 3.09Å; H171-F199 CarbonylContact C-O 3.52Å; H171-F199 VanDerWaalsContact CA-O 3.24Å; H171-F199 WeakPolarHBondContact CA-O 3.39Å; H171-K200 HydrophobicContact CB-CG 4.46Å |
| 172 | I | 94.9 | Very high | 92.6 | Very high | 66 Ų | 66 | 55.7 Ų | 55.7 | 34% | 0.338 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 129.2 | 168.3 | -57 | 176.6 | 0 | 0 | 0 | 107.1 | E166 E167 S198 F199 | E166-I172 CarbonylContact O-C 3.58Å; E166-I172 WeakPolarHBondContact O-CA 3.38Å; E167-I172 HydrophobicContact CG-CG1 4.36Å; I172-S198 CarbonylContact O-C 3.51Å; I172-S198 WeakPolarHBondContact O-CA 3.36Å; I172-F199 HydrophobicContact CB-CB 4.38Å; I172-F199 PolarHBondContact N-O 2.83Å; I172-F199 PolarHBondContact O-N 3.13Å |
| 173 | K | 95.9 | Very high | 91.4 | Very high | 86 Ų | 86 | 55.4 Ų | 55.4 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 125.6 | 178.2 | -174.4 | 179.5 | 178.5 | -177.9 | 0 | 110.3 | H165 E166 V175 Q197 | H165-K173 CarbonylContact C-O 3.5Å; H165-K173 WeakPolarHBondContact CA-O 3.29Å; E166-K173 HydrophobicContact CB-CB 4.4Å; E166-K173 PolarHBondContact N-O 2.84Å; E166-K173 PolarHBondContact O-N 3.24Å; K173-V175 HydrophobicContact CG-CG2 4.29Å; K173-Q197 CarbonylContact C-O 3.53Å; K173-Q197 WeakPolarHBondContact CA-O 3.4Å |
| 174 | S | 96.8 | Very high | 90 | Very high | 29 Ų | 29 | 54 Ų | 54 | 20% | 0.203 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 131.2 | 174.3 | -62.3 | 0 | 0 | 0 | 0 | 109 | K164 H165 S196 Q197 | K164-S174 CarbonylContact O-C 3.48Å; K164-S174 WeakPolarHBondContact O-CA 3.38Å; H165-S174 PolarHBondContact ND1-OG 2.77Å; S174-S196 CarbonylContact O-C 3.51Å; S174-S196 WeakPolarHBondContact O-CA 2.88Å; S174-Q197 PolarHBondContact N-O 3.01Å; S174-Q197 PolarHBondContact O-N 3.27Å; S174-Q197 VanDerWaalsContact O-O 3.12Å |
| 175 | V | 97.4 | Very high | 88.8 | Confident | 28 Ų | 28 | 56.3 Ų | 56.3 | 17% | 0.17 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 130.9 | 175.4 | -174.8 | 0 | 0 | 0 | 0 | 107.7 | M163 K164 K173 L194 L195 | M163-V175 CarbonylContact C-O 3.51Å; M163-V175 WeakPolarHBondContact CA-O 3.42Å; K164-V175 PolarHBondContact N-O 2.61Å; K164-V175 PolarHBondContact O-N 3.47Å; K173-V175 HydrophobicContact CG-CG2 4.29Å; V175-L194 HydrophobicContact CG1-CD1 3.88Å; V175-L195 CarbonylContact C-O 3.56Å; V175-L195 WeakPolarHBondContact CA-O 3.06Å |
| 176 | L | 97.1 | Very high | 87.6 | Confident | 55 Ų | 55 | 59.2 Ų | 59.2 | 29% | 0.288 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 117.7 | 173.3 | 174.7 | 71.2 | 0 | 0 | 0 | 107.3 | I161 H162 M163 L195 | I161-L176 HydrophobicContact CG2-CD1 3.43Å; I161-L176 VanDerWaalsContact CG2-CD1 3.43Å; H162-L176 WeakPolarHBondContact O-CA 3.32Å; M163-L176 HydrophobicContact CB-CD1 4.25Å; L176-L195 HydrophobicContact CB-CB 4.23Å; L176-L195 HydrophobicContact CD2-CD2 4.23Å; L176-L195 PolarHBondContact N-O 3.41Å; L176-L195 PolarHBondContact O-N 2.85Å |
| 177 | D | 95.3 | Very high | 86.3 | Confident | 61 Ų | 61 | 65.2 Ų | 65.2 | 33% | 0.326 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 117.6 | 172.9 | 177.3 | -1.1 | 0 | 0 | 0 | 107.6 | I161 H162 L194 | I161-D177 CarbonylContact C-O 3.57Å; I161-D177 WeakPolarHBondContact CA-O 3.3Å; H162-D177 HydrophobicContact CB-CB 4.25Å; H162-D177 PolarHBondContact N-O 2.83Å; H162-D177 PolarHBondContact O-N 2.86Å; D177-L194 HydrophobicContact CB-CD1 4.15Å |
| 178 | L | 93.9 | Very high | 84.8 | Confident | 40 Ų | 40 | 67.1 Ų | 67.1 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 117.6 | 179.7 | 171.5 | 69.4 | 0 | 0 | 0 | 108.5 | H159 K160 I161 Y180 T192 L193 | H159-L178 HydrophobicContact CB-CD1 4.3Å; K160-L178 WeakPolarHBondContact O-CA 3.46Å; I161-L178 HydrophobicContact CD1-CD1 4.24Å; I161-L178 HydrophobicContact CG1-CD1 3.79Å; L178-Y180 HydrophobicContact CD2-CD1 4.3Å; L178-Y180 HydrophobicContact CG-CD1 4.18Å; L178-T192 CarbonylContact O-C 3.56Å; L178-T192 WeakPolarHBondContact O-CA 3.22Å; L178-L193 HydrophobicContact CB-CB 4.2Å; L178-L193 HydrophobicContact CD2-CD2 4Å; L178-L193 PolarHBondContact N-O 2.83Å; L178-L193 PolarHBondContact O-N 3.05Å |
| 179 | S | 91.1 | Very high | 83.6 | Confident | 9 Ų | 9 | 70 Ų | 70 | 6% | 0.063 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 131.5 | 168.6 | -63.6 | 0 | 0 | 0 | 0 | 109.2 | H159 K160 K190 Y191 | H159-S179 CarbonylContact C-O 3.42Å; H159-S179 VanDerWaalsContact CA-O 3.23Å; H159-S179 WeakPolarHBondContact CA-O 3.47Å; K160-S179 PolarHBondContact N-O 2.8Å; K160-S179 PolarHBondContact O-N 2.86Å; S179-K190 WeakPolarHBondContact OG-CE 3.07Å; S179-Y191 CarbonylContact C-O 3.51Å; S179-Y191 VanDerWaalsContact CA-O 3.27Å; S179-Y191 WeakPolarHBondContact CA-O 3.38Å |
| 180 | Y | 88.4 | Confident | 83.1 | Confident | 92 Ų | 92 | 67.9 Ų | 67.9 | 36% | 0.361 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 162.3 | 179.8 | 67.9 | -83.4 | 0 | 0 | 0 | 111.6 | N158 L178 Y191 | N158-Y180 WeakPolarHBondContact O-CA 3.33Å; L178-Y180 HydrophobicContact CD2-CD1 4.3Å; L178-Y180 HydrophobicContact CG-CD1 4.18Å; Y180-Y191 HydrophobicContact CD2-CD2 4.3Å; Y180-Y191 HydrophobicContact CD2-CG 4.37Å; Y180-Y191 VanDerWaalsContact CE1-CB 3.47Å; Y180-Y191 HydrophobicContact CE2-CD2 4.03Å; Y180-Y191 AromaticContact CE2-CG 3.8Å; Y180-Y191 HydrophobicContact CE2-CG 3.8Å; Y180-Y191 AromaticContact CZ-CG 3.91Å; Y180-Y191 PolarHBondContact N-O 2.89Å; Y180-Y191 WeakPolarHBondContact O-CB 3.29Å; Y180-Y191 PolarHBondContact O-N 2.84Å |
| 181 | G | 82.2 | Confident | 83 | Confident | 7 Ų | 7 | 69.3 Ų | 69.3 | 7% | 0.072 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 131.7 | 177.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N158 H183 | N158-G181 WeakPolarHBondContact CB-O 3.41Å; N158-G181 PolarHBondContact O-N 2.8Å; G181-H183 VanDerWaalsContact C-N 3.27Å; G181-H183 PolarHBondContact O-N 2.82Å |
| 182 | K | 74 | Confident | 82.9 | Confident | 81 Ų | 81 | 68.3 Ų | 68.3 | 35% | 0.352 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -41.2 | -175.7 | -178.3 | 170.6 | 174.5 | 128.9 | 0 | 112.4 | E155 N189 | E155-K182 HydrophobicContact CB-CB 4.31Å; E155-K182 HydrophobicContact CB-CG 4.02Å; E155-K182 VanDerWaalsContact CD-CG 3.49Å; E155-K182 HydrophobicContact CG-CG 3.99Å; E155-K182 WeakPolarHBondContact OE1-CE 3.33Å; E155-K182 IonicContact OE1-NZ 2.72Å; E155-K182 PolarHBondContact OE1-NZ 2.84Å; E155-K182 WeakPolarHBondContact OE2-CD 3.36Å; E155-K182 WeakPolarHBondContact OE2-CE 3.48Å; E155-K182 WeakPolarHBondContact OE2-CG 3.49Å; E155-K182 IonicContact OE2-NZ 2.66Å; E155-K182 PolarHBondContact OE2-NZ 2.84Å; K182-N189 WeakPolarHBondContact CB-ND2 3.19Å |
| 183 | H | 71.2 | Confident | 82.8 | Confident | 57 Ų | 57 | 67.4 Ų | 67.4 | 26% | 0.264 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.4 | 86.2 | 173.8 | -61.2 | -69.3 | 0 | 0 | 0 | 109.2 | G181 D185 E186 | G181-H183 VanDerWaalsContact C-N 3.27Å; G181-H183 PolarHBondContact O-N 2.82Å; H183-D185 PolarHBondContact O-N 2.85Å; H183-E186 HydrophobicContact CB-CB 3.69Å; H183-E186 HydrophobicContact CB-CG 3.77Å; H183-E186 IonicContact CD2-OE2 3.97Å; H183-E186 IonicContact CG-OE1 2.93Å; H183-E186 IonicContact CG-OE2 3.83Å; H183-E186 IonicContact ND1-OE1 2.61Å; H183-E186 PolarHBondContact O-N 2.79Å |
| 184 | W | 68.9 | Low | 82.7 | Confident | 43 Ų | 43 | 66.1 Ų | 66.1 | 16% | 0.163 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -67.3 | -17.2 | 179.3 | 62.8 | -98.3 | 0 | 0 | 0 | 113 | K160 K190 | K160-W184 HydrophobicContact CB-CD2 4.15Å; K160-W184 HydrophobicContact CB-CE3 3.98Å; K160-W184 HydrophobicContact CB-CZ3 4.34Å; K160-W184 HydrophobicContact CD-CE3 3.78Å; K160-W184 HydrophobicContact CD-CH2 3.88Å; K160-W184 HydrophobicContact CD-CZ3 3.37Å; W184-K190 VanDerWaalsContact O-CD 3.24Å; W184-K190 WeakPolarHBondContact O-CD 3.24Å; W184-K190 WeakPolarHBondContact O-CE 3.48Å |
| 185 | D | 70.4 | Confident | 82.7 | Confident | 102 Ų | 102 | 67.4 Ų | 67.4 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -91 | -21 | 179.5 | 58 | -38.2 | 0 | 0 | 0 | 113.3 | H183 | H183-D185 PolarHBondContact O-N 2.85Š|
| 186 | E | 71.6 | Confident | 82.7 | Confident | 97 Ų | 97 | 66.8 Ų | 66.8 | 45% | 0.453 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -93.3 | 145.7 | 175.6 | -62.4 | 179.6 | -176.8 | 0 | 0 | 111.2 | H183 N188 K190 | H183-E186 HydrophobicContact CB-CB 3.69Å; H183-E186 HydrophobicContact CB-CG 3.77Å; H183-E186 IonicContact CD2-OE2 3.97Å; H183-E186 IonicContact CG-OE1 2.93Å; H183-E186 IonicContact CG-OE2 3.83Å; H183-E186 IonicContact ND1-OE1 2.61Å; H183-E186 PolarHBondContact O-N 2.79Å; E186-N188 VanDerWaalsContact C-N 3.27Å; E186-N188 PolarHBondContact O-N 2.86Å; E186-K190 WeakPolarHBondContact O-CB 3.45Å |
| 187 | I | 66.4 | Low | 82.6 | Confident | 162 Ų | 162 | 69.1 Ų | 69.1 | 83% | 0.831 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -67.3 | -33.6 | -179.5 | -62.4 | 170.3 | 0 | 0 | 0 | 110.8 | ||
| 188 | N | 63.8 | Low | 82.7 | Confident | 133 Ų | 133 | 66.8 Ų | 66.8 | 71% | 0.711 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 123.8 | 176.3 | -69.5 | -20.7 | 0 | 0 | 0 | 109 | E186 | E186-N188 VanDerWaalsContact C-N 3.27Å; E186-N188 PolarHBondContact O-N 2.86Å |
| 189 | N | 65.9 | Low | 82.8 | Confident | 77 Ų | 77 | 68.4 Ų | 68.4 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 18.3 | 178 | -150 | 12.4 | 0 | 0 | 0 | 116.4 | K182 | K182-N189 WeakPolarHBondContact CB-ND2 3.19Š|
| 190 | K | 78 | Confident | 83 | Confident | 83 Ų | 83 | 72.5 Ų | 72.5 | 36% | 0.361 | 35% | 0.351 | S | S | . | . | trans | -90.6 | 125.8 | 167.9 | 177.5 | -175.4 | -173.6 | 175.2 | 0 | 110.7 | S179 W184 E186 T192 | S179-K190 WeakPolarHBondContact OG-CE 3.07Å; W184-K190 VanDerWaalsContact O-CD 3.24Å; W184-K190 WeakPolarHBondContact O-CD 3.24Å; W184-K190 WeakPolarHBondContact O-CE 3.48Å; E186-K190 WeakPolarHBondContact O-CB 3.45Å; K190-T192 HydrophobicContact CD-CG2 4.16Å; K190-T192 HydrophobicContact CG-CG2 4.03Å | ||
| 191 | Y | 87.3 | Confident | 83.3 | Confident | 93 Ų | 93 | 70.5 Ų | 70.5 | 37% | 0.365 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 139.9 | 169.6 | -59.6 | -90.1 | 0 | 0 | 0 | 110.1 | S179 Y180 E220 | S179-Y191 CarbonylContact C-O 3.51Å; S179-Y191 VanDerWaalsContact CA-O 3.27Å; S179-Y191 WeakPolarHBondContact CA-O 3.38Å; Y180-Y191 HydrophobicContact CD2-CD2 4.3Å; Y180-Y191 HydrophobicContact CD2-CG 4.37Å; Y180-Y191 VanDerWaalsContact CE1-CB 3.47Å; Y180-Y191 HydrophobicContact CE2-CD2 4.03Å; Y180-Y191 AromaticContact CE2-CG 3.8Å; Y180-Y191 HydrophobicContact CE2-CG 3.8Å; Y180-Y191 AromaticContact CZ-CG 3.91Å; Y180-Y191 PolarHBondContact N-O 2.89Å; Y180-Y191 WeakPolarHBondContact O-CB 3.29Å; Y180-Y191 PolarHBondContact O-N 2.84Å; Y191-E220 VanDerWaalsContact CA-OE1 3.27Å; Y191-E220 WeakPolarHBondContact CA-OE1 3.18Å; Y191-E220 HydrophobicContact CD1-CB 3.88Å; Y191-E220 HydrophobicContact CD1-CG 3.52Å; Y191-E220 HydrophobicContact CE1-CB 4.24Å; Y191-E220 HydrophobicContact CE1-CG 4.12Å; Y191-E220 HydrophobicContact CG-CG 4.32Å |
| 192 | T | 89.6 | Confident | 83.7 | Confident | 34 Ų | 34 | 76 Ų | 76 | 21% | 0.209 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 134.5 | -173.8 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | L178 K190 P219 E220 | L178-T192 CarbonylContact O-C 3.56Å; L178-T192 WeakPolarHBondContact O-CA 3.22Å; K190-T192 HydrophobicContact CD-CG2 4.16Å; K190-T192 HydrophobicContact CG-CG2 4.03Å; T192-P219 VanDerWaalsContact O-CD 3.28Å; T192-P219 WeakPolarHBondContact O-CD 3.45Å; T192-P219 WeakPolarHBondContact OG1-CD 3.37Å; T192-P219 WeakPolarHBondContact OG1-CG 3.5Å; T192-E220 VanDerWaalsContact N-CD 3.29Å; T192-E220 PolarHBondContact N-OE1 2.81Å; T192-E220 PolarHBondContact N-OE2 2.8Å; T192-E220 PolarHBondContact OG1-OE1 2.83Å |
| 193 | L | 92.8 | Very high | 84.6 | Confident | 46 Ų | 46 | 74.1 Ų | 74.1 | 24% | 0.241 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 115 | 175.5 | 170.9 | 73.8 | 0 | 0 | 0 | 107.8 | L178 L216 V218 | L178-L193 HydrophobicContact CB-CB 4.2Å; L178-L193 HydrophobicContact CD2-CD2 4Å; L178-L193 PolarHBondContact N-O 2.83Å; L178-L193 PolarHBondContact O-N 3.05Å; L193-L216 HydrophobicContact CD1-CD1 3.47Å; L193-L216 VanDerWaalsContact CD1-CD1 3.47Å; L193-V218 HydrophobicContact CD1-CG2 3.58Å |
| 194 | L | 94.8 | Very high | 85.5 | Confident | 59 Ų | 59 | 75.8 Ų | 75.8 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.7 | 174.2 | -178.1 | 70.3 | 0 | 0 | 0 | 109.6 | V175 D177 L216 Q217 | V175-L194 HydrophobicContact CG1-CD1 3.88Å; D177-L194 HydrophobicContact CB-CD1 4.15Å; L194-L216 WeakPolarHBondContact O-CA 3.45Å; L194-Q217 HydrophobicContact CB-CB 4.24Å; L194-Q217 PolarHBondContact N-O 2.78Å; L194-Q217 PolarHBondContact O-N 3.03Å |
| 195 | L | 96.7 | Very high | 86.3 | Confident | 56 Ų | 56 | 82.6 Ų | 82.6 | 29% | 0.293 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 123.2 | 175.1 | 178.1 | 70.9 | 0 | 0 | 0 | 108.7 | V175 L176 F214 L216 | V175-L195 CarbonylContact C-O 3.56Å; V175-L195 WeakPolarHBondContact CA-O 3.06Å; L176-L195 HydrophobicContact CB-CB 4.23Å; L176-L195 HydrophobicContact CD2-CD2 4.23Å; L176-L195 PolarHBondContact N-O 3.41Å; L176-L195 PolarHBondContact O-N 2.85Å; L195-F214 HydrophobicContact CD1-CD2 4.43Å; L195-F214 HydrophobicContact CD1-CE1 4.36Å; L195-F214 HydrophobicContact CD1-CE2 3.4Å; L195-F214 VanDerWaalsContact CD1-CE2 3.4Å; L195-F214 HydrophobicContact CD1-CZ 3.35Å; L195-L216 HydrophobicContact CD1-CD1 4.37Å |
| 196 | S | 96.7 | Very high | 87.1 | Confident | 15 Ų | 15 | 81.5 Ų | 81.5 | 11% | 0.105 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 131.6 | 176.3 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | S174 F214 N215 | S174-S196 CarbonylContact O-C 3.51Å; S174-S196 WeakPolarHBondContact O-CA 2.88Å; S196-F214 CarbonylContact O-C 3.56Å; S196-F214 WeakPolarHBondContact O-CA 3.14Å; S196-N215 PolarHBondContact N-O 2.79Å; S196-N215 PolarHBondContact O-N 3.3Å |
| 197 | Q | 96.4 | Very high | 88 | Confident | 104 Ų | 104 | 79.9 Ų | 79.9 | 49% | 0.486 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 133.8 | 172.4 | -178.1 | -177.3 | 9.9 | 0 | 0 | 108.3 | K173 S174 E213 | K173-Q197 CarbonylContact C-O 3.53Å; K173-Q197 WeakPolarHBondContact CA-O 3.4Å; S174-Q197 PolarHBondContact N-O 3.01Å; S174-Q197 PolarHBondContact O-N 3.27Å; S174-Q197 VanDerWaalsContact O-O 3.12Å; Q197-E213 CarbonylContact C-O 3.51Å; Q197-E213 WeakPolarHBondContact CA-O 3.44Å |
| 198 | S | 96.7 | Very high | 89.3 | Confident | 13 Ų | 13 | 74 Ų | 74 | 9% | 0.091 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 138.4 | 172.9 | 72.3 | 0 | 0 | 0 | 0 | 111.3 | I172 L212 E213 | I172-S198 CarbonylContact O-C 3.51Å; I172-S198 WeakPolarHBondContact O-CA 3.36Å; S198-L212 CarbonylContact O-C 3.52Å; S198-L212 WeakPolarHBondContact O-CA 3.15Å; S198-E213 PolarHBondContact N-O 2.9Å; S198-E213 PolarHBondContact O-N 2.93Å; S198-E213 WeakPolarHBondContact OG-CB 3.45Å |
| 199 | F | 96.4 | Very high | 90.8 | Very high | 74 Ų | 74 | 68.5 Ų | 68.5 | 33% | 0.325 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 129 | 171.8 | 174 | -100.5 | 0 | 0 | 0 | 107.8 | H171 I172 N201 Y210 T211 L212 | H171-F199 CarbonylContact C-O 3.52Å; H171-F199 VanDerWaalsContact CA-O 3.24Å; H171-F199 WeakPolarHBondContact CA-O 3.39Å; I172-F199 HydrophobicContact CB-CB 4.38Å; I172-F199 PolarHBondContact N-O 2.83Å; I172-F199 PolarHBondContact O-N 3.13Å; F199-N201 HydrophobicContact CE1-CB 3.99Å; F199-N201 HydrophobicContact CZ-CB 4.35Å; F199-Y210 HydrophobicContact CE2-CD1 4.12Å; F199-Y210 HydrophobicContact CE2-CG 4.38Å; F199-Y210 AromaticContact CZ-CD1 3.68Å; F199-Y210 HydrophobicContact CZ-CD1 3.68Å; F199-Y210 HydrophobicContact CZ-CE1 4.32Å; F199-Y210 HydrophobicContact CZ-CG 4.37Å; F199-T211 CarbonylContact C-O 3.59Å; F199-T211 WeakPolarHBondContact CA-O 3.34Å; F199-L212 HydrophobicContact CB-CD1 4.41Å |
| 200 | K | 95.1 | Very high | 92.2 | Very high | 95 Ų | 95 | 68.9 Ų | 68.9 | 41% | 0.413 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.3 | 176.9 | -64.6 | 178.8 | -178.3 | 174.8 | 0 | 108.9 | H171 Y210 T211 | H171-K200 HydrophobicContact CB-CG 4.46Å; K200-Y210 WeakPolarHBondContact O-CA 3.41Å; K200-T211 PolarHBondContact N-O 3.13Å; K200-T211 PolarHBondContact O-N 3.33Å |
| 201 | N | 93.6 | Very high | 93.1 | Very high | 49 Ų | 49 | 65.7 Ų | 65.7 | 26% | 0.262 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 110.2 | 172.1 | -177.8 | 4 | 0 | 0 | 0 | 108.7 | S170 F199 S203 Y210 | S170-N201 PolarHBondContact O-N 3.16Å; F199-N201 HydrophobicContact CE1-CB 3.99Å; F199-N201 HydrophobicContact CZ-CB 4.35Å; N201-S203 WeakPolarHBondContact OD1-CB 3.36Å; N201-S203 PolarHBondContact OD1-N 3.5Å; N201-S203 PolarHBondContact OD1-OG 3.25Å; N201-Y210 HydrophobicContact CB-CD1 4.2Å; N201-Y210 HydrophobicContact CB-CE1 4.31Å; N201-Y210 WeakPolarHBondContact OD1-CE1 3.46Å |
| 202 | Q | 92.2 | Very high | 93.6 | Very high | 123 Ų | 123 | 64.5 Ų | 64.5 | 58% | 0.575 | 33% | 0.328 | S | S | * | . | trans | -113.3 | 29.7 | 177.7 | -64.8 | 179.3 | -24.8 | 0 | 0 | 110.7 | S209 | Q202-S209 PolarHBondContact N-O 2.65Š| ||
| 203 | S | 91.6 | Very high | 94 | Very high | 41 Ų | 41 | 64.4 Ų | 64.4 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | trans | -72 | 138.7 | -178.7 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | N201 H207 T208 S209 | N201-S203 WeakPolarHBondContact OD1-CB 3.36Å; N201-S203 PolarHBondContact OD1-N 3.5Å; N201-S203 PolarHBondContact OD1-OG 3.25Å; S203-H207 CarbonylContact C-O 3.6Å; S203-H207 VanDerWaalsContact CA-O 3.25Å; S203-H207 WeakPolarHBondContact CA-O 3.37Å; S203-T208 WeakPolarHBondContact OG-CA 3.42Å; S203-S209 PolarHBondContact OG-N 2.7Å; S203-S209 VanDerWaalsContact OG-N 3.07Å | ||
| 204 | T | 89.8 | Confident | 94.1 | Very high | 93 Ų | 93 | 65.7 Ų | 65.7 | 57% | 0.571 | 33% | 0.329 | S | S | * | . | B | Isolated β-bridge | trans | -121.7 | 177.1 | 170.9 | 68.3 | 0 | 0 | 0 | 0 | 109 | N206 H207 | T204-N206 PolarHBondContact O-N 3.43Å; T204-N206 VanDerWaalsContact O-N 3.13Å; T204-H207 PolarHBondContact N-O 2.85Å; T204-H207 PolarHBondContact O-N 3.4Å; T204-H207 VanDerWaalsContact O-O 3.1Å |
| 205 | Q | 85.6 | Confident | 94.2 | Very high | 186 Ų | 186 | 64.3 Ų | 64.3 | 87% | 0.869 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -35.9 | -173.3 | -169.7 | 174.1 | 3.2 | 0 | 0 | 114.3 | ||
| 206 | N | 88.3 | Confident | 94.2 | Very high | 79 Ų | 79 | 63.9 Ų | 63.9 | 42% | 0.422 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -0.2 | -176.5 | -67.2 | -21.4 | 0 | 0 | 0 | 113.8 | T204 L235 | T204-N206 PolarHBondContact O-N 3.43Å; T204-N206 VanDerWaalsContact O-N 3.13Å; N206-L235 PolarHBondContact O-N 2.82Å |
| 207 | H | 91.3 | Very high | 94.1 | Very high | 62 Ų | 62 | 66.7 Ų | 66.7 | 29% | 0.287 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 113.8 | -174.4 | 174.5 | -113.1 | 0 | 0 | 0 | 110.2 | S203 T204 S209 R233 L234 | S203-H207 CarbonylContact C-O 3.6Å; S203-H207 VanDerWaalsContact CA-O 3.25Å; S203-H207 WeakPolarHBondContact CA-O 3.37Å; T204-H207 PolarHBondContact N-O 2.85Å; T204-H207 PolarHBondContact O-N 3.4Å; T204-H207 VanDerWaalsContact O-O 3.1Å; H207-S209 VanDerWaalsContact CE1-CB 3.49Å; H207-S209 WeakPolarHBondContact CE1-CB 3.4Å; H207-R233 CarbonylContact C-O 3.57Å; H207-R233 VanDerWaalsContact CA-O 3.3Å; H207-R233 WeakPolarHBondContact CA-O 3.5Å; H207-L234 HydrophobicContact CB-CD1 4.09Å |
| 208 | T | 93 | Very high | 93.9 | Very high | 40 Ų | 40 | 62.7 Ų | 62.7 | 25% | 0.245 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 129.8 | 172 | 51 | 0 | 0 | 0 | 0 | 109.5 | S203 S232 R233 | S203-T208 WeakPolarHBondContact OG-CA 3.42Å; T208-S232 CarbonylContact O-C 3.46Å; T208-S232 VanDerWaalsContact O-CA 3.22Å; T208-S232 WeakPolarHBondContact O-CA 3.28Å; T208-R233 PolarHBondContact N-O 2.82Å; T208-R233 PolarHBondContact O-N 2.84Å; T208-R233 VanDerWaalsContact OG1-CB 3.29Å; T208-R233 WeakPolarHBondContact OG1-CB 3.36Å; T208-R233 PolarHBondContact OG1-O 2.83Å |
| 209 | S | 95.3 | Very high | 93.5 | Very high | 16 Ų | 16 | 65.3 Ų | 65.3 | 11% | 0.112 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 119.5 | -179.6 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | Q202 S203 H207 H231 | Q202-S209 PolarHBondContact N-O 2.65Å; S203-S209 PolarHBondContact OG-N 2.7Å; S203-S209 VanDerWaalsContact OG-N 3.07Å; H207-S209 VanDerWaalsContact CE1-CB 3.49Å; H207-S209 WeakPolarHBondContact CE1-CB 3.4Å; S209-H231 CarbonylContact C-O 3.54Å; S209-H231 WeakPolarHBondContact CA-O 3.48Å |
| 210 | Y | 95.6 | Very high | 92.9 | Very high | 86 Ų | 86 | 65.1 Ų | 65.1 | 34% | 0.337 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 135.4 | 177.9 | -52.9 | -63.3 | 0 | 0 | 0 | 109.9 | F199 K200 N201 H231 | F199-Y210 HydrophobicContact CE2-CD1 4.12Å; F199-Y210 HydrophobicContact CE2-CG 4.38Å; F199-Y210 AromaticContact CZ-CD1 3.68Å; F199-Y210 HydrophobicContact CZ-CD1 3.68Å; F199-Y210 HydrophobicContact CZ-CE1 4.32Å; F199-Y210 HydrophobicContact CZ-CG 4.37Å; K200-Y210 WeakPolarHBondContact O-CA 3.41Å; N201-Y210 HydrophobicContact CB-CD1 4.2Å; N201-Y210 HydrophobicContact CB-CE1 4.31Å; N201-Y210 WeakPolarHBondContact OD1-CE1 3.46Å; Y210-H231 AromaticContact CD2-CD2 3.97Å; Y210-H231 PolarHBondContact N-O 2.92Å; Y210-H231 PolarHBondContact O-N 3.01Å |
| 211 | T | 96.9 | Very high | 92.6 | Very high | 16 Ų | 16 | 68.5 Ų | 68.5 | 10% | 0.098 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 120.1 | 171.9 | -60.6 | 0 | 0 | 0 | 0 | 108.8 | F199 K200 E213 M230 | F199-T211 CarbonylContact C-O 3.59Å; F199-T211 WeakPolarHBondContact CA-O 3.34Å; K200-T211 PolarHBondContact N-O 3.13Å; K200-T211 PolarHBondContact O-N 3.33Å; T211-E213 HydrophobicContact CG2-CG 3.98Å; T211-M230 HydrophobicContact CG2-CG 4.26Å |
| 212 | L | 97.1 | Very high | 92.3 | Very high | 67 Ų | 67 | 72.4 Ų | 72.4 | 35% | 0.351 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126.4 | 172.4 | 177.8 | 74.6 | 0 | 0 | 0 | 108.1 | S198 F199 Q228 L229 | S198-L212 CarbonylContact O-C 3.52Å; S198-L212 WeakPolarHBondContact O-CA 3.15Å; F199-L212 HydrophobicContact CB-CD1 4.41Å; L212-Q228 CarbonylContact O-C 3.53Å; L212-Q228 WeakPolarHBondContact O-CA 2.94Å; L212-L229 HydrophobicContact CB-CB 4.27Å; L212-L229 HydrophobicContact CD2-CD2 4.43Å; L212-L229 PolarHBondContact N-O 2.96Å; L212-L229 PolarHBondContact O-N 3.06Å |
| 213 | E | 97.3 | Very high | 92.3 | Very high | 32 Ų | 32 | 68.6 Ų | 68.6 | 15% | 0.15 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.9 | 172.5 | -48.7 | -164.2 | 163.2 | 0 | 0 | 110.7 | Q197 S198 T211 R226 T227 Q228 | Q197-E213 CarbonylContact C-O 3.51Å; Q197-E213 WeakPolarHBondContact CA-O 3.44Å; S198-E213 PolarHBondContact N-O 2.9Å; S198-E213 PolarHBondContact O-N 2.93Å; S198-E213 WeakPolarHBondContact OG-CB 3.45Å; T211-E213 HydrophobicContact CG2-CG 3.98Å; E213-R226 IonicContact OE1-NH2 3.18Å; E213-R226 PolarHBondContact OE1-NH2 2.94Å; E213-R226 IonicContact OE2-CZ 2.72Å; E213-R226 IonicContact OE2-NE 3.42Å; E213-R226 IonicContact OE2-NH2 3.85Å; E213-R226 PolarHBondContact OE2-NH2 2.85Å; E213-T227 CarbonylContact C-O 3.58Å; E213-T227 WeakPolarHBondContact CA-O 3.35Å; E213-Q228 HydrophobicContact CB-CG 4.46Å; E213-Q228 HydrophobicContact CG-CG 4.06Å; E213-Q228 PolarHBondContact OE1-NE2 2.76Å |
| 214 | F | 96.9 | Very high | 92.4 | Very high | 74 Ų | 74 | 69.8 Ų | 69.8 | 33% | 0.325 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 129.2 | 172.6 | 178.1 | -91.3 | 0 | 0 | 0 | 108.5 | L195 S196 L216 Y225 R226 T227 | L195-F214 HydrophobicContact CD1-CD2 4.43Å; L195-F214 HydrophobicContact CD1-CE1 4.36Å; L195-F214 HydrophobicContact CD1-CE2 3.4Å; L195-F214 VanDerWaalsContact CD1-CE2 3.4Å; L195-F214 HydrophobicContact CD1-CZ 3.35Å; S196-F214 CarbonylContact O-C 3.56Å; S196-F214 WeakPolarHBondContact O-CA 3.14Å; F214-L216 HydrophobicContact CE1-CB 3.9Å; F214-L216 HydrophobicContact CZ-CB 4.37Å; F214-Y225 AromaticContact CD1-CD1 3.98Å; F214-Y225 HydrophobicContact CD1-CD1 3.98Å; F214-Y225 AromaticContact CD1-CE1 3.85Å; F214-Y225 HydrophobicContact CD1-CE1 3.85Å; F214-Y225 AromaticContact CE1-CD1 3.96Å; F214-Y225 HydrophobicContact CE1-CD1 3.96Å; F214-Y225 HydrophobicContact CE1-CE1 4Å; F214-R226 CarbonylContact O-C 3.59Å; F214-R226 WeakPolarHBondContact O-CA 3.41Å; F214-T227 PolarHBondContact N-O 2.86Å; F214-T227 PolarHBondContact O-N 2.81Å |
| 215 | N | 96.4 | Very high | 92.6 | Very high | 30 Ų | 30 | 68.7 Ų | 68.7 | 16% | 0.16 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 134.3 | 178.2 | -57.8 | -62.1 | 0 | 0 | 0 | 109.2 | S196 Y225 R226 | S196-N215 PolarHBondContact N-O 2.79Å; S196-N215 PolarHBondContact O-N 3.3Å; N215-Y225 CarbonylContact C-O 3.53Å; N215-Y225 WeakPolarHBondContact CA-O 3.35Å; N215-R226 WeakPolarHBondContact OD1-CB 3.38Å; N215-R226 WeakPolarHBondContact OD1-CD 3.19Å; N215-R226 WeakPolarHBondContact OD1-CG 3.43Å; N215-R226 PolarHBondContact OD1-NE 3.33Å |
| 216 | L | 95.8 | Very high | 93.1 | Very high | 46 Ų | 46 | 64.3 Ų | 64.3 | 24% | 0.241 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 119.9 | 174.2 | 171.5 | 66.3 | 0 | 0 | 0 | 108 | L193 L194 L195 F214 V218 L223 Y225 | L193-L216 HydrophobicContact CD1-CD1 3.47Å; L193-L216 VanDerWaalsContact CD1-CD1 3.47Å; L194-L216 WeakPolarHBondContact O-CA 3.45Å; L195-L216 HydrophobicContact CD1-CD1 4.37Å; F214-L216 HydrophobicContact CE1-CB 3.9Å; F214-L216 HydrophobicContact CZ-CB 4.37Å; L216-V218 HydrophobicContact CD1-CG2 4.26Å; L216-L223 HydrophobicContact CD2-CD2 3.91Å; L216-L223 HydrophobicContact CG-CD2 3.87Å; L216-Y225 HydrophobicContact CB-CD1 4.41Å; L216-Y225 PolarHBondContact N-O 3.07Å; L216-Y225 PolarHBondContact O-N 2.81Å |
| 217 | Q | 94.6 | Very high | 93.5 | Very high | 74 Ų | 74 | 61.8 Ų | 61.8 | 35% | 0.346 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.8 | 176.4 | -58.8 | 176.6 | 5.8 | 0 | 0 | 109.6 | L194 L223 | L194-Q217 HydrophobicContact CB-CB 4.24Å; L194-Q217 PolarHBondContact N-O 2.78Å; L194-Q217 PolarHBondContact O-N 3.03Å; Q217-L223 CarbonylContact C-O 3.55Å; Q217-L223 WeakPolarHBondContact CA-O 3.37Å |
| 218 | V | 92.6 | Very high | 93.8 | Very high | 21 Ų | 21 | 60.6 Ų | 60.6 | 13% | 0.127 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 86.8 | 173.5 | -171.8 | 0 | 0 | 0 | 0 | 106.8 | L193 L216 E220 K221 N222 L223 | L193-V218 HydrophobicContact CD1-CG2 3.58Å; L216-V218 HydrophobicContact CD1-CG2 4.26Å; V218-E220 PolarHBondContact O-N 2.83Å; V218-K221 HydrophobicContact CB-CB 4.47Å; V218-K221 HydrophobicContact CG1-CB 4.13Å; V218-K221 HydrophobicContact CG1-CD 4.47Å; V218-K221 HydrophobicContact CG1-CG 4.14Å; V218-K221 PolarHBondContact O-N 2.86Å; V218-K221 VanDerWaalsContact O-N 3.14Å; V218-N222 PolarHBondContact O-N 2.84Å; V218-L223 HydrophobicContact CB-CB 4.2Å; V218-L223 HydrophobicContact CB-CD2 4.44Å; V218-L223 HydrophobicContact CG2-CD2 4.11Å; V218-L223 PolarHBondContact N-O 2.85Å; V218-L223 PolarHBondContact O-N 2.99Å |
| 219 | P | 87.7 | Confident | 94 | Very high | 68 Ų | 68 | 61.9 Ų | 61.9 | 44% | 0.442 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -54.5 | -36.6 | -174.7 | -29.6 | 39.3 | 0 | 0 | 0 | 113.6 | T192 K221 N222 | T192-P219 VanDerWaalsContact O-CD 3.28Å; T192-P219 WeakPolarHBondContact O-CD 3.45Å; T192-P219 WeakPolarHBondContact OG1-CD 3.37Å; T192-P219 WeakPolarHBondContact OG1-CG 3.5Å; P219-K221 PolarHBondContact O-N 2.88Å; P219-N222 PolarHBondContact O-N 2.86Å |
| 220 | E | 85.1 | Confident | 94.1 | Very high | 70 Ų | 70 | 64.9 Ų | 64.9 | 33% | 0.327 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -71.8 | -21.2 | -175.3 | -53.1 | 78.5 | -160.8 | 0 | 0 | 112.6 | Y191 T192 V218 | Y191-E220 VanDerWaalsContact CA-OE1 3.27Å; Y191-E220 WeakPolarHBondContact CA-OE1 3.18Å; Y191-E220 HydrophobicContact CD1-CB 3.88Å; Y191-E220 HydrophobicContact CD1-CG 3.52Å; Y191-E220 HydrophobicContact CE1-CB 4.24Å; Y191-E220 HydrophobicContact CE1-CG 4.12Å; Y191-E220 HydrophobicContact CG-CG 4.32Å; T192-E220 VanDerWaalsContact N-CD 3.29Å; T192-E220 PolarHBondContact N-OE1 2.81Å; T192-E220 PolarHBondContact N-OE2 2.8Å; T192-E220 PolarHBondContact OG1-OE1 2.83Å; V218-E220 PolarHBondContact O-N 2.83Å |
| 221 | K | 87.1 | Confident | 94.2 | Very high | 166 Ų | 166 | 63.4 Ų | 63.4 | 72% | 0.722 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -98.4 | 7.6 | 171.6 | -67.6 | -168 | 175.1 | -176.8 | 0 | 112.8 | V218 P219 L223 | V218-K221 HydrophobicContact CB-CB 4.47Å; V218-K221 HydrophobicContact CG1-CB 4.13Å; V218-K221 HydrophobicContact CG1-CD 4.47Å; V218-K221 HydrophobicContact CG1-CG 4.14Å; V218-K221 PolarHBondContact O-N 2.86Å; V218-K221 VanDerWaalsContact O-N 3.14Å; P219-K221 PolarHBondContact O-N 2.88Å; K221-L223 HydrophobicContact CB-CB 4.25Å; K221-L223 PolarHBondContact O-N 2.96Å; K221-L223 VanDerWaalsContact O-N 3.17Å |
| 222 | N | 88.2 | Confident | 94.1 | Very high | 131 Ų | 131 | 64.2 Ų | 64.2 | 70% | 0.701 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 39.9 | -169 | -67.9 | -45.6 | 0 | 0 | 0 | 111.6 | V218 P219 N250 | V218-N222 PolarHBondContact O-N 2.84Å; P219-N222 PolarHBondContact O-N 2.86Å; N222-N250 PolarHBondContact O-ND2 2.9Å; N222-N250 PolarHBondContact O-OD1 3.18Å |
| 223 | L | 92 | Very high | 93.9 | Very high | 42 Ų | 42 | 66.1 Ų | 66.1 | 22% | 0.22 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116.5 | -177.1 | -176.7 | 141.4 | 0 | 0 | 0 | 109.5 | L216 Q217 V218 K221 Y249 N250 | L216-L223 HydrophobicContact CD2-CD2 3.91Å; L216-L223 HydrophobicContact CG-CD2 3.87Å; Q217-L223 CarbonylContact C-O 3.55Å; Q217-L223 WeakPolarHBondContact CA-O 3.37Å; V218-L223 HydrophobicContact CB-CB 4.2Å; V218-L223 HydrophobicContact CB-CD2 4.44Å; V218-L223 HydrophobicContact CG2-CD2 4.11Å; V218-L223 PolarHBondContact N-O 2.85Å; V218-L223 PolarHBondContact O-N 2.99Å; K221-L223 HydrophobicContact CB-CB 4.25Å; K221-L223 PolarHBondContact O-N 2.96Å; K221-L223 VanDerWaalsContact O-N 3.17Å; L223-Y249 HydrophobicContact CD1-CE2 3.98Å; L223-Y249 HydrophobicContact CG-CE2 4.19Å; L223-N250 WeakPolarHBondContact CA-OD1 3.32Å |
| 224 | N | 94 | Very high | 93.7 | Very high | 66 Ų | 66 | 67.5 Ų | 67.5 | 35% | 0.353 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 98 | 173.7 | -177.7 | 4.6 | 0 | 0 | 0 | 108 | Y249 N250 | N224-Y249 WeakPolarHBondContact O-CA 3.46Å; N224-N250 PolarHBondContact N-OD1 2.92Å; N224-N250 PolarHBondContact O-N 2.87Å |
| 225 | Y | 94.9 | Very high | 93.2 | Very high | 70 Ų | 70 | 67.9 Ų | 67.9 | 28% | 0.275 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 128.8 | -178.5 | 177.5 | -98.9 | 0 | 0 | 0 | 110.1 | F214 N215 L216 T227 I247 N248 Y249 | F214-Y225 AromaticContact CD1-CD1 3.98Å; F214-Y225 HydrophobicContact CD1-CD1 3.98Å; F214-Y225 AromaticContact CD1-CE1 3.85Å; F214-Y225 HydrophobicContact CD1-CE1 3.85Å; F214-Y225 AromaticContact CE1-CD1 3.96Å; F214-Y225 HydrophobicContact CE1-CD1 3.96Å; F214-Y225 HydrophobicContact CE1-CE1 4Å; N215-Y225 CarbonylContact C-O 3.53Å; N215-Y225 WeakPolarHBondContact CA-O 3.35Å; L216-Y225 HydrophobicContact CB-CD1 4.41Å; L216-Y225 PolarHBondContact N-O 3.07Å; L216-Y225 PolarHBondContact O-N 2.81Å; Y225-T227 WeakPolarHBondContact CE1-OG1 3.41Å; Y225-T227 PolarHBondContact OH-OG1 2.86Å; Y225-I247 HydrophobicContact CD2-CG2 4.28Å; Y225-I247 HydrophobicContact CE2-CG2 3.47Å; Y225-I247 VanDerWaalsContact CE2-CG2 3.47Å; Y225-N248 WeakPolarHBondContact CA-O 3.24Å; Y225-Y249 HydrophobicContact CD2-CD2 4.29Å |
| 226 | R | 95.9 | Very high | 91.9 | Very high | 94 Ų | 94 | 72.6 Ų | 72.6 | 36% | 0.355 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 126.1 | 177.3 | 171.4 | 168 | -162.9 | -165 | 8.3 | 110.3 | E213 F214 N215 Q228 I247 N248 | E213-R226 IonicContact OE1-NH2 3.18Å; E213-R226 PolarHBondContact OE1-NH2 2.94Å; E213-R226 IonicContact OE2-CZ 2.72Å; E213-R226 IonicContact OE2-NE 3.42Å; E213-R226 IonicContact OE2-NH2 3.85Å; E213-R226 PolarHBondContact OE2-NH2 2.85Å; F214-R226 CarbonylContact O-C 3.59Å; F214-R226 WeakPolarHBondContact O-CA 3.41Å; N215-R226 WeakPolarHBondContact OD1-CB 3.38Å; N215-R226 WeakPolarHBondContact OD1-CD 3.19Å; N215-R226 WeakPolarHBondContact OD1-CG 3.43Å; N215-R226 PolarHBondContact OD1-NE 3.33Å; R226-Q228 HydrophobicContact CG-CG 4.08Å; R226-Q228 VanDerWaalsContact CZ-NE2 3.29Å; R226-I247 CarbonylContact O-C 3.59Å; R226-N248 HydrophobicContact CB-CB 4.29Å; R226-N248 PolarHBondContact N-O 2.82Å; R226-N248 PolarHBondContact O-N 2.82Å |
| 227 | T | 96.8 | Very high | 90.7 | Very high | 26 Ų | 26 | 78.7 Ų | 78.7 | 16% | 0.16 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.6 | 173.1 | -59.8 | 0 | 0 | 0 | 0 | 109.6 | E213 F214 Y225 L245 K246 I247 | E213-T227 CarbonylContact C-O 3.58Å; E213-T227 WeakPolarHBondContact CA-O 3.35Å; F214-T227 PolarHBondContact N-O 2.86Å; F214-T227 PolarHBondContact O-N 2.81Å; Y225-T227 WeakPolarHBondContact CE1-OG1 3.41Å; Y225-T227 PolarHBondContact OH-OG1 2.86Å; T227-L245 HydrophobicContact CG2-CD1 3.81Å; T227-K246 CarbonylContact C-O 3.54Å; T227-K246 WeakPolarHBondContact CA-O 3.37Å; T227-I247 HydrophobicContact CG2-CG1 4.21Å |
| 228 | Q | 96.9 | Very high | 90.1 | Very high | 37 Ų | 37 | 76 Ų | 76 | 17% | 0.173 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.8 | 177.2 | -60.8 | 178.1 | -67.6 | 0 | 0 | 109.2 | L212 E213 R226 L245 K246 | L212-Q228 CarbonylContact O-C 3.53Å; L212-Q228 WeakPolarHBondContact O-CA 2.94Å; E213-Q228 HydrophobicContact CB-CG 4.46Å; E213-Q228 HydrophobicContact CG-CG 4.06Å; E213-Q228 PolarHBondContact OE1-NE2 2.76Å; R226-Q228 HydrophobicContact CG-CG 4.08Å; R226-Q228 VanDerWaalsContact CZ-NE2 3.29Å; Q228-L245 WeakPolarHBondContact O-CA 3.39Å; Q228-K246 HydrophobicContact CB-CB 4.47Å; Q228-K246 PolarHBondContact N-O 3.46Å; Q228-K246 PolarHBondContact O-N 2.84Å |
| 229 | L | 97.6 | Very high | 90 | Very high | 68 Ų | 68 | 75.9 Ų | 75.9 | 36% | 0.356 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 117.9 | 170.7 | 175.8 | 69.6 | 0 | 0 | 0 | 108 | L212 T243 H244 L245 | L212-L229 HydrophobicContact CB-CB 4.27Å; L212-L229 HydrophobicContact CD2-CD2 4.43Å; L212-L229 PolarHBondContact N-O 2.96Å; L212-L229 PolarHBondContact O-N 3.06Å; L229-T243 HydrophobicContact CD1-CG2 3.77Å; L229-H244 CarbonylContact C-O 3.55Å; L229-H244 WeakPolarHBondContact CA-O 3.41Å; L229-L245 HydrophobicContact CB-CD1 4.48Å; L229-L245 HydrophobicContact CD1-CB 4.44Å |
| 230 | M | 97 | Very high | 90.3 | Very high | 79 Ų | 79 | 75.9 Ų | 75.9 | 39% | 0.389 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.9 | 178.5 | -58.4 | 176.6 | 71.7 | 0 | 0 | 108.4 | T211 T243 H244 | T211-M230 HydrophobicContact CG2-CG 4.26Å; M230-T243 CarbonylContact O-C 3.57Å; M230-T243 VanDerWaalsContact O-CA 3.3Å; M230-T243 WeakPolarHBondContact O-CA 3.19Å; M230-H244 HydrophobicContact CB-CB 4.45Å; M230-H244 PolarHBondContact N-O 2.95Å; M230-H244 PolarHBondContact O-N 2.84Å |
| 231 | H | 96.6 | Very high | 90.7 | Very high | 54 Ų | 54 | 73.7 Ų | 73.7 | 25% | 0.25 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 130.2 | 174.2 | 178.6 | 73.9 | 0 | 0 | 0 | 109.5 | S209 Y210 S242 T243 | S209-H231 CarbonylContact C-O 3.54Å; S209-H231 WeakPolarHBondContact CA-O 3.48Å; Y210-H231 AromaticContact CD2-CD2 3.97Å; Y210-H231 PolarHBondContact N-O 2.92Å; Y210-H231 PolarHBondContact O-N 3.01Å; H231-S242 CarbonylContact C-O 3.6Å; H231-S242 WeakPolarHBondContact CA-O 3.4Å; H231-T243 PolarHBondContact ND1-OG1 2.79Å |
| 232 | S | 95.7 | Very high | 91.1 | Very high | 33 Ų | 33 | 66.8 Ų | 66.8 | 23% | 0.231 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 145.3 | 170.8 | 55 | 0 | 0 | 0 | 0 | 110.3 | T208 S241 S242 | T208-S232 CarbonylContact O-C 3.46Å; T208-S232 VanDerWaalsContact O-CA 3.22Å; T208-S232 WeakPolarHBondContact O-CA 3.28Å; S232-S241 CarbonylContact O-C 3.55Å; S232-S241 VanDerWaalsContact O-CA 3.27Å; S232-S241 WeakPolarHBondContact O-CA 3.42Å; S232-S242 PolarHBondContact N-O 2.83Å; S232-S242 PolarHBondContact O-N 3.28Å; S232-S242 PolarHBondContact OG-OG 3.29Å |
| 233 | R | 93.8 | Very high | 91.6 | Very high | 108 Ų | 108 | 62.7 Ų | 62.7 | 41% | 0.408 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 130.8 | 171.4 | 166.5 | -168.4 | -169.8 | -167.2 | 2.7 | 110.4 | H207 T208 S239 E240 | H207-R233 CarbonylContact C-O 3.57Å; H207-R233 VanDerWaalsContact CA-O 3.3Å; H207-R233 WeakPolarHBondContact CA-O 3.5Å; T208-R233 PolarHBondContact N-O 2.82Å; T208-R233 PolarHBondContact O-N 2.84Å; T208-R233 VanDerWaalsContact OG1-CB 3.29Å; T208-R233 WeakPolarHBondContact OG1-CB 3.36Å; T208-R233 PolarHBondContact OG1-O 2.83Å; R233-S239 PolarHBondContact NE-OG 2.83Å; R233-S239 PolarHBondContact NH2-OG 2.84Å; R233-E240 CarbonylContact C-O 3.56Å; R233-E240 WeakPolarHBondContact CA-O 3.37Å |
| 234 | L | 92.3 | Very high | 91.8 | Very high | 60 Ų | 60 | 64.3 Ų | 64.3 | 31% | 0.314 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 134.6 | -177.5 | -175.3 | 69.2 | 0 | 0 | 0 | 109.9 | H207 Q236 S239 E240 | H207-L234 HydrophobicContact CB-CD1 4.09Å; L234-Q236 HydrophobicContact CD1-CB 4.49Å; L234-Q236 HydrophobicContact CG-CB 4.34Å; L234-S239 WeakPolarHBondContact O-CA 3.42Å; L234-E240 PolarHBondContact N-O 3.43Å; L234-E240 PolarHBondContact O-N 2.9Å |
| 235 | L | 86.3 | Confident | 91.9 | Very high | 83 Ų | 83 | 63.7 Ų | 63.7 | 44% | 0.435 | 31% | 0.314 | S | S | . | . | trans | -106.1 | 1.8 | -177.5 | -70.6 | 166.3 | 0 | 0 | 0 | 114.4 | N206 H237 G238 | N206-L235 PolarHBondContact O-N 2.82Å; L235-H237 PolarHBondContact O-N 2.84Å; L235-G238 CarbonylContact C-O 3.54Å; L235-G238 VanDerWaalsContact CA-O 3.3Å; L235-G238 WeakPolarHBondContact CA-O 3.46Å | ||
| 236 | Q | 69.8 | Low | 92 | Very high | 129 Ų | 129 | 64.4 Ų | 64.4 | 60% | 0.603 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 105.2 | 176.5 | -99.5 | 174.4 | -22.8 | 0 | 0 | 109.9 | L234 | L234-Q236 HydrophobicContact CD1-CB 4.49Å; L234-Q236 HydrophobicContact CG-CB 4.34Å |
| 237 | H | 70.8 | Confident | 92 | Very high | 174 Ų | 174 | 61.4 Ų | 61.4 | 81% | 0.806 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 42.8 | 179 | -59.1 | 69.2 | 0 | 0 | 0 | 116.2 | L235 | L235-H237 PolarHBondContact O-N 2.84Š|
| 238 | G | 81.3 | Confident | 91.9 | Very high | 18 Ų | 18 | 62.2 Ų | 62.2 | 19% | 0.186 | 31% | 0.313 | C | S | . | . | S | Bend | trans | 123.3 | -156.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | L235 S263 | L235-G238 CarbonylContact C-O 3.54Å; L235-G238 VanDerWaalsContact CA-O 3.3Å; L235-G238 WeakPolarHBondContact CA-O 3.46Å; G238-S263 WeakPolarHBondContact CA-O 3.45Å |
| 239 | S | 90.1 | Very high | 91.6 | Very high | 17 Ų | 17 | 65.4 Ų | 65.4 | 12% | 0.119 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 115 | 170.3 | 170.3 | 0 | 0 | 0 | 0 | 108.4 | R233 L234 S263 | R233-S239 PolarHBondContact NE-OG 2.83Å; R233-S239 PolarHBondContact NH2-OG 2.84Å; L234-S239 WeakPolarHBondContact O-CA 3.42Å; S239-S263 VanDerWaalsContact CB-OG 3.31Å; S239-S263 WeakPolarHBondContact CB-OG 3.43Å; S239-S263 PolarHBondContact N-O 2.77Å; S239-S263 PolarHBondContact N-OG 2.82Å; S239-S263 PolarHBondContact O-N 2.94Å; S239-S263 PolarHBondContact O-OG 3.09Å |
| 240 | E | 93.9 | Very high | 91.3 | Very high | 68 Ų | 68 | 64.8 Ų | 64.8 | 32% | 0.318 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120.3 | 176.7 | -170.9 | 169.7 | 139.9 | 0 | 0 | 107.7 | R233 L234 H260 W261 K262 | R233-E240 CarbonylContact C-O 3.56Å; R233-E240 WeakPolarHBondContact CA-O 3.37Å; L234-E240 PolarHBondContact N-O 3.43Å; L234-E240 PolarHBondContact O-N 2.9Å; E240-H260 VanDerWaalsContact CG-CE1 3.44Å; E240-H260 WeakPolarHBondContact CG-CE1 3.33Å; E240-H260 IonicContact OE1-CE1 3.72Å; E240-H260 PolarHBondContact OE1-CE1 2.92Å; E240-H260 VanDerWaalsContact OE1-CE1 3.28Å; E240-H260 IonicContact OE1-NE2 3.46Å; E240-W261 CarbonylContact C-O 3.59Å; E240-W261 WeakPolarHBondContact CA-O 3.44Å; E240-K262 HydrophobicContact CG-CB 4.46Å; E240-K262 HydrophobicContact CG-CG 4.44Å; E240-K262 WeakPolarHBondContact OE2-CE 3.32Å; E240-K262 IonicContact OE2-NZ 3.75Å; E240-K262 PolarHBondContact OE2-NZ 3.21Å |
| 241 | S | 94.4 | Very high | 90.7 | Very high | 25 Ų | 25 | 65.9 Ų | 65.9 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134.5 | -179.3 | 62.7 | 0 | 0 | 0 | 0 | 110.7 | S232 H260 W261 | S232-S241 CarbonylContact O-C 3.55Å; S232-S241 VanDerWaalsContact O-CA 3.27Å; S232-S241 WeakPolarHBondContact O-CA 3.42Å; S241-H260 CarbonylContact O-C 3.56Å; S241-H260 WeakPolarHBondContact O-CA 3.49Å; S241-W261 PolarHBondContact N-O 3.16Å; S241-W261 PolarHBondContact O-N 3.33Å; S241-W261 PolarHBondContact OG-O 3.29Å |
| 242 | S | 95.9 | Very high | 90.3 | Very high | 21 Ų | 21 | 69 Ų | 69 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.4 | 173.4 | 39.5 | 0 | 0 | 0 | 0 | 110.9 | H231 S232 L259 | H231-S242 CarbonylContact C-O 3.6Å; H231-S242 WeakPolarHBondContact CA-O 3.4Å; S232-S242 PolarHBondContact N-O 2.83Å; S232-S242 PolarHBondContact O-N 3.28Å; S232-S242 PolarHBondContact OG-OG 3.29Å; S242-L259 CarbonylContact C-O 3.58Å; S242-L259 VanDerWaalsContact CA-O 3.32Å; S242-L259 WeakPolarHBondContact CA-O 2.9Å |
| 243 | T | 97 | Very high | 90 | Very high | 44 Ų | 44 | 72.9 Ų | 72.9 | 27% | 0.27 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 125.6 | 176.2 | -55.7 | 0 | 0 | 0 | 0 | 108.8 | L229 M230 H231 G258 L259 | L229-T243 HydrophobicContact CD1-CG2 3.77Å; M230-T243 CarbonylContact O-C 3.57Å; M230-T243 VanDerWaalsContact O-CA 3.3Å; M230-T243 WeakPolarHBondContact O-CA 3.19Å; H231-T243 PolarHBondContact ND1-OG1 2.79Å; T243-G258 CarbonylContact O-C 3.5Å; T243-G258 WeakPolarHBondContact O-CA 3.3Å; T243-L259 PolarHBondContact N-O 3.43Å; T243-L259 PolarHBondContact O-N 2.82Å |
| 244 | H | 97 | Very high | 89.9 | Confident | 77 Ų | 77 | 70 Ų | 70 | 36% | 0.356 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.3 | 178.7 | -62.3 | -80.1 | 0 | 0 | 0 | 110.3 | L229 M230 A257 | L229-H244 CarbonylContact C-O 3.55Å; L229-H244 WeakPolarHBondContact CA-O 3.41Å; M230-H244 HydrophobicContact CB-CB 4.45Å; M230-H244 PolarHBondContact N-O 2.95Å; M230-H244 PolarHBondContact O-N 2.84Å; H244-A257 CarbonylContact C-O 3.53Å; H244-A257 WeakPolarHBondContact CA-O 3.37Å |
| 245 | L | 97.1 | Very high | 89.9 | Confident | 53 Ų | 53 | 69.1 Ų | 69.1 | 28% | 0.277 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 126.2 | 172.5 | 176.4 | 65.1 | 0 | 0 | 0 | 108.6 | T227 Q228 L229 I247 L255 V256 A257 | T227-L245 HydrophobicContact CG2-CD1 3.81Å; Q228-L245 WeakPolarHBondContact O-CA 3.39Å; L229-L245 HydrophobicContact CB-CD1 4.48Å; L229-L245 HydrophobicContact CD1-CB 4.44Å; L245-I247 HydrophobicContact CD1-CG1 4.47Å; L245-I247 HydrophobicContact CG-CG1 4.44Å; L245-L255 HydrophobicContact CD2-CD2 3.93Å; L245-V256 WeakPolarHBondContact O-CA 3.34Å; L245-A257 HydrophobicContact CB-CB 4.46Å; L245-A257 PolarHBondContact N-O 2.97Å; L245-A257 PolarHBondContact O-N 2.82Å |
| 246 | K | 96.6 | Very high | 90.4 | Very high | 84 Ų | 84 | 67.2 Ų | 67.2 | 37% | 0.365 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 125.3 | 175.7 | -62.4 | -179.7 | -178.7 | 177.4 | 0 | 108.8 | T227 Q228 V256 | T227-K246 CarbonylContact C-O 3.54Å; T227-K246 WeakPolarHBondContact CA-O 3.37Å; Q228-K246 HydrophobicContact CB-CB 4.47Å; Q228-K246 PolarHBondContact N-O 3.46Å; Q228-K246 PolarHBondContact O-N 2.84Å; K246-V256 HydrophobicContact CG-CG1 4.38Å |
| 247 | I | 95.9 | Very high | 91.7 | Very high | 31 Ų | 31 | 62 Ų | 62 | 16% | 0.159 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 126 | 172.8 | -55.3 | -176.5 | 0 | 0 | 0 | 107.1 | Y225 R226 T227 L245 M253 P254 L255 | Y225-I247 HydrophobicContact CD2-CG2 4.28Å; Y225-I247 HydrophobicContact CE2-CG2 3.47Å; Y225-I247 VanDerWaalsContact CE2-CG2 3.47Å; R226-I247 CarbonylContact O-C 3.59Å; T227-I247 HydrophobicContact CG2-CG1 4.21Å; L245-I247 HydrophobicContact CD1-CG1 4.47Å; L245-I247 HydrophobicContact CG-CG1 4.44Å; I247-M253 WeakPolarHBondContact O-CA 3.41Å; I247-P254 HydrophobicContact CB-CG 4.27Å; I247-P254 HydrophobicContact CG2-CG 3.88Å; I247-P254 VanDerWaalsContact O-CD 3.24Å; I247-P254 WeakPolarHBondContact O-CD 3.4Å; I247-L255 HydrophobicContact CB-CB 4.25Å; I247-L255 HydrophobicContact CD1-CB 4.16Å; I247-L255 HydrophobicContact CD1-CD2 3.81Å; I247-L255 HydrophobicContact CG1-CB 4.29Å; I247-L255 HydrophobicContact CG1-CD2 4.43Å; I247-L255 PolarHBondContact N-O 3.18Å |
| 248 | N | 93.4 | Very high | 93 | Very high | 44 Ų | 44 | 53.9 Ų | 53.9 | 24% | 0.235 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 131.1 | 174.8 | -172.4 | -35.7 | 0 | 0 | 0 | 108.5 | Y225 R226 S251 L252 | Y225-N248 WeakPolarHBondContact CA-O 3.24Å; R226-N248 HydrophobicContact CB-CB 4.29Å; R226-N248 PolarHBondContact N-O 2.82Å; R226-N248 PolarHBondContact O-N 2.82Å; N248-S251 VanDerWaalsContact OD1-CA 3.29Å; N248-S251 WeakPolarHBondContact OD1-CA 3.37Å; N248-S251 PolarHBondContact OD1-N 2.77Å; N248-L252 CarbonylContact C-O 3.42Å; N248-L252 VanDerWaalsContact CA-O 3.29Å; N248-L252 WeakPolarHBondContact CA-O 3.43Å; N248-L252 PolarHBondContact OD1-O 3.45Å |
| 249 | Y | 91.9 | Very high | 93.7 | Very high | 103 Ų | 103 | 57.3 Ų | 57.3 | 40% | 0.404 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 113.2 | 176.5 | 178.6 | -93.4 | 0 | 0 | 0 | 108 | L223 N224 Y225 S251 L252 | L223-Y249 HydrophobicContact CD1-CE2 3.98Å; L223-Y249 HydrophobicContact CG-CE2 4.19Å; N224-Y249 WeakPolarHBondContact O-CA 3.46Å; Y225-Y249 HydrophobicContact CD2-CD2 4.29Å; Y249-S251 VanDerWaalsContact C-N 3.27Å; Y249-S251 PolarHBondContact O-N 3.45Å; Y249-L252 PolarHBondContact N-O 2.95Å; Y249-L252 WeakPolarHBondContact O-CA 3.34Å; Y249-L252 VanDerWaalsContact O-CB 3.3Å; Y249-L252 WeakPolarHBondContact O-CB 3.45Å; Y249-L252 PolarHBondContact O-N 2.79Å |
| 250 | N | 90.3 | Very high | 94.1 | Very high | 55 Ų | 55 | 58.8 Ų | 58.8 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 41 | 177.4 | -63.9 | -6.1 | 0 | 0 | 0 | 113.8 | N222 L223 N224 L252 | N222-N250 PolarHBondContact O-ND2 2.9Å; N222-N250 PolarHBondContact O-OD1 3.18Å; L223-N250 WeakPolarHBondContact CA-OD1 3.32Å; N224-N250 PolarHBondContact N-OD1 2.92Å; N224-N250 PolarHBondContact O-N 2.87Å; N250-L252 PolarHBondContact O-N 2.85Å |
| 251 | S | 84.4 | Confident | 94.1 | Very high | 102 Ų | 102 | 60.2 Ų | 60.2 | 71% | 0.713 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | -0.1 | -175.1 | -44 | 0 | 0 | 0 | 0 | 115.4 | N248 Y249 | N248-S251 VanDerWaalsContact OD1-CA 3.29Å; N248-S251 WeakPolarHBondContact OD1-CA 3.37Å; N248-S251 PolarHBondContact OD1-N 2.77Å; Y249-S251 VanDerWaalsContact C-N 3.27Å; Y249-S251 PolarHBondContact O-N 3.45Å |
| 252 | L | 89.1 | Confident | 94.1 | Very high | 119 Ų | 119 | 62.8 Ų | 62.8 | 62% | 0.623 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 149 | 168.1 | -56.9 | 174 | 0 | 0 | 0 | 109.8 | N248 Y249 N250 P254 | N248-L252 CarbonylContact C-O 3.42Å; N248-L252 VanDerWaalsContact CA-O 3.29Å; N248-L252 WeakPolarHBondContact CA-O 3.43Å; N248-L252 PolarHBondContact OD1-O 3.45Å; Y249-L252 PolarHBondContact N-O 2.95Å; Y249-L252 WeakPolarHBondContact O-CA 3.34Å; Y249-L252 VanDerWaalsContact O-CB 3.3Å; Y249-L252 WeakPolarHBondContact O-CB 3.45Å; Y249-L252 PolarHBondContact O-N 2.79Å; N250-L252 PolarHBondContact O-N 2.85Å; L252-P254 VanDerWaalsContact C-CD 3.47Å; L252-P254 WeakPolarHBondContact O-CD 3.24Å |
| 253 | M | 89.5 | Confident | 93.9 | Very high | 115 Ų | 115 | 63.2 Ų | 63.2 | 57% | 0.567 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 84.7 | 175 | -70.1 | -173.9 | 168.1 | 0 | 0 | 109.9 | I247 L255 V256 | I247-M253 WeakPolarHBondContact O-CA 3.41Å; M253-L255 PolarHBondContact O-N 3.28Å; M253-V256 HydrophobicContact CB-CG2 4.08Å; M253-V256 HydrophobicContact SD-CG2 4.01Å |
| 254 | P | 90.4 | Very high | 93.5 | Very high | 47 Ų | 47 | 62.3 Ų | 62.3 | 31% | 0.305 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | -25.8 | -179.8 | 25.2 | -36.9 | 0 | 0 | 0 | 113.5 | I247 L252 T281 P282 | I247-P254 HydrophobicContact CB-CG 4.27Å; I247-P254 HydrophobicContact CG2-CG 3.88Å; I247-P254 VanDerWaalsContact O-CD 3.24Å; I247-P254 WeakPolarHBondContact O-CD 3.4Å; L252-P254 VanDerWaalsContact C-CD 3.47Å; L252-P254 WeakPolarHBondContact O-CD 3.24Å; P254-T281 WeakPolarHBondContact O-CA 3.4Å; P254-P282 WeakPolarHBondContact O-CD 3.28Å |
| 255 | L | 93.8 | Very high | 93 | Very high | 42 Ų | 42 | 61.3 Ų | 61.3 | 22% | 0.22 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 126.5 | 178 | 179.3 | 66.5 | 0 | 0 | 0 | 111.3 | L245 I247 M253 A257 M279 D280 T281 | L245-L255 HydrophobicContact CD2-CD2 3.93Å; I247-L255 HydrophobicContact CB-CB 4.25Å; I247-L255 HydrophobicContact CD1-CB 4.16Å; I247-L255 HydrophobicContact CD1-CD2 3.81Å; I247-L255 HydrophobicContact CG1-CB 4.29Å; I247-L255 HydrophobicContact CG1-CD2 4.43Å; I247-L255 PolarHBondContact N-O 3.18Å; M253-L255 PolarHBondContact O-N 3.28Å; L255-A257 HydrophobicContact CD1-CB 4.45Å; L255-M279 HydrophobicContact CD1-CG 3.82Å; L255-M279 HydrophobicContact CD1-SD 4.31Å; L255-D280 WeakPolarHBondContact CA-O 3.45Å; L255-T281 HydrophobicContact CD1-CG2 3.59Å |
| 256 | V | 96.2 | Very high | 92.1 | Very high | 43 Ų | 43 | 67 Ų | 67 | 26% | 0.261 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 115.8 | 165.1 | -179.6 | 0 | 0 | 0 | 0 | 107.5 | L245 K246 M253 M279 D280 | L245-V256 WeakPolarHBondContact O-CA 3.34Å; K246-V256 HydrophobicContact CG-CG1 4.38Å; M253-V256 HydrophobicContact CB-CG2 4.08Å; M253-V256 HydrophobicContact SD-CG2 4.01Å; V256-M279 CarbonylContact O-C 3.47Å; V256-M279 WeakPolarHBondContact O-CA 3.4Å; V256-D280 PolarHBondContact N-O 2.83Å; V256-D280 PolarHBondContact O-N 2.85Å |
| 257 | A | 97.4 | Very high | 91.3 | Very high | 19 Ų | 19 | 70.7 Ų | 70.7 | 16% | 0.157 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 141 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | H244 L245 L255 S278 | H244-A257 CarbonylContact C-O 3.53Å; H244-A257 WeakPolarHBondContact CA-O 3.37Å; L245-A257 HydrophobicContact CB-CB 4.46Å; L245-A257 PolarHBondContact N-O 2.97Å; L245-A257 PolarHBondContact O-N 2.82Å; L255-A257 HydrophobicContact CD1-CB 4.45Å; A257-S278 CarbonylContact C-O 3.54Å; A257-S278 VanDerWaalsContact CA-O 3.24Å; A257-S278 WeakPolarHBondContact CA-O 3.27Å |
| 258 | G | 97.1 | Very high | 90.6 | Very high | 4 Ų | 4 | 70.6 Ų | 70.6 | 4% | 0.041 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 129.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | T243 F277 S278 | T243-G258 CarbonylContact O-C 3.5Å; T243-G258 WeakPolarHBondContact O-CA 3.3Å; G258-F277 CarbonylContact O-C 3.57Å; G258-F277 WeakPolarHBondContact O-CA 3.38Å; G258-S278 PolarHBondContact N-O 2.74Å; G258-S278 PolarHBondContact O-N 2.78Å; G258-S278 PolarHBondContact O-OG 2.8Å |
| 259 | L | 96.9 | Very high | 89.9 | Confident | 90 Ų | 90 | 76.3 Ų | 76.3 | 47% | 0.471 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125.1 | 171.4 | 177 | 67.2 | 0 | 0 | 0 | 107.9 | S242 T243 T276 | S242-L259 CarbonylContact C-O 3.58Å; S242-L259 VanDerWaalsContact CA-O 3.32Å; S242-L259 WeakPolarHBondContact CA-O 2.9Å; T243-L259 PolarHBondContact N-O 3.43Å; T243-L259 PolarHBondContact O-N 2.82Å; L259-T276 CarbonylContact C-O 3.56Å; L259-T276 WeakPolarHBondContact CA-O 3.46Å |
| 260 | H | 96.7 | Very high | 89.4 | Confident | 48 Ų | 48 | 77.9 Ų | 77.9 | 22% | 0.222 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 135.1 | 174.4 | 174.5 | 84.7 | 0 | 0 | 0 | 109 | E240 S241 G275 T276 | E240-H260 VanDerWaalsContact CG-CE1 3.44Å; E240-H260 WeakPolarHBondContact CG-CE1 3.33Å; E240-H260 IonicContact OE1-CE1 3.72Å; E240-H260 PolarHBondContact OE1-CE1 2.92Å; E240-H260 VanDerWaalsContact OE1-CE1 3.28Å; E240-H260 IonicContact OE1-NE2 3.46Å; S241-H260 CarbonylContact O-C 3.56Å; S241-H260 WeakPolarHBondContact O-CA 3.49Å; H260-G275 CarbonylContact O-C 3.53Å; H260-G275 VanDerWaalsContact O-CA 3.28Å; H260-G275 WeakPolarHBondContact O-CA 3.23Å; H260-T276 WeakPolarHBondContact CB-OG1 3.37Å; H260-T276 PolarHBondContact N-O 2.84Å; H260-T276 PolarHBondContact O-N 2.78Å |
| 261 | W | 95.3 | Very high | 89.4 | Confident | 99 Ų | 99 | 78.6 Ų | 78.6 | 38% | 0.375 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 130.8 | -176.7 | -175.3 | -97.2 | 0 | 0 | 0 | 110.3 | E240 S241 W273 E274 Y290 | E240-W261 CarbonylContact C-O 3.59Å; E240-W261 WeakPolarHBondContact CA-O 3.44Å; S241-W261 PolarHBondContact N-O 3.16Å; S241-W261 PolarHBondContact O-N 3.33Å; S241-W261 PolarHBondContact OG-O 3.29Å; W261-W273 HydrophobicContact CZ2-CB 4.23Å; W261-E274 CarbonylContact C-O 3.58Å; W261-E274 WeakPolarHBondContact CA-O 3.22Å; W261-Y290 HydrophobicContact CH2-CD1 4.17Å; W261-Y290 HydrophobicContact CH2-CE1 4.02Å; W261-Y290 HydrophobicContact CZ3-CD1 4.03Å; W261-Y290 HydrophobicContact CZ3-CE1 4.35Å |
| 262 | K | 94.3 | Very high | 89.7 | Confident | 79 Ų | 79 | 78.7 Ų | 78.7 | 34% | 0.343 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 122.3 | -179.8 | -173.4 | 171.3 | -172.1 | 143.4 | 0 | 109.1 | E240 W273 E274 | E240-K262 HydrophobicContact CG-CB 4.46Å; E240-K262 HydrophobicContact CG-CG 4.44Å; E240-K262 WeakPolarHBondContact OE2-CE 3.32Å; E240-K262 IonicContact OE2-NZ 3.75Å; E240-K262 PolarHBondContact OE2-NZ 3.21Å; K262-W273 VanDerWaalsContact O-CA 3.29Å; K262-W273 WeakPolarHBondContact O-CA 3.25Å; K262-E274 HydrophobicContact CB-CB 4.26Å; K262-E274 PolarHBondContact N-O 2.84Å; K262-E274 PolarHBondContact O-N 2.85Å |
| 263 | S | 90.9 | Very high | 90 | Very high | 29 Ų | 29 | 75.5 Ų | 75.5 | 20% | 0.203 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 144.7 | 175.6 | 69.3 | 0 | 0 | 0 | 0 | 111 | G238 S239 | G238-S263 WeakPolarHBondContact CA-O 3.45Å; S239-S263 VanDerWaalsContact CB-OG 3.31Å; S239-S263 WeakPolarHBondContact CB-OG 3.43Å; S239-S263 PolarHBondContact N-O 2.77Å; S239-S263 PolarHBondContact N-OG 2.82Å; S239-S263 PolarHBondContact O-N 2.94Å; S239-S263 PolarHBondContact O-OG 3.09Å |
| 264 | P | 90.1 | Very high | 90.3 | Very high | 26 Ų | 26 | 72.3 Ų | 72.3 | 17% | 0.169 | 37% | 0.365 | C | S | . | . | trans | -74.3 | 160.5 | -176.8 | 32.4 | -32 | 0 | 0 | 0 | 111.4 | K271 K272 W273 | P264-K271 HydrophobicContact CB-CB 4.43Å; P264-K271 HydrophobicContact CG-CB 3.78Å; P264-K271 HydrophobicContact CG-CG 4.22Å; P264-K272 WeakPolarHBondContact CD-O 3.27Å; P264-W273 VanDerWaalsContact CD-CD1 3.48Å; P264-W273 HydrophobicContact CG-CD2 4.26Å; P264-W273 HydrophobicContact CG-CZ2 4.16Å | ||
| 265 | P | 85.5 | Confident | 90.5 | Very high | 56 Ų | 56 | 70.4 Ų | 70.4 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | trans | -60.7 | 148.4 | 170.4 | -15 | 25.9 | 0 | 0 | 0 | 111.6 | N267 S268 | P265-N267 VanDerWaalsContact C-N 3.28Å; P265-N267 PolarHBondContact O-N 3.02Å; P265-S268 WeakPolarHBondContact O-CB 3.41Å; P265-S268 PolarHBondContact O-N 2.88Å; P265-S268 PolarHBondContact O-OG 2.68Å | ||
| 266 | E | 78.3 | Confident | 90.7 | Very high | 172 Ų | 172 | 70.5 Ų | 70.5 | 80% | 0.804 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -40.9 | -179.9 | -72.8 | -171.2 | 156.8 | 0 | 0 | 113.1 | S268 K271 | E266-S268 VanDerWaalsContact C-N 3.3Å; E266-S268 PolarHBondContact O-N 3.16Å; E266-K271 PolarHBondContact O-NZ 3.26Å |
| 267 | N | 80.6 | Confident | 90.7 | Very high | 161 Ų | 161 | 72.1 Ų | 72.1 | 86% | 0.861 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 5.3 | -175.6 | -65.2 | -16.4 | 0 | 0 | 0 | 114.4 | P265 | P265-N267 VanDerWaalsContact C-N 3.28Å; P265-N267 PolarHBondContact O-N 3.02Å |
| 268 | S | 81.1 | Confident | 90.7 | Very high | 30 Ų | 30 | 73.3 Ų | 73.3 | 21% | 0.21 | 37% | 0.367 | C | S | . | . | trans | -75.7 | 129.6 | 179.6 | 61.3 | 0 | 0 | 0 | 0 | 112 | P265 E266 H270 | P265-S268 WeakPolarHBondContact O-CB 3.41Å; P265-S268 PolarHBondContact O-N 2.88Å; P265-S268 PolarHBondContact O-OG 2.68Å; E266-S268 VanDerWaalsContact C-N 3.3Å; E266-S268 PolarHBondContact O-N 3.16Å; S268-H270 VanDerWaalsContact C-N 3.32Å; S268-H270 PolarHBondContact OG-O 3.32Å | ||
| 269 | L | 77.4 | Confident | 90.6 | Very high | 164 Ų | 164 | 75.3 Ų | 75.3 | 86% | 0.859 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -65.7 | -36.2 | 173.6 | -71.5 | 170.3 | 0 | 0 | 0 | 111.8 | ||
| 270 | H | 82.2 | Confident | 90.5 | Very high | 135 Ų | 135 | 74.1 Ų | 74.1 | 63% | 0.625 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -105.8 | 107.3 | 175 | -59.5 | -62.2 | 0 | 0 | 0 | 109.5 | S268 P295 | S268-H270 VanDerWaalsContact C-N 3.32Å; S268-H270 PolarHBondContact OG-O 3.32Å; H270-P295 PolarHBondContact CE1-O 2.76Å; H270-P295 PolarHBondContact ND1-O 2.79Å |
| 271 | K | 89.8 | Confident | 90.4 | Very high | 70 Ų | 70 | 73.3 Ų | 73.3 | 30% | 0.304 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 120.5 | 179.7 | -61.5 | -166.5 | 176.1 | -165.1 | 0 | 109.7 | P264 E266 W273 S293 R294 | P264-K271 HydrophobicContact CB-CB 4.43Å; P264-K271 HydrophobicContact CG-CB 3.78Å; P264-K271 HydrophobicContact CG-CG 4.22Å; E266-K271 PolarHBondContact O-NZ 3.26Å; K271-W273 HydrophobicContact CB-CE3 4.38Å; K271-W273 HydrophobicContact CB-CH2 3.28Å; K271-W273 HydrophobicContact CB-CZ2 3.87Å; K271-W273 HydrophobicContact CB-CZ3 3.57Å; K271-W273 HydrophobicContact CD-CH2 3.94Å; K271-W273 HydrophobicContact CD-CZ2 4.09Å; K271-W273 HydrophobicContact CG-CH2 4.21Å; K271-W273 WeakPolarHBondContact O-CZ3 3.32Å; K271-S293 CarbonylContact O-C 3.57Å; K271-S293 WeakPolarHBondContact O-CA 3.37Å; K271-R294 HydrophobicContact CB-CB 4.25Å; K271-R294 PolarHBondContact N-O 2.82Å; K271-R294 PolarHBondContact O-N 2.99Å |
| 272 | K | 92.1 | Very high | 90.1 | Very high | 104 Ų | 104 | 73.5 Ų | 73.5 | 45% | 0.452 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 124.2 | 177.2 | -166.6 | -172.2 | -167.2 | -165 | 0 | 109.6 | P264 E274 L292 | P264-K272 WeakPolarHBondContact CD-O 3.27Å; K272-E274 HydrophobicContact CD-CG 4.33Å; K272-E274 WeakPolarHBondContact CD-OE1 3.36Å; K272-E274 WeakPolarHBondContact CE-OE1 3.42Å; K272-E274 HydrophobicContact CG-CG 4.28Å; K272-E274 IonicContact NZ-OE1 2.84Å; K272-E274 PolarHBondContact NZ-OE1 2.82Å; K272-L292 CarbonylContact C-O 3.54Å; K272-L292 WeakPolarHBondContact CA-O 3.37Å |
| 273 | W | 93.6 | Very high | 89.8 | Confident | 52 Ų | 52 | 71.1 Ų | 71.1 | 20% | 0.197 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.5 | 172.9 | -57.2 | -99.7 | 0 | 0 | 0 | 109 | W261 K262 P264 K271 R291 L292 R294 | W261-W273 HydrophobicContact CZ2-CB 4.23Å; K262-W273 VanDerWaalsContact O-CA 3.29Å; K262-W273 WeakPolarHBondContact O-CA 3.25Å; P264-W273 VanDerWaalsContact CD-CD1 3.48Å; P264-W273 HydrophobicContact CG-CD2 4.26Å; P264-W273 HydrophobicContact CG-CZ2 4.16Å; K271-W273 HydrophobicContact CB-CE3 4.38Å; K271-W273 HydrophobicContact CB-CH2 3.28Å; K271-W273 HydrophobicContact CB-CZ2 3.87Å; K271-W273 HydrophobicContact CB-CZ3 3.57Å; K271-W273 HydrophobicContact CD-CH2 3.94Å; K271-W273 HydrophobicContact CD-CZ2 4.09Å; K271-W273 HydrophobicContact CG-CH2 4.21Å; K271-W273 WeakPolarHBondContact O-CZ3 3.32Å; W273-R291 WeakPolarHBondContact O-CA 3.25Å; W273-L292 HydrophobicContact CB-CB 4.25Å; W273-L292 HydrophobicContact CD2-CD2 4.34Å; W273-L292 HydrophobicContact CE3-CB 4.09Å; W273-L292 HydrophobicContact CE3-CD2 3.8Å; W273-L292 HydrophobicContact CE3-CG 3.95Å; W273-L292 HydrophobicContact CZ3-CD2 4.17Å; W273-L292 HydrophobicContact CZ3-CG 4.39Å; W273-L292 PolarHBondContact N-O 3.44Å; W273-L292 PolarHBondContact O-N 2.81Å; W273-R294 HydrophobicContact CZ3-CB 4.13Å |
| 274 | E | 95.7 | Very high | 89.9 | Confident | 49 Ų | 49 | 71.5 Ų | 71.5 | 23% | 0.229 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131.7 | 178.9 | -56.2 | -178.3 | 150.6 | 0 | 0 | 108.8 | W261 K262 K272 Y290 R291 | W261-E274 CarbonylContact C-O 3.58Å; W261-E274 WeakPolarHBondContact CA-O 3.22Å; K262-E274 HydrophobicContact CB-CB 4.26Å; K262-E274 PolarHBondContact N-O 2.84Å; K262-E274 PolarHBondContact O-N 2.85Å; K272-E274 HydrophobicContact CD-CG 4.33Å; K272-E274 WeakPolarHBondContact CD-OE1 3.36Å; K272-E274 WeakPolarHBondContact CE-OE1 3.42Å; K272-E274 HydrophobicContact CG-CG 4.28Å; K272-E274 IonicContact NZ-OE1 2.84Å; K272-E274 PolarHBondContact NZ-OE1 2.82Å; E274-Y290 CarbonylContact C-O 3.59Å; E274-Y290 WeakPolarHBondContact CA-O 3.3Å; E274-R291 HydrophobicContact CG-CG 4.38Å |
| 275 | G | 96.1 | Very high | 90.1 | Very high | 7 Ų | 7 | 73.9 Ų | 73.9 | 7% | 0.072 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 137.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | H260 A289 Y290 | H260-G275 CarbonylContact O-C 3.53Å; H260-G275 VanDerWaalsContact O-CA 3.28Å; H260-G275 WeakPolarHBondContact O-CA 3.23Å; G275-A289 CarbonylContact O-C 3.56Å; G275-A289 WeakPolarHBondContact O-CA 3.44Å; G275-Y290 PolarHBondContact N-O 2.8Å; G275-Y290 PolarHBondContact O-N 2.91Å |
| 276 | T | 97.3 | Very high | 90.6 | Very high | 44 Ų | 44 | 73.3 Ų | 73.3 | 27% | 0.27 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 139.5 | 168 | 64.3 | 0 | 0 | 0 | 0 | 109.8 | L259 H260 A288 A289 | L259-T276 CarbonylContact C-O 3.56Å; L259-T276 WeakPolarHBondContact CA-O 3.46Å; H260-T276 WeakPolarHBondContact CB-OG1 3.37Å; H260-T276 PolarHBondContact N-O 2.84Å; H260-T276 PolarHBondContact O-N 2.78Å; T276-A288 CarbonylContact C-O 3.57Å; T276-A288 WeakPolarHBondContact CA-O 3.4Å; T276-A289 HydrophobicContact CG2-CB 4.13Å |
| 277 | F | 97.1 | Very high | 91.4 | Very high | 77 Ų | 77 | 69.2 Ų | 69.2 | 34% | 0.338 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 129.1 | 175.4 | 173.8 | -103.2 | 0 | 0 | 0 | 108 | G258 M279 I286 Y287 A288 | G258-F277 CarbonylContact O-C 3.57Å; G258-F277 WeakPolarHBondContact O-CA 3.38Å; F277-M279 HydrophobicContact CE1-CB 3.81Å; F277-M279 HydrophobicContact CZ-CB 3.71Å; F277-M279 HydrophobicContact CZ-CG 4.44Å; F277-M279 HydrophobicContact CZ-SD 4.3Å; F277-I286 HydrophobicContact CD1-CG2 4.46Å; F277-I286 HydrophobicContact CE1-CG2 4.37Å; F277-Y287 CarbonylContact O-C 3.53Å; F277-Y287 WeakPolarHBondContact O-CA 3.28Å; F277-A288 HydrophobicContact CB-CB 4.42Å; F277-A288 PolarHBondContact N-O 3Å; F277-A288 PolarHBondContact O-N 3.28Å |
| 278 | S | 96.5 | Very high | 92.2 | Very high | 44 Ų | 44 | 62.9 Ų | 62.9 | 31% | 0.308 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 135.9 | 174.8 | 56 | 0 | 0 | 0 | 0 | 108.5 | A257 G258 I286 | A257-S278 CarbonylContact C-O 3.54Å; A257-S278 VanDerWaalsContact CA-O 3.24Å; A257-S278 WeakPolarHBondContact CA-O 3.27Å; G258-S278 PolarHBondContact N-O 2.74Å; G258-S278 PolarHBondContact O-N 2.78Å; G258-S278 PolarHBondContact O-OG 2.8Å; S278-I286 CarbonylContact C-O 3.48Å; S278-I286 WeakPolarHBondContact CA-O 3.39Å |
| 279 | M | 96.1 | Very high | 92.9 | Very high | 46 Ų | 46 | 61.8 Ų | 61.8 | 23% | 0.227 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 124.5 | 175.9 | -175.7 | -177.3 | 78.3 | 0 | 0 | 108.7 | L255 V256 F277 T281 Y285 I286 | L255-M279 HydrophobicContact CD1-CG 3.82Å; L255-M279 HydrophobicContact CD1-SD 4.31Å; V256-M279 CarbonylContact O-C 3.47Å; V256-M279 WeakPolarHBondContact O-CA 3.4Å; F277-M279 HydrophobicContact CE1-CB 3.81Å; F277-M279 HydrophobicContact CZ-CB 3.71Å; F277-M279 HydrophobicContact CZ-CG 4.44Å; F277-M279 HydrophobicContact CZ-SD 4.3Å; M279-T281 HydrophobicContact CG-CG2 4.27Å; M279-Y285 CarbonylContact O-C 3.5Å; M279-Y285 WeakPolarHBondContact O-CA 3.35Å; M279-I286 HydrophobicContact CB-CB 4.47Å; M279-I286 HydrophobicContact CE-CD1 3.62Å; M279-I286 HydrophobicContact CE-CG1 4Å; M279-I286 PolarHBondContact N-O 2.87Å; M279-I286 PolarHBondContact O-N 3.01Å |
| 280 | D | 94.6 | Very high | 93.7 | Very high | 65 Ų | 65 | 57.6 Ų | 57.6 | 35% | 0.348 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 125.3 | 174.8 | -165.8 | 12 | 0 | 0 | 0 | 109.9 | L255 V256 Y285 K310 | L255-D280 WeakPolarHBondContact CA-O 3.45Å; V256-D280 PolarHBondContact N-O 2.83Å; V256-D280 PolarHBondContact O-N 2.85Å; D280-Y285 HydrophobicContact CB-CD2 4.02Å; D280-K310 IonicContact OD1-NZ 2.77Å; D280-K310 PolarHBondContact OD1-NZ 2.61Å |
| 281 | T | 93 | Very high | 94.4 | Very high | 31 Ų | 31 | 57 Ų | 57 | 19% | 0.19 | 29% | 0.286 | C | S | . | . | trans | -135.5 | 160.5 | 175.3 | 65.9 | 0 | 0 | 0 | 0 | 108.7 | P254 L255 M279 G283 Q284 K310 | P254-T281 WeakPolarHBondContact O-CA 3.4Å; L255-T281 HydrophobicContact CD1-CG2 3.59Å; M279-T281 HydrophobicContact CG-CG2 4.27Å; T281-G283 PolarHBondContact O-N 2.88Å; T281-G283 VanDerWaalsContact O-N 3.13Å; T281-Q284 PolarHBondContact N-O 3.07Å; T281-Q284 PolarHBondContact O-N 2.7Å; T281-Q284 PolarHBondContact OG1-N 3.04Å; T281-Q284 PolarHBondContact OG1-O 2.73Å; T281-K310 PolarHBondContact O-NZ 2.93Å | ||
| 282 | P | 89.6 | Confident | 94.6 | Very high | 102 Ų | 102 | 55.1 Ų | 55.1 | 66% | 0.662 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -52.9 | -35.7 | 176.8 | -29.7 | 35.4 | 0 | 0 | 0 | 114.2 | P254 | P254-P282 WeakPolarHBondContact O-CD 3.28Š|
| 283 | G | 89.3 | Confident | 94.7 | Very high | 30 Ų | 30 | 51.6 Ų | 51.6 | 31% | 0.309 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -91.8 | -25.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | T281 K310 W311 | T281-G283 PolarHBondContact O-N 2.88Å; T281-G283 VanDerWaalsContact O-N 3.13Å; G283-K310 WeakPolarHBondContact O-CB 3.49Å; G283-W311 PolarHBondContact O-N 3.4Å |
| 284 | Q | 92.4 | Very high | 94.5 | Very high | 37 Ų | 37 | 54.4 Ų | 54.4 | 17% | 0.173 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 135.7 | -170.5 | -172.4 | 62 | 46.8 | 0 | 0 | 111.9 | T281 I286 S309 | T281-Q284 PolarHBondContact N-O 3.07Å; T281-Q284 PolarHBondContact O-N 2.7Å; T281-Q284 PolarHBondContact OG1-N 3.04Å; T281-Q284 PolarHBondContact OG1-O 2.73Å; Q284-I286 HydrophobicContact CG-CD1 4.16Å; Q284-I286 HydrophobicContact CG-CG1 3.84Å; Q284-S309 PolarHBondContact NE2-O 2.78Å |
| 285 | Y | 94.1 | Very high | 94 | Very high | 75 Ų | 75 | 54.4 Ų | 54.4 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 134.1 | 166.9 | 175.3 | -97.5 | 0 | 0 | 0 | 109.3 | M279 D280 A308 S309 | M279-Y285 CarbonylContact O-C 3.5Å; M279-Y285 WeakPolarHBondContact O-CA 3.35Å; D280-Y285 HydrophobicContact CB-CD2 4.02Å; Y285-A308 CarbonylContact O-C 3.52Å; Y285-A308 VanDerWaalsContact O-CA 3.28Å; Y285-A308 WeakPolarHBondContact O-CA 3.44Å; Y285-S309 WeakPolarHBondContact CB-OG 3.29Å; Y285-S309 PolarHBondContact N-O 2.81Å; Y285-S309 VanDerWaalsContact N-O 3.07Å; Y285-S309 PolarHBondContact O-N 2.81Å |
| 286 | I | 95.4 | Very high | 93.5 | Very high | 45 Ų | 45 | 57.1 Ų | 57.1 | 23% | 0.231 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 129.9 | 176.5 | -54.5 | -176.6 | 0 | 0 | 0 | 108.6 | F277 S278 M279 Q284 L306 T307 | F277-I286 HydrophobicContact CD1-CG2 4.46Å; F277-I286 HydrophobicContact CE1-CG2 4.37Å; S278-I286 CarbonylContact C-O 3.48Å; S278-I286 WeakPolarHBondContact CA-O 3.39Å; M279-I286 HydrophobicContact CB-CB 4.47Å; M279-I286 HydrophobicContact CE-CD1 3.62Å; M279-I286 HydrophobicContact CE-CG1 4Å; M279-I286 PolarHBondContact N-O 2.87Å; M279-I286 PolarHBondContact O-N 3.01Å; Q284-I286 HydrophobicContact CG-CD1 4.16Å; Q284-I286 HydrophobicContact CG-CG1 3.84Å; I286-L306 HydrophobicContact CG2-CD1 4Å; I286-T307 CarbonylContact C-O 3.58Å; I286-T307 WeakPolarHBondContact CA-O 3.32Å |
| 287 | Y | 95.7 | Very high | 92.8 | Very high | 85 Ų | 85 | 65.7 Ų | 65.7 | 33% | 0.333 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 123.6 | 168.4 | 176.2 | -95.2 | 0 | 0 | 0 | 108.3 | F277 A289 L306 T307 | F277-Y287 CarbonylContact O-C 3.53Å; F277-Y287 WeakPolarHBondContact O-CA 3.28Å; Y287-A289 HydrophobicContact CE1-CB 3.97Å; Y287-L306 CarbonylContact O-C 3.53Å; Y287-L306 WeakPolarHBondContact O-CA 3.39Å; Y287-T307 PolarHBondContact N-O 2.81Å; Y287-T307 PolarHBondContact O-N 3.25Å |
| 288 | A | 96.4 | Very high | 92.4 | Very high | 28 Ų | 28 | 66.5 Ų | 66.5 | 23% | 0.231 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 127.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | T276 F277 E305 L306 | T276-A288 CarbonylContact C-O 3.57Å; T276-A288 WeakPolarHBondContact CA-O 3.4Å; F277-A288 HydrophobicContact CB-CB 4.42Å; F277-A288 PolarHBondContact N-O 3Å; F277-A288 PolarHBondContact O-N 3.28Å; A288-E305 CarbonylContact C-O 3.53Å; A288-E305 VanDerWaalsContact CA-O 3.25Å; A288-E305 WeakPolarHBondContact CA-O 3.25Å; A288-L306 HydrophobicContact CB-CD1 4.02Å |
| 289 | A | 96.6 | Very high | 92.2 | Very high | 8 Ų | 8 | 64.7 Ų | 64.7 | 7% | 0.066 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 139.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | G275 T276 Y287 S304 E305 | G275-A289 CarbonylContact O-C 3.56Å; G275-A289 WeakPolarHBondContact O-CA 3.44Å; T276-A289 HydrophobicContact CG2-CB 4.13Å; Y287-A289 HydrophobicContact CE1-CB 3.97Å; A289-S304 CarbonylContact O-C 3.56Å; A289-S304 VanDerWaalsContact O-CA 3.28Å; A289-S304 WeakPolarHBondContact O-CA 3.14Å; A289-E305 HydrophobicContact CB-CB 4.33Å; A289-E305 PolarHBondContact N-O 2.99Å; A289-E305 PolarHBondContact O-N 3.28Å |
| 290 | Y | 95.2 | Very high | 92.1 | Very high | 76 Ų | 76 | 65.3 Ų | 65.3 | 30% | 0.298 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 131.7 | -177.6 | 172.4 | -91.5 | 0 | 0 | 0 | 108.7 | W261 E274 G275 L292 L302 T303 | W261-Y290 HydrophobicContact CH2-CD1 4.17Å; W261-Y290 HydrophobicContact CH2-CE1 4.02Å; W261-Y290 HydrophobicContact CZ3-CD1 4.03Å; W261-Y290 HydrophobicContact CZ3-CE1 4.35Å; E274-Y290 CarbonylContact C-O 3.59Å; E274-Y290 WeakPolarHBondContact CA-O 3.3Å; G275-Y290 PolarHBondContact N-O 2.8Å; G275-Y290 PolarHBondContact O-N 2.91Å; Y290-L292 HydrophobicContact CE1-CB 3.57Å; Y290-L292 WeakPolarHBondContact OH-CB 3.14Å; Y290-L292 WeakPolarHBondContact OH-CD2 3.48Å; Y290-L302 HydrophobicContact CD2-CD1 3.6Å; Y290-L302 HydrophobicContact CE2-CD1 3.05Å; Y290-L302 HydrophobicContact CE2-CG 4.47Å; Y290-T303 CarbonylContact C-O 3.58Å |
| 291 | R | 95.6 | Very high | 92.1 | Very high | 123 Ų | 123 | 66.3 Ų | 66.3 | 46% | 0.464 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 116.9 | 175.4 | -66.3 | -178.8 | 178.4 | 151.8 | 2.6 | 108.4 | W273 E274 L302 T303 | W273-R291 WeakPolarHBondContact O-CA 3.25Å; E274-R291 HydrophobicContact CG-CG 4.38Å; R291-L302 CarbonylContact O-C 3.57Å; R291-L302 WeakPolarHBondContact O-CA 3.49Å; R291-T303 PolarHBondContact N-O 2.74Å; R291-T303 PolarHBondContact O-N 3.32Å |
| 292 | L | 94.6 | Very high | 92.3 | Very high | 30 Ų | 30 | 67 Ų | 67 | 16% | 0.157 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 128.7 | 169.7 | -172.4 | 70.6 | 0 | 0 | 0 | 108.1 | K272 W273 Y290 L300 Q301 L302 | K272-L292 CarbonylContact C-O 3.54Å; K272-L292 WeakPolarHBondContact CA-O 3.37Å; W273-L292 HydrophobicContact CB-CB 4.25Å; W273-L292 HydrophobicContact CD2-CD2 4.34Å; W273-L292 HydrophobicContact CE3-CB 4.09Å; W273-L292 HydrophobicContact CE3-CD2 3.8Å; W273-L292 HydrophobicContact CE3-CG 3.95Å; W273-L292 HydrophobicContact CZ3-CD2 4.17Å; W273-L292 HydrophobicContact CZ3-CG 4.39Å; W273-L292 PolarHBondContact N-O 3.44Å; W273-L292 PolarHBondContact O-N 2.81Å; Y290-L292 HydrophobicContact CE1-CB 3.57Å; Y290-L292 WeakPolarHBondContact OH-CB 3.14Å; Y290-L292 WeakPolarHBondContact OH-CD2 3.48Å; L292-L300 HydrophobicContact CD1-CD1 3.68Å; L292-L300 HydrophobicContact CD1-CD2 4.02Å; L292-L300 HydrophobicContact CD1-CG 3.75Å; L292-L300 HydrophobicContact CD2-CD1 4.26Å; L292-L300 HydrophobicContact CG-CD1 3.98Å; L292-Q301 CarbonylContact C-O 3.52Å; L292-Q301 WeakPolarHBondContact CA-O 2.92Å; L292-L302 HydrophobicContact CD1-CB 4.2Å; L292-L302 HydrophobicContact CD1-CD1 4.41Å |
| 293 | S | 93.1 | Very high | 92.5 | Very high | 30 Ų | 30 | 63.2 Ų | 63.2 | 21% | 0.21 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 143.2 | 174 | 65 | 0 | 0 | 0 | 0 | 110.9 | K271 P295 Q301 | K271-S293 CarbonylContact O-C 3.57Å; K271-S293 WeakPolarHBondContact O-CA 3.37Å; S293-P295 WeakPolarHBondContact O-CD 3.33Å; S293-Q301 PolarHBondContact N-O 2.81Å; S293-Q301 PolarHBondContact O-N 2.8Å |
| 294 | R | 90.3 | Very high | 92.8 | Very high | 111 Ų | 111 | 63.4 Ų | 63.4 | 42% | 0.419 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 85.4 | 172 | -174.4 | -179.3 | -63.2 | -171.4 | 0.7 | 107.1 | K271 W273 N296 A299 | K271-R294 HydrophobicContact CB-CB 4.25Å; K271-R294 PolarHBondContact N-O 2.82Å; K271-R294 PolarHBondContact O-N 2.99Å; W273-R294 HydrophobicContact CZ3-CB 4.13Å; R294-N296 VanDerWaalsContact C-N 3.28Å; R294-N296 WeakPolarHBondContact CG-O 3.34Å; R294-N296 PolarHBondContact O-N 2.75Å; R294-A299 WeakPolarHBondContact CG-O 3.29Å |
| 295 | P | 85.8 | Confident | 93 | Very high | 49 Ų | 49 | 64.8 Ų | 64.8 | 32% | 0.318 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | -29.3 | -177.7 | 24.4 | -33.3 | 0 | 0 | 0 | 112.5 | H270 S293 A299 | H270-P295 PolarHBondContact CE1-O 2.76Å; H270-P295 PolarHBondContact ND1-O 2.79Å; S293-P295 WeakPolarHBondContact O-CD 3.33Å; P295-A299 HydrophobicContact CG-CB 4.19Å |
| 296 | N | 84.3 | Confident | 92.9 | Very high | 64 Ų | 64 | 63.9 Ų | 63.9 | 34% | 0.342 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 171.6 | 171.1 | 60.4 | 40.9 | 0 | 0 | 0 | 110.2 | R294 H298 A299 | R294-N296 VanDerWaalsContact C-N 3.28Å; R294-N296 WeakPolarHBondContact CG-O 3.34Å; R294-N296 PolarHBondContact O-N 2.75Å; N296-H298 PolarHBondContact O-N 2.76Å; N296-H298 PolarHBondContact OD1-N 3.46Å; N296-H298 VanDerWaalsContact OD1-N 3.13Å; N296-A299 PolarHBondContact O-N 2.79Å; N296-A299 WeakPolarHBondContact OD1-CB 3.35Å; N296-A299 PolarHBondContact OD1-N 2.77Å |
| 297 | R | 83.7 | Confident | 92.8 | Very high | 224 Ų | 224 | 63 Ų | 63 | 85% | 0.845 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -21.5 | -177.4 | -170.9 | 175.1 | -179 | 175.5 | 0.9 | 114 | ||
| 298 | H | 89.1 | Confident | 92.7 | Very high | 93 Ų | 93 | 59.3 Ų | 59.3 | 43% | 0.431 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 5.5 | -170.4 | -65.2 | -66.4 | 0 | 0 | 0 | 113.2 | N296 R324 D325 R326 | N296-H298 PolarHBondContact O-N 2.76Å; N296-H298 PolarHBondContact OD1-N 3.46Å; N296-H298 VanDerWaalsContact OD1-N 3.13Å; H298-R324 CarbonylContact O-C 3.47Å; H298-R324 WeakPolarHBondContact O-CA 3.31Å; H298-D325 WeakPolarHBondContact CB-O 3.31Å; H298-D325 VanDerWaalsContact CG-O 3.31Å; H298-D325 PolarHBondContact ND1-O 3.02Å; H298-D325 PolarHBondContact O-N 3.06Å; H298-R326 HydrophobicContact CB-CG 4.03Å |
| 299 | A | 92 | Very high | 92.3 | Very high | 7 Ų | 7 | 59.9 Ų | 59.9 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 142 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R294 P295 N296 F322 Y323 | R294-A299 WeakPolarHBondContact CG-O 3.29Å; P295-A299 HydrophobicContact CG-CB 4.19Å; N296-A299 PolarHBondContact O-N 2.79Å; N296-A299 WeakPolarHBondContact OD1-CB 3.35Å; N296-A299 PolarHBondContact OD1-N 2.77Å; A299-F322 HydrophobicContact CB-CE2 4.2Å; A299-F322 HydrophobicContact CB-CZ 4.28Å; A299-Y323 CarbonylContact C-O 3.54Å; A299-Y323 WeakPolarHBondContact CA-O 3.4Å |
| 300 | L | 93.7 | Very high | 91.9 | Very high | 58 Ų | 58 | 64.6 Ų | 64.6 | 30% | 0.304 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 131.8 | 176.5 | -168.3 | 74.2 | 0 | 0 | 0 | 108.2 | L292 F322 Y323 | L292-L300 HydrophobicContact CD1-CD1 3.68Å; L292-L300 HydrophobicContact CD1-CD2 4.02Å; L292-L300 HydrophobicContact CD1-CG 3.75Å; L292-L300 HydrophobicContact CD2-CD1 4.26Å; L292-L300 HydrophobicContact CG-CD1 3.98Å; L300-F322 CarbonylContact O-C 3.53Å; L300-F322 WeakPolarHBondContact O-CA 3.34Å; L300-Y323 PolarHBondContact N-O 3.34Å; L300-Y323 PolarHBondContact O-N 2.94Å |
| 301 | Q | 95 | Very high | 91.4 | Very high | 86 Ų | 86 | 72.2 Ų | 72.2 | 40% | 0.402 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.7 | 174.2 | 179.6 | 177.7 | -0.6 | 0 | 0 | 108.9 | L292 S293 G321 F322 | L292-Q301 CarbonylContact C-O 3.52Å; L292-Q301 WeakPolarHBondContact CA-O 2.92Å; S293-Q301 PolarHBondContact N-O 2.81Å; S293-Q301 PolarHBondContact O-N 2.8Å; Q301-G321 CarbonylContact C-O 3.49Å; Q301-G321 WeakPolarHBondContact CA-O 3.4Å; Q301-F322 HydrophobicContact CB-CD2 4.36Å |
| 302 | L | 95.6 | Very high | 90.6 | Very high | 45 Ų | 45 | 71.2 Ų | 71.2 | 24% | 0.236 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 130.5 | -179.2 | 168.2 | 62.5 | 0 | 0 | 0 | 107.8 | Y290 R291 L292 D320 G321 | Y290-L302 HydrophobicContact CD2-CD1 3.6Å; Y290-L302 HydrophobicContact CE2-CD1 3.05Å; Y290-L302 HydrophobicContact CE2-CG 4.47Å; R291-L302 CarbonylContact O-C 3.57Å; R291-L302 WeakPolarHBondContact O-CA 3.49Å; L292-L302 HydrophobicContact CD1-CB 4.2Å; L292-L302 HydrophobicContact CD1-CD1 4.41Å; L302-D320 CarbonylContact O-C 3.45Å; L302-D320 WeakPolarHBondContact O-CA 3.32Å; L302-G321 PolarHBondContact N-O 3.05Å; L302-G321 PolarHBondContact O-N 2.97Å |
| 303 | T | 95.6 | Very high | 90.1 | Very high | 23 Ų | 23 | 73.2 Ų | 73.2 | 14% | 0.141 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 127.4 | 167.7 | -62.7 | 0 | 0 | 0 | 0 | 107.4 | Y290 R291 E305 V318 L319 D320 | Y290-T303 CarbonylContact C-O 3.58Å; R291-T303 PolarHBondContact N-O 2.74Å; R291-T303 PolarHBondContact O-N 3.32Å; T303-E305 HydrophobicContact CG2-CG 4.43Å; T303-V318 HydrophobicContact CG2-CG1 4.34Å; T303-L319 CarbonylContact C-O 3.56Å; T303-L319 VanDerWaalsContact CA-O 3.32Å; T303-L319 WeakPolarHBondContact CA-O 3.45Å; T303-D320 WeakPolarHBondContact CB-OD1 3.33Å; T303-D320 VanDerWaalsContact CG2-OD1 3.25Å; T303-D320 WeakPolarHBondContact CG2-OD1 3.3Å; T303-D320 PolarHBondContact OG1-OD1 3.18Å |
| 304 | S | 95.6 | Very high | 89.7 | Confident | 35 Ų | 35 | 73.9 Ų | 73.9 | 25% | 0.245 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 126.9 | 176.4 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | A289 V318 L319 | A289-S304 CarbonylContact O-C 3.56Å; A289-S304 VanDerWaalsContact O-CA 3.28Å; A289-S304 WeakPolarHBondContact O-CA 3.14Å; S304-V318 CarbonylContact O-C 3.51Å; S304-V318 WeakPolarHBondContact O-CA 3.35Å; S304-L319 PolarHBondContact N-O 3.13Å; S304-L319 PolarHBondContact O-N 2.81Å |
| 305 | E | 94.9 | Very high | 89.3 | Confident | 66 Ų | 66 | 76.4 Ų | 76.4 | 31% | 0.308 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133 | 179.2 | -60.9 | 173.6 | -164 | 0 | 0 | 108.6 | A288 A289 T303 L317 V318 | A288-E305 CarbonylContact C-O 3.53Å; A288-E305 VanDerWaalsContact CA-O 3.25Å; A288-E305 WeakPolarHBondContact CA-O 3.25Å; A289-E305 HydrophobicContact CB-CB 4.33Å; A289-E305 PolarHBondContact N-O 2.99Å; A289-E305 PolarHBondContact O-N 3.28Å; T303-E305 HydrophobicContact CG2-CG 4.43Å; E305-L317 CarbonylContact C-O 3.6Å; E305-L317 WeakPolarHBondContact CA-O 3.33Å; E305-V318 HydrophobicContact CG-CG1 4.45Å; E305-V318 HydrophobicContact CG-CG2 4.3Å |
| 306 | L | 93.9 | Very high | 89.2 | Confident | 56 Ų | 56 | 78.4 Ų | 78.4 | 29% | 0.293 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 128.1 | 179.1 | 178.1 | 70 | 0 | 0 | 0 | 110.2 | I286 Y287 A288 L317 | I286-L306 HydrophobicContact CG2-CD1 4Å; Y287-L306 CarbonylContact O-C 3.53Å; Y287-L306 WeakPolarHBondContact O-CA 3.39Å; A288-L306 HydrophobicContact CB-CD1 4.02Å; L306-L317 HydrophobicContact CB-CB 4.31Å; L306-L317 HydrophobicContact CD2-CD2 4.24Å; L306-L317 PolarHBondContact N-O 2.96Å; L306-L317 PolarHBondContact O-N 2.86Å |
| 307 | T | 92.5 | Very high | 89.5 | Confident | 27 Ų | 27 | 77.7 Ų | 77.7 | 17% | 0.166 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 127.6 | 170.1 | -66.1 | 0 | 0 | 0 | 0 | 109.1 | I286 Y287 I314 N316 | I286-T307 CarbonylContact C-O 3.58Å; I286-T307 WeakPolarHBondContact CA-O 3.32Å; Y287-T307 PolarHBondContact N-O 2.81Å; Y287-T307 PolarHBondContact O-N 3.25Å; T307-I314 CarbonylContact C-O 3.56Å; T307-I314 WeakPolarHBondContact CA-O 3.37Å; T307-N316 PolarHBondContact OG1-N 2.81Å; T307-N316 PolarHBondContact OG1-OD1 2.77Å |
| 308 | A | 93 | Very high | 90 | Very high | 6 Ų | 6 | 67.9 Ų | 67.9 | 5% | 0.05 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 137 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y285 L312 S313 I314 | Y285-A308 CarbonylContact O-C 3.52Å; Y285-A308 VanDerWaalsContact O-CA 3.28Å; Y285-A308 WeakPolarHBondContact O-CA 3.44Å; A308-L312 CarbonylContact C-O 3.53Å; A308-L312 VanDerWaalsContact O-O 3.11Å; A308-S313 CarbonylContact O-C 3.55Å; A308-S313 WeakPolarHBondContact O-CA 3.3Å; A308-I314 HydrophobicContact CB-CB 4.16Å; A308-I314 PolarHBondContact N-O 3.12Å; A308-I314 CarbonylContact O-C 3.55Å; A308-I314 PolarHBondContact O-N 2.79Å |
| 309 | S | 88.8 | Confident | 90.3 | Very high | 41 Ų | 41 | 66 Ų | 66 | 29% | 0.287 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 174.8 | 176.5 | 73.8 | 0 | 0 | 0 | 0 | 112.5 | Q284 Y285 L312 | Q284-S309 PolarHBondContact NE2-O 2.78Å; Y285-S309 WeakPolarHBondContact CB-OG 3.29Å; Y285-S309 PolarHBondContact N-O 2.81Å; Y285-S309 VanDerWaalsContact N-O 3.07Å; Y285-S309 PolarHBondContact O-N 2.81Å; S309-L312 CarbonylContact C-O 3.57Å; S309-L312 WeakPolarHBondContact CA-O 3.44Å; S309-L312 PolarHBondContact N-O 2.91Å |
| 310 | K | 87.4 | Confident | 90.4 | Very high | 107 Ų | 107 | 68 Ų | 68 | 47% | 0.465 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 82.5 | -103.6 | -168.6 | -53.7 | 169.4 | 175 | 172.6 | 0 | 111.5 | D280 T281 G283 | D280-K310 IonicContact OD1-NZ 2.77Å; D280-K310 PolarHBondContact OD1-NZ 2.61Å; T281-K310 PolarHBondContact O-NZ 2.93Å; G283-K310 WeakPolarHBondContact O-CB 3.49Å |
| 311 | W | 84.9 | Confident | 90.4 | Very high | 236 Ų | 236 | 65.7 Ų | 65.7 | 89% | 0.894 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -66.3 | -45 | -178.6 | -90.4 | 50.5 | 0 | 0 | 0 | 113.7 | G283 | G283-W311 PolarHBondContact O-N 3.4Š|
| 312 | L | 79.8 | Confident | 90.5 | Very high | 101 Ų | 101 | 64.3 Ų | 64.3 | 53% | 0.529 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -114.4 | 123.2 | 172.8 | -176.6 | 70.8 | 0 | 0 | 0 | 109.1 | A308 S309 I314 | A308-L312 CarbonylContact C-O 3.53Å; A308-L312 VanDerWaalsContact O-O 3.11Å; S309-L312 CarbonylContact C-O 3.57Å; S309-L312 WeakPolarHBondContact CA-O 3.44Å; S309-L312 PolarHBondContact N-O 2.91Å; L312-I314 HydrophobicContact CD2-CD1 3.66Å; L312-I314 HydrophobicContact CD2-CG1 4.22Å; L312-I314 HydrophobicContact CG-CD1 4.15Å; L312-I314 HydrophobicContact CG-CG1 4.15Å |
| 313 | S | 83.4 | Confident | 90.4 | Very high | 72 Ų | 72 | 66.9 Ų | 66.9 | 50% | 0.503 | 33% | 0.327 | S | S | . | . | trans | -102.7 | 97.5 | 179.1 | 177 | 0 | 0 | 0 | 0 | 111.2 | A308 | A308-S313 CarbonylContact O-C 3.55Å; A308-S313 WeakPolarHBondContact O-CA 3.3Å | ||
| 314 | I | 84.2 | Confident | 90.3 | Very high | 44 Ų | 44 | 70.7 Ų | 70.7 | 23% | 0.226 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 113.9 | 168.2 | -61.3 | 170.1 | 0 | 0 | 0 | 107 | T307 A308 L312 L317 | T307-I314 CarbonylContact C-O 3.56Å; T307-I314 WeakPolarHBondContact CA-O 3.37Å; A308-I314 HydrophobicContact CB-CB 4.16Å; A308-I314 PolarHBondContact N-O 3.12Å; A308-I314 CarbonylContact O-C 3.55Å; A308-I314 PolarHBondContact O-N 2.79Å; L312-I314 HydrophobicContact CD2-CD1 3.66Å; L312-I314 HydrophobicContact CD2-CG1 4.22Å; L312-I314 HydrophobicContact CG-CD1 4.15Å; L312-I314 HydrophobicContact CG-CG1 4.15Å; I314-L317 HydrophobicContact CG2-CB 3.68Å |
| 315 | R | 81.4 | Confident | 90 | Very high | 165 Ų | 165 | 71.2 Ų | 71.2 | 62% | 0.623 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 119.1 | 178.3 | -67.5 | -172.8 | -177.7 | -165.8 | 0.6 | 110.1 | L317 A340 | R315-L317 PolarHBondContact O-N 2.69Å; R315-A340 HydrophobicContact CB-CB 3.75Å |
| 316 | N | 84.8 | Confident | 89.7 | Confident | 90 Ų | 90 | 74.5 Ų | 74.5 | 48% | 0.481 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.8 | 51 | 170.2 | -56.4 | -21.2 | 0 | 0 | 0 | 113.6 | T307 V318 P339 | T307-N316 PolarHBondContact OG1-N 2.81Å; T307-N316 PolarHBondContact OG1-OD1 2.77Å; N316-V318 PolarHBondContact O-N 2.75Å; N316-P339 HydrophobicContact CB-CG 4.11Å; N316-P339 WeakPolarHBondContact O-CD 3.33Å |
| 317 | L | 91.2 | Very high | 89.3 | Confident | 49 Ų | 49 | 74.4 Ų | 74.4 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 117 | 169.4 | 176.6 | 69.8 | 0 | 0 | 0 | 108.6 | E305 L306 I314 R315 V336 T338 | E305-L317 CarbonylContact C-O 3.6Å; E305-L317 WeakPolarHBondContact CA-O 3.33Å; L306-L317 HydrophobicContact CB-CB 4.31Å; L306-L317 HydrophobicContact CD2-CD2 4.24Å; L306-L317 PolarHBondContact N-O 2.96Å; L306-L317 PolarHBondContact O-N 2.86Å; I314-L317 HydrophobicContact CG2-CB 3.68Å; R315-L317 PolarHBondContact O-N 2.69Å; L317-V336 HydrophobicContact CD1-CG1 3.66Å; L317-T338 HydrophobicContact CB-CG2 4.33Å; L317-T338 HydrophobicContact CD1-CG2 3.52Å |
| 318 | V | 93.2 | Very high | 88.9 | Confident | 18 Ų | 18 | 82.6 Ų | 82.6 | 11% | 0.109 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 132.3 | 179.8 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | T303 S304 E305 N316 V336 H337 | T303-V318 HydrophobicContact CG2-CG1 4.34Å; S304-V318 CarbonylContact O-C 3.51Å; S304-V318 WeakPolarHBondContact O-CA 3.35Å; E305-V318 HydrophobicContact CG-CG1 4.45Å; E305-V318 HydrophobicContact CG-CG2 4.3Å; N316-V318 PolarHBondContact O-N 2.75Å; V318-V336 CarbonylContact O-C 3.55Å; V318-V336 VanDerWaalsContact O-CA 3.31Å; V318-V336 WeakPolarHBondContact O-CA 3.35Å; V318-H337 WeakPolarHBondContact CB-NE2 3.39Å; V318-H337 PolarHBondContact N-O 2.89Å; V318-H337 PolarHBondContact O-N 3.22Å |
| 319 | L | 94.6 | Very high | 88.7 | Confident | 53 Ų | 53 | 86.3 Ų | 86.3 | 28% | 0.277 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 113.1 | 172.3 | 170.9 | 74.1 | 0 | 0 | 0 | 108.3 | T303 S304 L334 E335 V336 | T303-L319 CarbonylContact C-O 3.56Å; T303-L319 VanDerWaalsContact CA-O 3.32Å; T303-L319 WeakPolarHBondContact CA-O 3.45Å; S304-L319 PolarHBondContact N-O 3.13Å; S304-L319 PolarHBondContact O-N 2.81Å; L319-L334 HydrophobicContact CD1-CD1 3.63Å; L319-L334 HydrophobicContact CD1-CG 4.09Å; L319-L334 HydrophobicContact CG-CD1 4.42Å; L319-E335 CarbonylContact C-O 3.59Å; L319-E335 WeakPolarHBondContact CA-O 3.29Å; L319-V336 HydrophobicContact CD1-CG2 3.52Å |
| 320 | D | 95 | Very high | 88.9 | Confident | 49 Ų | 49 | 88.8 Ų | 88.8 | 26% | 0.262 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121 | 175.1 | -75.2 | -44.5 | 0 | 0 | 0 | 110.6 | L302 T303 L334 E335 H337 | L302-D320 CarbonylContact O-C 3.45Å; L302-D320 WeakPolarHBondContact O-CA 3.32Å; T303-D320 WeakPolarHBondContact CB-OD1 3.33Å; T303-D320 VanDerWaalsContact CG2-OD1 3.25Å; T303-D320 WeakPolarHBondContact CG2-OD1 3.3Å; T303-D320 PolarHBondContact OG1-OD1 3.18Å; D320-L334 CarbonylContact O-C 3.53Å; D320-L334 WeakPolarHBondContact O-CA 3.41Å; D320-E335 HydrophobicContact CB-CB 4.49Å; D320-E335 PolarHBondContact N-O 2.74Å; D320-E335 PolarHBondContact O-N 2.79Å; D320-H337 IonicContact OD2-CE1 3.88Å |
| 321 | G | 94.7 | Very high | 89.2 | Confident | 11 Ų | 11 | 85 Ų | 85 | 11% | 0.113 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 137 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q301 L302 R333 | Q301-G321 CarbonylContact C-O 3.49Å; Q301-G321 WeakPolarHBondContact CA-O 3.4Å; L302-G321 PolarHBondContact N-O 3.05Å; L302-G321 PolarHBondContact O-N 2.97Å; G321-R333 CarbonylContact C-O 3.56Å; G321-R333 WeakPolarHBondContact CA-O 3.38Å |
| 322 | F | 95.5 | Very high | 89.7 | Confident | 57 Ų | 57 | 76.2 Ų | 76.2 | 25% | 0.25 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 131.5 | 172 | 178.1 | -97.5 | 0 | 0 | 0 | 109.5 | A299 L300 Q301 R324 A332 R333 | A299-F322 HydrophobicContact CB-CE2 4.2Å; A299-F322 HydrophobicContact CB-CZ 4.28Å; L300-F322 CarbonylContact O-C 3.53Å; L300-F322 WeakPolarHBondContact O-CA 3.34Å; Q301-F322 HydrophobicContact CB-CD2 4.36Å; F322-R324 HydrophobicContact CE1-CB 3.78Å; F322-R324 HydrophobicContact CZ-CB 3.97Å; F322-A332 CarbonylContact O-C 3.53Å; F322-A332 VanDerWaalsContact O-CA 3.28Å; F322-A332 WeakPolarHBondContact O-CA 3.43Å; F322-R333 HydrophobicContact CB-CB 4.3Å; F322-R333 PolarHBondContact N-O 2.75Å; F322-R333 PolarHBondContact O-N 3.49Å |
| 323 | Y | 93.5 | Very high | 90.4 | Very high | 98 Ų | 98 | 77.9 Ų | 77.9 | 38% | 0.384 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 137.2 | 176.4 | 177.6 | -103.3 | 0 | 0 | 0 | 109.7 | A299 L300 D325 A331 A332 | A299-Y323 CarbonylContact C-O 3.54Å; A299-Y323 WeakPolarHBondContact CA-O 3.4Å; L300-Y323 PolarHBondContact N-O 3.34Å; L300-Y323 PolarHBondContact O-N 2.94Å; Y323-D325 HydrophobicContact CE1-CB 3.74Å; Y323-D325 PolarHBondContact OH-OD2 3.38Å; Y323-D325 VanDerWaalsContact OH-OD2 3.11Å; Y323-A331 CarbonylContact C-O 3.55Å; Y323-A331 WeakPolarHBondContact CA-O 3.38Å; Y323-A332 HydrophobicContact CD2-CB 4.3Å |
| 324 | R | 93.8 | Very high | 91 | Very high | 103 Ų | 103 | 78.1 Ų | 78.1 | 39% | 0.389 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 131.3 | 177 | -176 | -176.3 | -67.8 | 168.7 | 1.3 | 110 | H298 F322 R326 K330 A331 | H298-R324 CarbonylContact O-C 3.47Å; H298-R324 WeakPolarHBondContact O-CA 3.31Å; F322-R324 HydrophobicContact CE1-CB 3.78Å; F322-R324 HydrophobicContact CZ-CB 3.97Å; R324-R326 HydrophobicContact CG-CG 4.46Å; R324-K330 CarbonylContact O-C 3.46Å; R324-K330 VanDerWaalsContact O-CA 3.28Å; R324-K330 WeakPolarHBondContact O-CA 3.38Å; R324-A331 HydrophobicContact CB-CB 4.4Å; R324-A331 PolarHBondContact N-O 2.86Å; R324-A331 PolarHBondContact O-N 3.34Å |
| 325 | D | 90.7 | Very high | 91.5 | Very high | 46 Ų | 46 | 77.4 Ų | 77.4 | 25% | 0.246 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 103.1 | 177.5 | -168.6 | -19.2 | 0 | 0 | 0 | 111.3 | H298 Y323 G327 K330 | H298-D325 WeakPolarHBondContact CB-O 3.31Å; H298-D325 VanDerWaalsContact CG-O 3.31Å; H298-D325 PolarHBondContact ND1-O 3.02Å; H298-D325 PolarHBondContact O-N 3.06Å; Y323-D325 HydrophobicContact CE1-CB 3.74Å; Y323-D325 PolarHBondContact OH-OD2 3.38Å; Y323-D325 VanDerWaalsContact OH-OD2 3.11Å; D325-G327 PolarHBondContact OD1-N 2.99Å; D325-K330 IonicContact OD2-NZ 2.61Å |
| 326 | R | 88.2 | Confident | 92 | Very high | 136 Ų | 136 | 71.6 Ų | 71.6 | 51% | 0.513 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 46.9 | 173.1 | -68.9 | -176.8 | 175.7 | -177.4 | -3.2 | 110.4 | H298 R324 R328 E329 | H298-R326 HydrophobicContact CB-CG 4.03Å; R324-R326 HydrophobicContact CG-CG 4.46Å; R326-R328 PolarHBondContact O-N 2.94Å; R326-E329 HydrophobicContact CB-CB 4.37Å; R326-E329 PolarHBondContact N-O 2.9Å; R326-E329 PolarHBondContact O-N 3.29Å |
| 327 | G | 84.9 | Confident | 92.3 | Very high | 53 Ų | 53 | 69.7 Ų | 69.7 | 55% | 0.546 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | -90.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D325 E329 | D325-G327 PolarHBondContact OD1-N 2.99Å; G327-E329 VanDerWaalsContact C-N 3.33Å |
| 328 | R | 83.4 | Confident | 92.1 | Very high | 199 Ų | 199 | 67.7 Ų | 67.7 | 75% | 0.751 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -14 | 177.6 | -64.6 | -170.3 | -175.7 | -167 | 2.3 | 113.4 | R326 K354 | R326-R328 PolarHBondContact O-N 2.94Å; R328-K354 HydrophobicContact CB-CG 4.17Å |
| 329 | E | 89.3 | Confident | 91 | Very high | 85 Ų | 85 | 71.1 Ų | 71.1 | 40% | 0.397 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 118.9 | 178.6 | -71.5 | 168.4 | -158.4 | 0 | 0 | 109.7 | R326 G327 V352 | R326-E329 HydrophobicContact CB-CB 4.37Å; R326-E329 PolarHBondContact N-O 2.9Å; R326-E329 PolarHBondContact O-N 3.29Å; G327-E329 VanDerWaalsContact C-N 3.33Å; E329-V352 CarbonylContact C-O 3.56Å; E329-V352 VanDerWaalsContact CA-O 3.26Å; E329-V352 WeakPolarHBondContact CA-O 3.37Å |
| 330 | K | 92.9 | Very high | 89.6 | Confident | 93 Ų | 93 | 70 Ų | 70 | 40% | 0.404 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 136.5 | 179.3 | -60.4 | -173.1 | -180 | -170 | 0 | 109.6 | R324 D325 A351 V352 | R324-K330 CarbonylContact O-C 3.46Å; R324-K330 VanDerWaalsContact O-CA 3.28Å; R324-K330 WeakPolarHBondContact O-CA 3.38Å; D325-K330 IonicContact OD2-NZ 2.61Å; K330-A351 CarbonylContact O-C 3.51Å; K330-A351 VanDerWaalsContact O-CA 3.3Å; K330-A351 WeakPolarHBondContact O-CA 3.26Å; K330-V352 HydrophobicContact CB-CB 4.46Å; K330-V352 PolarHBondContact N-O 2.84Å; K330-V352 PolarHBondContact O-N 2.88Å |
| 331 | A | 94.4 | Very high | 87.8 | Confident | 28 Ų | 28 | 72 Ų | 72 | 23% | 0.231 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 137.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y323 R324 G350 A351 | Y323-A331 CarbonylContact C-O 3.55Å; Y323-A331 WeakPolarHBondContact CA-O 3.38Å; R324-A331 HydrophobicContact CB-CB 4.4Å; R324-A331 PolarHBondContact N-O 2.86Å; R324-A331 PolarHBondContact O-N 3.34Å; A331-G350 CarbonylContact C-O 3.59Å; A331-G350 VanDerWaalsContact CA-O 3.3Å; A331-G350 WeakPolarHBondContact CA-O 3.21Å; A331-A351 HydrophobicContact CB-CB 4.31Å |
| 332 | A | 94.7 | Very high | 86.3 | Confident | 50 Ų | 50 | 74.8 Ų | 74.8 | 41% | 0.413 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 139.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | F322 Y323 W349 G350 | F322-A332 CarbonylContact O-C 3.53Å; F322-A332 VanDerWaalsContact O-CA 3.28Å; F322-A332 WeakPolarHBondContact O-CA 3.43Å; Y323-A332 HydrophobicContact CD2-CB 4.3Å; A332-W349 CarbonylContact O-C 3.51Å; A332-W349 VanDerWaalsContact O-CA 3.3Å; A332-W349 WeakPolarHBondContact O-CA 3.26Å; A332-G350 PolarHBondContact N-O 2.84Å; A332-G350 PolarHBondContact O-N 3.13Å |
| 333 | R | 95.5 | Very high | 85.2 | Confident | 136 Ų | 136 | 76.8 Ų | 76.8 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 135.8 | 171.9 | 175.8 | -179.9 | 175.1 | 175.8 | -0.9 | 108.1 | G321 F322 E335 V348 W349 | G321-R333 CarbonylContact C-O 3.56Å; G321-R333 WeakPolarHBondContact CA-O 3.38Å; F322-R333 HydrophobicContact CB-CB 4.3Å; F322-R333 PolarHBondContact N-O 2.75Å; F322-R333 PolarHBondContact O-N 3.49Å; R333-E335 IonicContact CZ-OE2 3.85Å; R333-E335 IonicContact NE-OE2 2.65Å; R333-E335 IonicContact NH2-OE2 2.87Å; R333-E335 PolarHBondContact NH2-OE2 2.82Å; R333-V348 CarbonylContact C-O 3.54Å; R333-V348 WeakPolarHBondContact CA-O 3.21Å; R333-W349 HydrophobicContact CB-CB 4.23Å; R333-W349 HydrophobicContact CG-CB 4.31Å |
| 334 | L | 95.5 | Very high | 84.7 | Confident | 77 Ų | 77 | 76 Ų | 76 | 40% | 0.403 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 126 | 173.6 | -170.2 | 69.2 | 0 | 0 | 0 | 107.5 | L319 D320 G347 V348 | L319-L334 HydrophobicContact CD1-CD1 3.63Å; L319-L334 HydrophobicContact CD1-CG 4.09Å; L319-L334 HydrophobicContact CG-CD1 4.42Å; D320-L334 CarbonylContact O-C 3.53Å; D320-L334 WeakPolarHBondContact O-CA 3.41Å; L334-G347 CarbonylContact O-C 3.51Å; L334-G347 VanDerWaalsContact O-CA 3.3Å; L334-G347 WeakPolarHBondContact O-CA 3.3Å; L334-V348 HydrophobicContact CB-CG2 3.76Å; L334-V348 PolarHBondContact N-O 2.77Å; L334-V348 PolarHBondContact O-N 2.78Å |
| 335 | E | 93.8 | Very high | 84.4 | Confident | 29 Ų | 29 | 74 Ų | 74 | 14% | 0.136 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 132.9 | 179.9 | -175.6 | 168.8 | -177.2 | 0 | 0 | 109.5 | L319 D320 R333 H337 Q345 A346 | L319-E335 CarbonylContact C-O 3.59Å; L319-E335 WeakPolarHBondContact CA-O 3.29Å; D320-E335 HydrophobicContact CB-CB 4.49Å; D320-E335 PolarHBondContact N-O 2.74Å; D320-E335 PolarHBondContact O-N 2.79Å; R333-E335 IonicContact CZ-OE2 3.85Å; R333-E335 IonicContact NE-OE2 2.65Å; R333-E335 IonicContact NH2-OE2 2.87Å; R333-E335 PolarHBondContact NH2-OE2 2.82Å; E335-H337 IonicContact OE1-ND1 2.65Å; E335-Q345 PolarHBondContact OE1-NE2 2.78Å; E335-Q345 VanDerWaalsContact OE1-NE2 3.12Å; E335-A346 CarbonylContact C-O 3.58Å; E335-A346 WeakPolarHBondContact CA-O 3.37Å |
| 336 | V | 92.9 | Very high | 84.5 | Confident | 44 Ų | 44 | 73.3 Ų | 73.3 | 27% | 0.267 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.4 | 175.7 | -174.7 | 0 | 0 | 0 | 0 | 106.7 | L317 V318 L319 Q345 A346 | L317-V336 HydrophobicContact CD1-CG1 3.66Å; V318-V336 CarbonylContact O-C 3.55Å; V318-V336 VanDerWaalsContact O-CA 3.31Å; V318-V336 WeakPolarHBondContact O-CA 3.35Å; L319-V336 HydrophobicContact CD1-CG2 3.52Å; V336-Q345 CarbonylContact O-C 3.56Å; V336-Q345 WeakPolarHBondContact O-CA 3.48Å; V336-A346 PolarHBondContact N-O 3.47Å; V336-A346 PolarHBondContact O-N 2.84Å |
| 337 | H | 89.7 | Confident | 84.7 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 23% | 0.227 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 149.7 | 175.7 | 62.4 | -113.7 | 0 | 0 | 0 | 113.1 | V318 D320 E335 I344 Q345 | V318-H337 WeakPolarHBondContact CB-NE2 3.39Å; V318-H337 PolarHBondContact N-O 2.89Å; V318-H337 PolarHBondContact O-N 3.22Å; D320-H337 IonicContact OD2-CE1 3.88Å; E335-H337 IonicContact OE1-ND1 2.65Å; H337-I344 CarbonylContact C-O 3.58Å; H337-I344 VanDerWaalsContact CA-O 3.27Å; H337-I344 WeakPolarHBondContact CA-O 3.41Å; H337-Q345 HydrophobicContact CB-CB 4.46Å; H337-Q345 HydrophobicContact CB-CG 4.24Å |
| 338 | T | 87.4 | Confident | 85.1 | Confident | 8 Ų | 8 | 68.8 Ų | 68.8 | 5% | 0.049 | 37% | 0.37 | C | S | . | . | trans | -115 | 117.8 | 170.5 | 52.2 | 0 | 0 | 0 | 0 | 109.5 | L317 A340 T342 I344 | L317-T338 HydrophobicContact CB-CG2 4.33Å; L317-T338 HydrophobicContact CD1-CG2 3.52Å; T338-A340 PolarHBondContact O-N 2.76Å; T338-T342 PolarHBondContact OG1-O 3.35Å; T338-I344 PolarHBondContact N-O 2.76Å; T338-I344 PolarHBondContact OG1-N 2.84Å; T338-I344 PolarHBondContact OG1-O 3.23Å | ||
| 339 | P | 71.1 | Confident | 85.6 | Confident | 89 Ų | 89 | 64.2 Ų | 64.2 | 58% | 0.578 | 35% | 0.353 | S | S | * | . | trans | -71.9 | -9.3 | 177.2 | -15.6 | 28.1 | 0 | 0 | 0 | 114.4 | N316 | N316-P339 HydrophobicContact CB-CG 4.11Å; N316-P339 WeakPolarHBondContact O-CD 3.33Å | ||
| 340 | A | 65.3 | Low | 85.8 | Confident | 31 Ų | 31 | 61.4 Ų | 61.4 | 26% | 0.256 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -104.4 | -176.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R315 T338 T342 Y343 | R315-A340 HydrophobicContact CB-CB 3.75Å; T338-A340 PolarHBondContact O-N 2.76Å; A340-T342 CarbonylContact O-C 3.56Å; A340-T342 PolarHBondContact O-N 2.66Å; A340-Y343 PolarHBondContact O-N 3.42Å; A340-Y343 VanDerWaalsContact O-N 3.16Å |
| 341 | A | 57.4 | Low | 85.8 | Confident | 91 Ų | 91 | 57.7 Ų | 57.7 | 75% | 0.752 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -51.2 | -21.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y343 | A341-Y343 VanDerWaalsContact C-N 3.26Å; A341-Y343 PolarHBondContact O-N 3.05Å |
| 342 | T | 62.1 | Low | 85.7 | Confident | 68 Ų | 68 | 59.7 Ų | 59.7 | 42% | 0.417 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -91.3 | 52.4 | 172.1 | 56.2 | 0 | 0 | 0 | 0 | 110.6 | T338 A340 I344 | T338-T342 PolarHBondContact OG1-O 3.35Å; A340-T342 CarbonylContact O-C 3.56Å; A340-T342 PolarHBondContact O-N 2.66Å; T342-I344 PolarHBondContact O-N 2.78Å |
| 343 | Y | 73.1 | Confident | 85.4 | Confident | 100 Ų | 100 | 61.2 Ų | 61.2 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | trans | -54.8 | 111.5 | -173.3 | -178.2 | -96.3 | 0 | 0 | 0 | 110.5 | A340 A341 Q345 A364 S365 L366 | A340-Y343 PolarHBondContact O-N 3.42Å; A340-Y343 VanDerWaalsContact O-N 3.16Å; A341-Y343 VanDerWaalsContact C-N 3.26Å; A341-Y343 PolarHBondContact O-N 3.05Å; Y343-Q345 PolarHBondContact OH-OE1 2.78Å; Y343-A364 HydrophobicContact CE1-CB 4.08Å; Y343-S365 CarbonylContact O-C 3.56Å; Y343-S365 VanDerWaalsContact O-CA 3.23Å; Y343-S365 WeakPolarHBondContact O-CA 3.44Å; Y343-L366 PolarHBondContact O-N 3.2Å | ||
| 344 | I | 82.4 | Confident | 85 | Confident | 81 Ų | 81 | 61.9 Ų | 61.9 | 42% | 0.415 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 126.5 | 172 | -63.7 | 174 | 0 | 0 | 0 | 105.5 | H337 T338 T342 A364 | H337-I344 CarbonylContact C-O 3.58Å; H337-I344 VanDerWaalsContact CA-O 3.27Å; H337-I344 WeakPolarHBondContact CA-O 3.41Å; T338-I344 PolarHBondContact N-O 2.76Å; T338-I344 PolarHBondContact OG1-N 2.84Å; T338-I344 PolarHBondContact OG1-O 3.23Å; T342-I344 PolarHBondContact O-N 2.78Å; I344-A364 CarbonylContact C-O 3.59Å; I344-A364 WeakPolarHBondContact CA-O 3.38Å |
| 345 | Q | 88.6 | Confident | 84.5 | Confident | 60 Ų | 60 | 64.1 Ų | 64.1 | 28% | 0.28 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 117.4 | 172.6 | -175.8 | -179.6 | 21.1 | 0 | 0 | 107.8 | E335 V336 H337 Y343 L363 A364 | E335-Q345 PolarHBondContact OE1-NE2 2.78Å; E335-Q345 VanDerWaalsContact OE1-NE2 3.12Å; V336-Q345 CarbonylContact O-C 3.56Å; V336-Q345 WeakPolarHBondContact O-CA 3.48Å; H337-Q345 HydrophobicContact CB-CB 4.46Å; H337-Q345 HydrophobicContact CB-CG 4.24Å; Y343-Q345 PolarHBondContact OH-OE1 2.78Å; Q345-L363 CarbonylContact O-C 3.58Å; Q345-L363 WeakPolarHBondContact O-CA 3.46Å; Q345-A364 HydrophobicContact CB-CB 4.45Å; Q345-A364 PolarHBondContact N-O 2.73Å; Q345-A364 PolarHBondContact O-N 3.49Å |
| 346 | A | 91.5 | Very high | 84.3 | Confident | 33 Ų | 33 | 63.3 Ų | 63.3 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 124.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | E335 V336 S362 L363 | E335-A346 CarbonylContact C-O 3.58Å; E335-A346 WeakPolarHBondContact CA-O 3.37Å; V336-A346 PolarHBondContact N-O 3.47Å; V336-A346 PolarHBondContact O-N 2.84Å; A346-S362 CarbonylContact C-O 3.57Å; A346-S362 WeakPolarHBondContact CA-O 3.41Å; A346-L363 HydrophobicContact CB-CD1 3.87Å |
| 347 | G | 92.6 | Very high | 84.3 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 10% | 0.103 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 132.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L334 G361 S362 | L334-G347 CarbonylContact O-C 3.51Å; L334-G347 VanDerWaalsContact O-CA 3.3Å; L334-G347 WeakPolarHBondContact O-CA 3.3Å; G347-G361 CarbonylContact O-C 3.55Å; G347-G361 WeakPolarHBondContact O-CA 3.34Å; G347-S362 PolarHBondContact N-O 3.43Å; G347-S362 PolarHBondContact O-N 3.42Å; G347-S362 PolarHBondContact O-OG 2.76Å |
| 348 | V | 93.1 | Very high | 84.6 | Confident | 83 Ų | 83 | 65 Ų | 65 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 136.4 | 169.4 | -65.1 | 0 | 0 | 0 | 0 | 109.5 | R333 L334 H360 | R333-V348 CarbonylContact C-O 3.54Å; R333-V348 WeakPolarHBondContact CA-O 3.21Å; L334-V348 HydrophobicContact CB-CG2 3.76Å; L334-V348 PolarHBondContact N-O 2.77Å; L334-V348 PolarHBondContact O-N 2.78Å; V348-H360 CarbonylContact C-O 3.6Å; V348-H360 VanDerWaalsContact CA-O 3.26Å; V348-H360 WeakPolarHBondContact CA-O 3.28Å |
| 349 | W | 94.8 | Very high | 84.9 | Confident | 104 Ų | 104 | 66.6 Ų | 66.6 | 39% | 0.394 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 144.5 | 167.7 | 77.1 | -103.2 | 0 | 0 | 0 | 110.1 | A332 R333 A351 K358 A359 H360 | A332-W349 CarbonylContact O-C 3.51Å; A332-W349 VanDerWaalsContact O-CA 3.3Å; A332-W349 WeakPolarHBondContact O-CA 3.26Å; R333-W349 HydrophobicContact CB-CB 4.23Å; R333-W349 HydrophobicContact CG-CB 4.31Å; W349-A351 HydrophobicContact CE3-CB 4.45Å; W349-A351 HydrophobicContact CZ3-CB 4.03Å; W349-K358 HydrophobicContact CH2-CB 3.54Å; W349-K358 HydrophobicContact CH2-CD 4.21Å; W349-K358 HydrophobicContact CH2-CG 4.45Å; W349-K358 HydrophobicContact CZ3-CB 3.65Å; W349-A359 CarbonylContact O-C 3.55Å; W349-A359 VanDerWaalsContact O-CA 3.32Å; W349-A359 WeakPolarHBondContact O-CA 3.22Å; W349-H360 AromaticContact CD1-CD2 3.31Å; W349-H360 AromaticContact CD1-CG 3.47Å; W349-H360 VanDerWaalsContact CD1-CG 3.47Å; W349-H360 HydrophobicContact CD2-CB 3.91Å; W349-H360 HydrophobicContact CG-CB 3.81Å; W349-H360 HydrophobicContact CZ2-CB 3.98Å; W349-H360 PolarHBondContact N-O 2.9Å; W349-H360 AromaticContact NE1-CD2 3.42Å; W349-H360 PolarHBondContact NE1-CD2 3.4Å; W349-H360 AromaticContact NE1-CG 3.17Å; W349-H360 PolarHBondContact O-N 2.87Å |
| 350 | G | 92.9 | Very high | 86 | Confident | 26 Ų | 26 | 64.3 Ų | 64.3 | 27% | 0.268 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 138 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | A331 A332 K358 | A331-G350 CarbonylContact C-O 3.59Å; A331-G350 VanDerWaalsContact CA-O 3.3Å; A331-G350 WeakPolarHBondContact CA-O 3.21Å; A332-G350 PolarHBondContact N-O 2.84Å; A332-G350 PolarHBondContact O-N 3.13Å; G350-K358 CarbonylContact C-O 3.56Å; G350-K358 VanDerWaalsContact CA-O 3.23Å; G350-K358 WeakPolarHBondContact CA-O 3.49Å |
| 351 | A | 93.8 | Very high | 87.3 | Confident | 15 Ų | 15 | 64 Ų | 64 | 12% | 0.124 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 132.4 | 175 | 0 | 0 | 0 | 0 | 0 | 109.9 | K330 A331 W349 V357 K358 | K330-A351 CarbonylContact O-C 3.51Å; K330-A351 VanDerWaalsContact O-CA 3.3Å; K330-A351 WeakPolarHBondContact O-CA 3.26Å; A331-A351 HydrophobicContact CB-CB 4.31Å; W349-A351 HydrophobicContact CE3-CB 4.45Å; W349-A351 HydrophobicContact CZ3-CB 4.03Å; A351-V357 CarbonylContact O-C 3.58Å; A351-V357 WeakPolarHBondContact O-CA 3.3Å; A351-K358 PolarHBondContact N-O 2.75Å; A351-K358 PolarHBondContact O-N 3.39Å |
| 352 | V | 92.1 | Very high | 89.1 | Confident | 70 Ų | 70 | 61.1 Ų | 61.1 | 42% | 0.424 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 114.2 | 169 | -179.8 | 0 | 0 | 0 | 0 | 106.4 | E329 K330 V357 | E329-V352 CarbonylContact C-O 3.56Å; E329-V352 VanDerWaalsContact CA-O 3.26Å; E329-V352 WeakPolarHBondContact CA-O 3.37Å; K330-V352 HydrophobicContact CB-CB 4.46Å; K330-V352 PolarHBondContact N-O 2.84Å; K330-V352 PolarHBondContact O-N 2.88Å; V352-V357 HydrophobicContact CG1-CG2 4.39Å; V352-V357 HydrophobicContact CG2-CG1 4.41Å; V352-V357 HydrophobicContact CG2-CG2 4.41Å |
| 353 | E | 88.8 | Confident | 90.5 | Very high | 81 Ų | 81 | 61.5 Ų | 61.5 | 38% | 0.379 | 33% | 0.332 | S | S | . | . | trans | -103.7 | 174.4 | 173.6 | -62.4 | 171.8 | -160.6 | 0 | 0 | 109 | Q355 A356 K358 | E353-Q355 PolarHBondContact O-N 2.82Å; E353-Q355 VanDerWaalsContact O-N 3.1Å; E353-A356 WeakPolarHBondContact CA-O 3.49Å; E353-A356 HydrophobicContact CB-CB 4.3Å; E353-A356 PolarHBondContact N-O 2.87Å; E353-K358 IonicContact OE1-NZ 2.85Å; E353-K358 PolarHBondContact OE1-NZ 2.78Å; E353-K358 IonicContact OE2-NZ 3.4Å; E353-K358 PolarHBondContact OE2-NZ 2.79Å | ||
| 354 | K | 85.6 | Confident | 91.2 | Very high | 150 Ų | 150 | 57.6 Ų | 57.6 | 65% | 0.652 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -57.2 | -30.6 | -176.6 | -69.6 | 178.9 | -174.7 | 171.1 | 0 | 114.5 | R328 | R328-K354 HydrophobicContact CB-CG 4.17Š|
| 355 | Q | 86.6 | Confident | 91.4 | Very high | 124 Ų | 124 | 55.1 Ų | 55.1 | 58% | 0.579 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -135.9 | 5.4 | -173.7 | -78.1 | -177 | -12 | 0 | 0 | 112.5 | E353 S379 | E353-Q355 PolarHBondContact O-N 2.82Å; E353-Q355 VanDerWaalsContact O-N 3.1Å; Q355-S379 VanDerWaalsContact CB-O 3.27Å; Q355-S379 WeakPolarHBondContact CB-O 3.41Å; Q355-S379 WeakPolarHBondContact CG-O 3.39Å; Q355-S379 PolarHBondContact O-N 2.81Å |
| 356 | A | 89.8 | Confident | 91.2 | Very high | 13 Ų | 13 | 57.7 Ų | 57.7 | 11% | 0.107 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 146.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E353 L377 E378 | E353-A356 WeakPolarHBondContact CA-O 3.49Å; E353-A356 HydrophobicContact CB-CB 4.3Å; E353-A356 PolarHBondContact N-O 2.87Å; A356-L377 CarbonylContact C-O 3.51Å; A356-L377 WeakPolarHBondContact CA-O 3.43Å; A356-E378 HydrophobicContact CB-CG 4.37Å |
| 357 | V | 92.6 | Very high | 90.8 | Very high | 65 Ų | 65 | 66.8 Ų | 66.8 | 39% | 0.394 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.5 | 169.5 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | A351 V352 S376 L377 | A351-V357 CarbonylContact O-C 3.58Å; A351-V357 WeakPolarHBondContact O-CA 3.3Å; V352-V357 HydrophobicContact CG1-CG2 4.39Å; V352-V357 HydrophobicContact CG2-CG1 4.41Å; V352-V357 HydrophobicContact CG2-CG2 4.41Å; V357-S376 CarbonylContact O-C 3.46Å; V357-S376 VanDerWaalsContact O-CA 3.3Å; V357-S376 WeakPolarHBondContact O-CA 3.23Å; V357-L377 HydrophobicContact CB-CB 4.38Å; V357-L377 PolarHBondContact N-O 2.81Å; V357-L377 PolarHBondContact O-N 2.82Å |
| 358 | K | 94.3 | Very high | 90.4 | Very high | 62 Ų | 62 | 69.6 Ų | 69.6 | 27% | 0.27 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136.8 | 178.1 | -62.6 | 170.8 | -173.7 | 151.3 | 0 | 108.7 | W349 G350 A351 E353 V375 | W349-K358 HydrophobicContact CH2-CB 3.54Å; W349-K358 HydrophobicContact CH2-CD 4.21Å; W349-K358 HydrophobicContact CH2-CG 4.45Å; W349-K358 HydrophobicContact CZ3-CB 3.65Å; G350-K358 CarbonylContact C-O 3.56Å; G350-K358 VanDerWaalsContact CA-O 3.23Å; G350-K358 WeakPolarHBondContact CA-O 3.49Å; A351-K358 PolarHBondContact N-O 2.75Å; A351-K358 PolarHBondContact O-N 3.39Å; E353-K358 IonicContact OE1-NZ 2.85Å; E353-K358 PolarHBondContact OE1-NZ 2.78Å; E353-K358 IonicContact OE2-NZ 3.4Å; E353-K358 PolarHBondContact OE2-NZ 2.79Å; K358-V375 CarbonylContact C-O 3.53Å; K358-V375 WeakPolarHBondContact CA-O 3.32Å |
| 359 | A | 94.4 | Very high | 90.1 | Very high | 43 Ų | 43 | 69.4 Ų | 69.4 | 36% | 0.355 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 147 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | W349 N374 V375 | W349-A359 CarbonylContact O-C 3.55Å; W349-A359 VanDerWaalsContact O-CA 3.32Å; W349-A359 WeakPolarHBondContact O-CA 3.22Å; A359-N374 CarbonylContact O-C 3.58Å; A359-N374 WeakPolarHBondContact O-CA 3.44Å; A359-V375 HydrophobicContact CB-CB 4.44Å; A359-V375 PolarHBondContact N-O 2.79Å; A359-V375 PolarHBondContact O-N 2.8Å |
| 360 | H | 94.5 | Very high | 89.8 | Confident | 41 Ų | 41 | 67.5 Ų | 67.5 | 19% | 0.19 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 139.8 | 178.4 | 172.7 | 84.6 | 0 | 0 | 0 | 109.5 | V348 W349 A373 N374 | V348-H360 CarbonylContact C-O 3.6Å; V348-H360 VanDerWaalsContact CA-O 3.26Å; V348-H360 WeakPolarHBondContact CA-O 3.28Å; W349-H360 AromaticContact CD1-CD2 3.31Å; W349-H360 AromaticContact CD1-CG 3.47Å; W349-H360 VanDerWaalsContact CD1-CG 3.47Å; W349-H360 HydrophobicContact CD2-CB 3.91Å; W349-H360 HydrophobicContact CG-CB 3.81Å; W349-H360 HydrophobicContact CZ2-CB 3.98Å; W349-H360 PolarHBondContact N-O 2.9Å; W349-H360 AromaticContact NE1-CD2 3.42Å; W349-H360 PolarHBondContact NE1-CD2 3.4Å; W349-H360 AromaticContact NE1-CG 3.17Å; W349-H360 PolarHBondContact O-N 2.87Å; H360-A373 CarbonylContact C-O 3.55Å; H360-A373 WeakPolarHBondContact CA-O 3.3Å; H360-A373 PolarHBondContact ND1-O 2.92Å; H360-N374 PolarHBondContact ND1-OD1 3.29Å |
| 361 | G | 93.4 | Very high | 89.8 | Confident | 23 Ų | 23 | 70 Ų | 70 | 24% | 0.237 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140.3 | 170 | 0 | 0 | 0 | 0 | 0 | 109.4 | G347 K372 A373 | G347-G361 CarbonylContact O-C 3.55Å; G347-G361 WeakPolarHBondContact O-CA 3.34Å; G361-K372 CarbonylContact O-C 3.51Å; G361-K372 VanDerWaalsContact O-CA 3.29Å; G361-K372 WeakPolarHBondContact O-CA 3.45Å; G361-A373 PolarHBondContact N-O 2.77Å; G361-A373 PolarHBondContact O-N 2.87Å |
| 362 | S | 93.4 | Very high | 89.7 | Confident | 32 Ų | 32 | 74.4 Ų | 74.4 | 22% | 0.224 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 138.8 | 171.3 | 60.1 | 0 | 0 | 0 | 0 | 109.3 | A346 G347 L371 | A346-S362 CarbonylContact C-O 3.57Å; A346-S362 WeakPolarHBondContact CA-O 3.41Å; G347-S362 PolarHBondContact N-O 3.43Å; G347-S362 PolarHBondContact O-N 3.42Å; G347-S362 PolarHBondContact O-OG 2.76Å; S362-L371 CarbonylContact C-O 3.6Å; S362-L371 WeakPolarHBondContact CA-O 3.48Å |
| 363 | L | 91.8 | Very high | 89.8 | Confident | 76 Ų | 76 | 73 Ų | 73 | 40% | 0.398 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 120.5 | 174.8 | 178.3 | 67.4 | 0 | 0 | 0 | 107.8 | Q345 A346 P370 L371 | Q345-L363 CarbonylContact O-C 3.58Å; Q345-L363 WeakPolarHBondContact O-CA 3.46Å; A346-L363 HydrophobicContact CB-CD1 3.87Å; L363-P370 WeakPolarHBondContact O-CA 3.2Å; L363-L371 HydrophobicContact CB-CB 4.4Å; L363-L371 PolarHBondContact N-O 3.44Å; L363-L371 PolarHBondContact O-N 2.83Å |
| 364 | A | 88.4 | Confident | 90 | Very high | 18 Ų | 18 | 72 Ų | 72 | 15% | 0.149 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 138.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y343 I344 Q345 P370 | Y343-A364 HydrophobicContact CE1-CB 4.08Å; I344-A364 CarbonylContact C-O 3.59Å; I344-A364 WeakPolarHBondContact CA-O 3.38Å; Q345-A364 HydrophobicContact CB-CB 4.45Å; Q345-A364 PolarHBondContact N-O 2.73Å; Q345-A364 PolarHBondContact O-N 3.49Å; A364-P370 HydrophobicContact CB-CB 4.32Å |
| 365 | S | 86.9 | Confident | 90.4 | Very high | 28 Ų | 28 | 67.4 Ų | 67.4 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 166.9 | 172.3 | 80.6 | 0 | 0 | 0 | 0 | 109.7 | Y343 W367 T368 | Y343-S365 CarbonylContact O-C 3.56Å; Y343-S365 VanDerWaalsContact O-CA 3.23Å; Y343-S365 WeakPolarHBondContact O-CA 3.44Å; S365-W367 PolarHBondContact O-N 3.39Å; S365-W367 PolarHBondContact OG-N 3.27Å; S365-T368 PolarHBondContact OG-N 3.15Å; S365-T368 PolarHBondContact OG-OG1 2.82Å |
| 366 | L | 83.9 | Confident | 90.8 | Very high | 115 Ų | 115 | 62.8 Ų | 62.8 | 60% | 0.602 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -61.2 | -25.6 | 172.2 | -173.3 | 65.7 | 0 | 0 | 0 | 112.7 | Y343 | Y343-L366 PolarHBondContact O-N 3.2Š|
| 367 | W | 83.7 | Confident | 91 | Very high | 223 Ų | 223 | 65.9 Ų | 65.9 | 85% | 0.845 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -107.1 | -12.3 | -168.5 | -49.7 | -25.7 | 0 | 0 | 0 | 113.7 | S365 | S365-W367 PolarHBondContact O-N 3.39Å; S365-W367 PolarHBondContact OG-N 3.27Å |
| 368 | T | 83.4 | Confident | 90.9 | Very high | 69 Ų | 69 | 67.4 Ų | 67.4 | 42% | 0.423 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -127.9 | 141.7 | -177.4 | 62.8 | 0 | 0 | 0 | 0 | 111 | S365 | S365-T368 PolarHBondContact OG-N 3.15Å; S365-T368 PolarHBondContact OG-OG1 2.82Å |
| 369 | P | 86.4 | Confident | 90.5 | Very high | 79 Ų | 79 | 66.7 Ų | 66.7 | 51% | 0.513 | 37% | 0.371 | S | S | . | . | trans | -53.6 | 147.2 | 170.8 | -23.9 | 33.5 | 0 | 0 | 0 | 111.6 | L371 | P369-L371 PolarHBondContact O-N 2.79Š| ||
| 370 | P | 89 | Confident | 90.1 | Very high | 64 Ų | 64 | 66.7 Ų | 66.7 | 42% | 0.416 | 37% | 0.368 | S | S | . | . | trans | -62.1 | 127 | 177.8 | 26.2 | -33.7 | 0 | 0 | 0 | 109.7 | L363 A364 G393 | L363-P370 WeakPolarHBondContact O-CA 3.2Å; A364-P370 HydrophobicContact CB-CB 4.32Å; P370-G393 PolarHBondContact O-N 3.13Å | ||
| 371 | L | 91.9 | Very high | 89.4 | Confident | 78 Ų | 78 | 74.8 Ų | 74.8 | 41% | 0.408 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128.1 | 173.7 | -178.5 | 70.9 | 0 | 0 | 0 | 108 | S362 L363 P369 T391 C392 | S362-L371 CarbonylContact C-O 3.6Å; S362-L371 WeakPolarHBondContact CA-O 3.48Å; L363-L371 HydrophobicContact CB-CB 4.4Å; L363-L371 PolarHBondContact N-O 3.44Å; L363-L371 PolarHBondContact O-N 2.83Å; P369-L371 PolarHBondContact O-N 2.79Å; L371-T391 CarbonylContact C-O 3.51Å; L371-T391 WeakPolarHBondContact CA-O 3.35Å; L371-C392 HydrophobicContact CD1-CB 4.2Å |
| 372 | K | 93.4 | Very high | 88.7 | Confident | 108 Ų | 108 | 77 Ų | 77 | 47% | 0.47 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 135 | 168.8 | -47.8 | 176.1 | 178.6 | 178.1 | 0 | 109.3 | G361 A390 T391 | G361-K372 CarbonylContact O-C 3.51Å; G361-K372 VanDerWaalsContact O-CA 3.29Å; G361-K372 WeakPolarHBondContact O-CA 3.45Å; K372-A390 CarbonylContact O-C 3.49Å; K372-A390 WeakPolarHBondContact O-CA 3.42Å; K372-T391 WeakPolarHBondContact CB-OG1 3.3Å; K372-T391 PolarHBondContact N-O 2.79Å; K372-T391 PolarHBondContact O-N 2.88Å; K372-T391 PolarHBondContact O-OG1 3.25Å |
| 373 | A | 93.2 | Very high | 88.3 | Confident | 40 Ų | 40 | 77.7 Ų | 77.7 | 33% | 0.331 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 137 | 175 | 0 | 0 | 0 | 0 | 0 | 109.3 | H360 G361 S389 | H360-A373 CarbonylContact C-O 3.55Å; H360-A373 WeakPolarHBondContact CA-O 3.3Å; H360-A373 PolarHBondContact ND1-O 2.92Å; G361-A373 PolarHBondContact N-O 2.77Å; G361-A373 PolarHBondContact O-N 2.87Å; A373-S389 CarbonylContact C-O 3.59Å; A373-S389 VanDerWaalsContact CA-O 3.26Å; A373-S389 WeakPolarHBondContact CA-O 3.11Å |
| 374 | N | 94.1 | Very high | 88.3 | Confident | 62 Ų | 62 | 78.7 Ų | 78.7 | 33% | 0.332 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 141.2 | 170.7 | -53.7 | -65.1 | 0 | 0 | 0 | 108.8 | A359 H360 M388 S389 | A359-N374 CarbonylContact O-C 3.58Å; A359-N374 WeakPolarHBondContact O-CA 3.44Å; H360-N374 PolarHBondContact ND1-OD1 3.29Å; N374-M388 CarbonylContact O-C 3.6Å; N374-M388 VanDerWaalsContact O-CA 3.3Å; N374-M388 WeakPolarHBondContact O-CA 3.4Å; N374-S389 WeakPolarHBondContact CB-OG 3.19Å; N374-S389 PolarHBondContact N-O 2.8Å; N374-S389 PolarHBondContact ND2-OG 2.8Å; N374-S389 VanDerWaalsContact ND2-OG 3.15Å; N374-S389 PolarHBondContact O-N 3.15Å |
| 375 | V | 93.9 | Very high | 88.5 | Confident | 52 Ų | 52 | 79 Ų | 79 | 32% | 0.315 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 128.4 | 171.1 | 179.3 | 0 | 0 | 0 | 0 | 107.3 | K358 A359 L386 L387 M388 | K358-V375 CarbonylContact C-O 3.53Å; K358-V375 WeakPolarHBondContact CA-O 3.32Å; A359-V375 HydrophobicContact CB-CB 4.44Å; A359-V375 PolarHBondContact N-O 2.79Å; A359-V375 PolarHBondContact O-N 2.8Å; V375-L386 HydrophobicContact CG1-CD1 3.94Å; V375-L387 CarbonylContact C-O 3.48Å; V375-L387 WeakPolarHBondContact CA-O 3.37Å; V375-M388 HydrophobicContact CG1-CG 4.12Å; V375-M388 HydrophobicContact CG2-CE 3.97Å; V375-M388 HydrophobicContact CG2-CG 4.12Å |
| 376 | S | 94.3 | Very high | 88.8 | Confident | 27 Ų | 27 | 80.1 Ų | 80.1 | 19% | 0.189 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 128.4 | 170.8 | 56.2 | 0 | 0 | 0 | 0 | 110.3 | V357 L386 L387 | V357-S376 CarbonylContact O-C 3.46Å; V357-S376 VanDerWaalsContact O-CA 3.3Å; V357-S376 WeakPolarHBondContact O-CA 3.23Å; S376-L386 CarbonylContact O-C 3.52Å; S376-L386 WeakPolarHBondContact O-CA 3.37Å; S376-L387 PolarHBondContact N-O 2.85Å; S376-L387 PolarHBondContact O-N 3.3Å; S376-L387 WeakPolarHBondContact OG-CB 3.36Å |
| 377 | L | 93.3 | Very high | 89.3 | Confident | 79 Ų | 79 | 77.9 Ų | 77.9 | 41% | 0.414 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 118.4 | 174.7 | 177.1 | 68.7 | 0 | 0 | 0 | 107.7 | A356 V357 A385 L386 | A356-L377 CarbonylContact C-O 3.51Å; A356-L377 WeakPolarHBondContact CA-O 3.43Å; V357-L377 HydrophobicContact CB-CB 4.38Å; V357-L377 PolarHBondContact N-O 2.81Å; V357-L377 PolarHBondContact O-N 2.82Å; L377-A385 CarbonylContact C-O 3.58Å; L377-A385 WeakPolarHBondContact CA-O 3.3Å; L377-L386 HydrophobicContact CB-CD1 4.39Å; L377-L386 HydrophobicContact CD1-CB 4.23Å; L377-L386 HydrophobicContact CD1-CD1 4.43Å |
| 378 | E | 91.6 | Very high | 89.8 | Confident | 96 Ų | 96 | 71 Ų | 71 | 45% | 0.449 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 134 | 177.3 | -63.1 | -176.3 | 173.9 | 0 | 0 | 109.3 | A356 H384 A385 | A356-E378 HydrophobicContact CB-CG 4.37Å; E378-H384 CarbonylContact O-C 3.57Å; E378-H384 WeakPolarHBondContact O-CA 3.35Å; E378-A385 PolarHBondContact N-O 3.24Å; E378-A385 PolarHBondContact O-N 3.11Å |
| 379 | S | 86.3 | Confident | 90.3 | Very high | 48 Ų | 48 | 69.5 Ų | 69.5 | 34% | 0.336 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 111 | -174 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | Q355 H384 | Q355-S379 VanDerWaalsContact CB-O 3.27Å; Q355-S379 WeakPolarHBondContact CB-O 3.41Å; Q355-S379 WeakPolarHBondContact CG-O 3.39Å; Q355-S379 PolarHBondContact O-N 2.81Å; S379-H384 PolarHBondContact OG-CE1 2.79Å; S379-H384 PolarHBondContact OG-ND1 2.78Å |
| 380 | S | 84.3 | Confident | 90.6 | Very high | 43 Ų | 43 | 67.7 Ų | 67.7 | 30% | 0.301 | 38% | 0.379 | S | S | . | . | trans | -102 | -175.7 | 171.4 | 88.8 | 0 | 0 | 0 | 0 | 111 | S382 S383 | S380-S382 PolarHBondContact O-N 3.16Å; S380-S382 PolarHBondContact OG-N 2.83Å; S380-S383 WeakPolarHBondContact CB-OG 3.37Å; S380-S383 PolarHBondContact N-O 2.76Å; S380-S383 PolarHBondContact OG-N 2.81Å; S380-S383 PolarHBondContact OG-O 2.82Å; S380-S383 PolarHBondContact OG-OG 2.78Å | ||
| 381 | K | 80.7 | Confident | 90.7 | Very high | 210 Ų | 210 | 66.6 Ų | 66.6 | 91% | 0.913 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -63.5 | -26.1 | 178.2 | -74 | -176.8 | 178.5 | 178.4 | 0 | 113.6 | ||
| 382 | S | 79.6 | Confident | 90.5 | Very high | 70 Ų | 70 | 66 Ų | 66 | 49% | 0.49 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -138.8 | 5.1 | -174.8 | 66.4 | 0 | 0 | 0 | 0 | 113.5 | S380 S404 G405 | S380-S382 PolarHBondContact O-N 3.16Å; S380-S382 PolarHBondContact OG-N 2.83Å; S382-S404 CarbonylContact O-C 3.55Å; S382-S404 WeakPolarHBondContact O-CA 3.47Å; S382-G405 VanDerWaalsContact CB-O 3.32Å; S382-G405 WeakPolarHBondContact CB-O 3.3Å; S382-G405 PolarHBondContact O-N 2.8Å; S382-G405 PolarHBondContact OG-O 2.72Å |
| 383 | S | 84.9 | Confident | 90.1 | Very high | 47 Ų | 47 | 62.8 Ų | 62.8 | 33% | 0.329 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 140 | 176 | 66 | 0 | 0 | 0 | 0 | 111.7 | S380 V403 | S380-S383 WeakPolarHBondContact CB-OG 3.37Å; S380-S383 PolarHBondContact N-O 2.76Å; S380-S383 PolarHBondContact OG-N 2.81Å; S380-S383 PolarHBondContact OG-O 2.82Å; S380-S383 PolarHBondContact OG-OG 2.78Å; S383-V403 CarbonylContact C-O 3.52Å; S383-V403 VanDerWaalsContact CA-O 3.26Å; S383-V403 WeakPolarHBondContact CA-O 3.34Å |
| 384 | H | 90.8 | Very high | 89.7 | Confident | 97 Ų | 97 | 71.1 Ų | 71.1 | 45% | 0.449 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 126.2 | 174.2 | -56.9 | -75.9 | 0 | 0 | 0 | 108.3 | E378 S379 A402 V403 | E378-H384 CarbonylContact O-C 3.57Å; E378-H384 WeakPolarHBondContact O-CA 3.35Å; S379-H384 PolarHBondContact OG-CE1 2.79Å; S379-H384 PolarHBondContact OG-ND1 2.78Å; H384-A402 CarbonylContact O-C 3.6Å; H384-A402 WeakPolarHBondContact O-CA 3.43Å; H384-V403 PolarHBondContact N-O 2.81Å; H384-V403 PolarHBondContact O-N 2.77Å |
| 385 | A | 92.3 | Very high | 89.4 | Confident | 24 Ų | 24 | 72.7 Ų | 72.7 | 20% | 0.198 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 132.3 | -179 | 0 | 0 | 0 | 0 | 0 | 110.8 | L377 E378 A401 A402 | L377-A385 CarbonylContact C-O 3.58Å; L377-A385 WeakPolarHBondContact CA-O 3.3Å; E378-A385 PolarHBondContact N-O 3.24Å; E378-A385 PolarHBondContact O-N 3.11Å; A385-A401 CarbonylContact C-O 3.5Å; A385-A401 WeakPolarHBondContact CA-O 3.4Å; A385-A402 HydrophobicContact CB-CB 4.14Å |
| 386 | L | 93.6 | Very high | 89.3 | Confident | 51 Ų | 51 | 73 Ų | 73 | 27% | 0.267 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 121.5 | 173.7 | 175.1 | 65.8 | 0 | 0 | 0 | 108.3 | V375 S376 L377 M388 F399 T400 A401 | V375-L386 HydrophobicContact CG1-CD1 3.94Å; S376-L386 CarbonylContact O-C 3.52Å; S376-L386 WeakPolarHBondContact O-CA 3.37Å; L377-L386 HydrophobicContact CB-CD1 4.39Å; L377-L386 HydrophobicContact CD1-CB 4.23Å; L377-L386 HydrophobicContact CD1-CD1 4.43Å; L386-M388 HydrophobicContact CD1-CG 4.05Å; L386-M388 HydrophobicContact CD1-SD 4.41Å; L386-M388 HydrophobicContact CD2-CG 4.47Å; L386-M388 HydrophobicContact CD2-SD 4.02Å; L386-M388 HydrophobicContact CG-CG 4.08Å; L386-M388 HydrophobicContact CG-SD 4.29Å; L386-F399 HydrophobicContact CD2-CE1 4.29Å; L386-T400 CarbonylContact O-C 3.45Å; L386-T400 WeakPolarHBondContact O-CA 3.2Å; L386-A401 HydrophobicContact CB-CB 4.42Å; L386-A401 PolarHBondContact N-O 2.92Å; L386-A401 PolarHBondContact O-N 2.92Å |
| 387 | L | 94.1 | Very high | 89.1 | Confident | 68 Ų | 68 | 74.2 Ų | 74.2 | 36% | 0.356 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.9 | 175 | -65.8 | 141.5 | 0 | 0 | 0 | 107.8 | V375 S376 T400 | V375-L387 CarbonylContact C-O 3.48Å; V375-L387 WeakPolarHBondContact CA-O 3.37Å; S376-L387 PolarHBondContact N-O 2.85Å; S376-L387 PolarHBondContact O-N 3.3Å; S376-L387 WeakPolarHBondContact OG-CB 3.36Å; L387-T400 HydrophobicContact CD2-CG2 3.66Å; L387-T400 HydrophobicContact CG-CG2 4.35Å |
| 388 | M | 94.3 | Very high | 89.1 | Confident | 79 Ų | 79 | 72.7 Ų | 72.7 | 39% | 0.389 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 133.7 | 176.2 | -58 | 177.3 | 69.2 | 0 | 0 | 108.4 | N374 V375 L386 S398 F399 | N374-M388 CarbonylContact O-C 3.6Å; N374-M388 VanDerWaalsContact O-CA 3.3Å; N374-M388 WeakPolarHBondContact O-CA 3.4Å; V375-M388 HydrophobicContact CG1-CG 4.12Å; V375-M388 HydrophobicContact CG2-CE 3.97Å; V375-M388 HydrophobicContact CG2-CG 4.12Å; L386-M388 HydrophobicContact CD1-CG 4.05Å; L386-M388 HydrophobicContact CD1-SD 4.41Å; L386-M388 HydrophobicContact CD2-CG 4.47Å; L386-M388 HydrophobicContact CD2-SD 4.02Å; L386-M388 HydrophobicContact CG-CG 4.08Å; L386-M388 HydrophobicContact CG-SD 4.29Å; M388-S398 CarbonylContact O-C 3.54Å; M388-S398 WeakPolarHBondContact O-CA 3.28Å; M388-F399 HydrophobicContact CB-CB 4.27Å; M388-F399 HydrophobicContact CB-CD1 4.42Å; M388-F399 HydrophobicContact CG-CD1 4.38Å; M388-F399 PolarHBondContact N-O 2.84Å; M388-F399 PolarHBondContact O-N 2.96Å; M388-F399 VanDerWaalsContact O-O 3.13Å; M388-F399 HydrophobicContact SD-CD1 4.15Å |
| 389 | S | 93.9 | Very high | 89.2 | Confident | 38 Ų | 38 | 71 Ų | 71 | 27% | 0.266 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 139.8 | 172.1 | 54 | 0 | 0 | 0 | 0 | 110.1 | A373 N374 V397 | A373-S389 CarbonylContact C-O 3.59Å; A373-S389 VanDerWaalsContact CA-O 3.26Å; A373-S389 WeakPolarHBondContact CA-O 3.11Å; N374-S389 WeakPolarHBondContact CB-OG 3.19Å; N374-S389 PolarHBondContact N-O 2.8Å; N374-S389 PolarHBondContact ND2-OG 2.8Å; N374-S389 VanDerWaalsContact ND2-OG 3.15Å; N374-S389 PolarHBondContact O-N 3.15Å; S389-V397 CarbonylContact C-O 3.59Å; S389-V397 VanDerWaalsContact CA-O 3.3Å; S389-V397 WeakPolarHBondContact CA-O 3.3Å |
| 390 | A | 93.1 | Very high | 89.6 | Confident | 41 Ų | 41 | 70.8 Ų | 70.8 | 34% | 0.339 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 127.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | K372 N396 V397 | K372-A390 CarbonylContact O-C 3.49Å; K372-A390 WeakPolarHBondContact O-CA 3.42Å; A390-N396 PolarHBondContact O-OD1 2.88Å; A390-V397 PolarHBondContact N-O 2.79Å; A390-V397 PolarHBondContact O-N 2.88Å |
| 391 | T | 91.9 | Very high | 90 | Very high | 41 Ų | 41 | 70 Ų | 70 | 25% | 0.252 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 129.7 | 177.5 | 57.7 | 0 | 0 | 0 | 0 | 108.8 | L371 K372 Q395 N396 | L371-T391 CarbonylContact C-O 3.51Å; L371-T391 WeakPolarHBondContact CA-O 3.35Å; K372-T391 WeakPolarHBondContact CB-OG1 3.3Å; K372-T391 PolarHBondContact N-O 2.79Å; K372-T391 PolarHBondContact O-N 2.88Å; K372-T391 PolarHBondContact O-OG1 3.25Å; T391-Q395 WeakPolarHBondContact CA-O 3.38Å; T391-N396 HydrophobicContact CG2-CB 3.99Å |
| 392 | C | 88.1 | Confident | 90.6 | Very high | 64 Ų | 64 | 61.5 Ų | 61.5 | 43% | 0.432 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 106.6 | 175.2 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | L371 R394 Q395 | L371-C392 HydrophobicContact CD1-CB 4.2Å; C392-R394 PolarHBondContact O-N 3Å; C392-Q395 PolarHBondContact N-O 2.76Å; C392-Q395 PolarHBondContact O-N 2.83Å |
| 393 | G | 85.1 | Confident | 91.1 | Very high | 41 Ų | 41 | 61.9 Ų | 61.9 | 42% | 0.423 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | -106.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P370 | P370-G393 PolarHBondContact O-N 3.13Š|
| 394 | R | 84.6 | Confident | 91.2 | Very high | 215 Ų | 215 | 61.5 Ų | 61.5 | 81% | 0.811 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -1.4 | 178.8 | -55.8 | -175 | 178.8 | -179.8 | -0.5 | 114.4 | C392 P424 | C392-R394 PolarHBondContact O-N 3Å; R394-P424 HydrophobicContact CB-CG 3.5Å; R394-P424 HydrophobicContact CG-CG 4.41Å; R394-P424 WeakPolarHBondContact O-CD 2.95Å |
| 395 | Q | 87.7 | Confident | 90.7 | Very high | 96 Ų | 96 | 58.2 Ų | 58.2 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 139.1 | -180 | -54.9 | -174.7 | 8 | 0 | 0 | 109.4 | T391 C392 K423 | T391-Q395 WeakPolarHBondContact CA-O 3.38Å; C392-Q395 PolarHBondContact N-O 2.76Å; C392-Q395 PolarHBondContact O-N 2.83Å; Q395-K423 HydrophobicContact CG-CG 4.24Å |
| 396 | N | 90.8 | Very high | 89.7 | Confident | 58 Ų | 58 | 59.8 Ų | 59.8 | 31% | 0.31 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129.4 | 177.4 | 178.2 | 22.2 | 0 | 0 | 0 | 110.1 | A390 T391 T422 | A390-N396 PolarHBondContact O-OD1 2.88Å; T391-N396 HydrophobicContact CG2-CB 3.99Å; N396-T422 WeakPolarHBondContact CB-OG1 3.26Å; N396-T422 PolarHBondContact N-O 3.49Å; N396-T422 PolarHBondContact O-N 2.82Å; N396-T422 PolarHBondContact O-OG1 2.98Å; N396-T422 VanDerWaalsContact O-OG1 3.05Å |
| 397 | V | 91.4 | Very high | 88.1 | Confident | 53 Ų | 53 | 62.1 Ų | 62.1 | 32% | 0.321 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.2 | 177.6 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | S389 A390 M419 G420 I421 | S389-V397 CarbonylContact C-O 3.59Å; S389-V397 VanDerWaalsContact CA-O 3.3Å; S389-V397 WeakPolarHBondContact CA-O 3.3Å; A390-V397 PolarHBondContact N-O 2.79Å; A390-V397 PolarHBondContact O-N 2.88Å; V397-M419 HydrophobicContact CG1-CE 4.46Å; V397-G420 CarbonylContact C-O 3.13Å; V397-G420 WeakPolarHBondContact CA-O 3.48Å; V397-I421 HydrophobicContact CG1-CG1 4.37Å; V397-I421 HydrophobicContact CG2-CG1 4.27Å; V397-I421 HydrophobicContact CG2-CG2 4.4Å |
| 398 | S | 92.8 | Very high | 86.4 | Confident | 46 Ų | 46 | 68.9 Ų | 68.9 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 138.5 | 177.2 | 58 | 0 | 0 | 0 | 0 | 110.5 | M388 M419 G420 | M388-S398 CarbonylContact O-C 3.54Å; M388-S398 WeakPolarHBondContact O-CA 3.28Å; S398-M419 CarbonylContact O-C 3.53Å; S398-M419 WeakPolarHBondContact O-CA 3.37Å; S398-G420 PolarHBondContact N-O 2.84Å; S398-G420 PolarHBondContact O-N 3.46Å |
| 399 | F | 93.6 | Very high | 84.8 | Confident | 62 Ų | 62 | 72.2 Ų | 72.2 | 27% | 0.272 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 127.1 | 175.5 | 174.9 | -88.9 | 0 | 0 | 0 | 108.6 | L386 M388 A401 L417 K418 M419 | L386-F399 HydrophobicContact CD2-CE1 4.29Å; M388-F399 HydrophobicContact CB-CB 4.27Å; M388-F399 HydrophobicContact CB-CD1 4.42Å; M388-F399 HydrophobicContact CG-CD1 4.38Å; M388-F399 PolarHBondContact N-O 2.84Å; M388-F399 PolarHBondContact O-N 2.96Å; M388-F399 VanDerWaalsContact O-O 3.13Å; M388-F399 HydrophobicContact SD-CD1 4.15Å; F399-A401 HydrophobicContact CE1-CB 3.87Å; F399-A401 HydrophobicContact CZ-CB 4.17Å; F399-L417 HydrophobicContact CD2-CD1 4.41Å; F399-L417 HydrophobicContact CE1-CD1 4.22Å; F399-L417 HydrophobicContact CE2-CD1 3.39Å; F399-L417 HydrophobicContact CE2-CG 4.29Å; F399-L417 HydrophobicContact CZ-CD1 3.28Å; F399-K418 CarbonylContact C-O 3.58Å; F399-K418 WeakPolarHBondContact CA-O 3.44Å; F399-M419 HydrophobicContact CD2-CB 4.3Å |
| 400 | T | 93.7 | Very high | 83.2 | Confident | 43 Ų | 43 | 72.8 Ų | 72.8 | 26% | 0.264 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 126.6 | 179.6 | -54.1 | 0 | 0 | 0 | 0 | 108.3 | L386 L387 L417 K418 | L386-T400 CarbonylContact O-C 3.45Å; L386-T400 WeakPolarHBondContact O-CA 3.2Å; L387-T400 HydrophobicContact CD2-CG2 3.66Å; L387-T400 HydrophobicContact CG-CG2 4.35Å; T400-L417 CarbonylContact O-C 3.57Å; T400-L417 WeakPolarHBondContact O-CA 3.43Å; T400-K418 PolarHBondContact N-O 3.42Å; T400-K418 PolarHBondContact O-N 3.08Å |
| 401 | A | 93.7 | Very high | 82.4 | Confident | 27 Ų | 27 | 77.1 Ų | 77.1 | 22% | 0.223 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 123.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | A385 L386 F399 I416 L417 | A385-A401 CarbonylContact C-O 3.5Å; A385-A401 WeakPolarHBondContact CA-O 3.4Å; L386-A401 HydrophobicContact CB-CB 4.42Å; L386-A401 PolarHBondContact N-O 2.92Å; L386-A401 PolarHBondContact O-N 2.92Å; F399-A401 HydrophobicContact CE1-CB 3.87Å; F399-A401 HydrophobicContact CZ-CB 4.17Å; A401-I416 CarbonylContact C-O 3.58Å; A401-I416 VanDerWaalsContact CA-O 3.31Å; A401-I416 WeakPolarHBondContact CA-O 3.36Å; A401-L417 HydrophobicContact CB-CD1 3.82Å |
| 402 | A | 92.8 | Very high | 82 | Confident | 30 Ų | 30 | 78.5 Ų | 78.5 | 25% | 0.248 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 137.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | H384 A385 A415 I416 | H384-A402 CarbonylContact O-C 3.6Å; H384-A402 WeakPolarHBondContact O-CA 3.43Å; A385-A402 HydrophobicContact CB-CB 4.14Å; A402-A415 CarbonylContact O-C 3.52Å; A402-A415 VanDerWaalsContact O-CA 3.31Å; A402-A415 WeakPolarHBondContact O-CA 3.31Å; A402-I416 PolarHBondContact N-O 3.4Å; A402-I416 PolarHBondContact O-N 3.14Å |
| 403 | V | 89.8 | Confident | 81.9 | Confident | 79 Ų | 79 | 84.2 Ų | 84.2 | 48% | 0.479 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 123.6 | 172.9 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | S383 H384 Q414 A415 | S383-V403 CarbonylContact C-O 3.52Å; S383-V403 VanDerWaalsContact CA-O 3.26Å; S383-V403 WeakPolarHBondContact CA-O 3.34Å; H384-V403 PolarHBondContact N-O 2.81Å; H384-V403 PolarHBondContact O-N 2.77Å; V403-Q414 CarbonylContact C-O 3.59Å; V403-Q414 VanDerWaalsContact CA-O 3.29Å; V403-Q414 WeakPolarHBondContact CA-O 3.38Å; V403-A415 HydrophobicContact CG2-CB 4.09Å |
| 404 | S | 87.4 | Confident | 82.1 | Confident | 38 Ų | 38 | 85 Ų | 85 | 27% | 0.266 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 127.2 | 177.3 | 52.5 | 0 | 0 | 0 | 0 | 110.6 | S382 Q414 | S382-S404 CarbonylContact O-C 3.55Å; S382-S404 WeakPolarHBondContact O-CA 3.47Å; S404-Q414 PolarHBondContact N-O 3.03Å; S404-Q414 PolarHBondContact O-N 2.77Å |
| 405 | G | 80.4 | Confident | 82.5 | Confident | 29 Ų | 29 | 76.8 Ų | 76.8 | 30% | 0.299 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 121.7 | 162 | 0 | 0 | 0 | 0 | 0 | 109 | S382 K412 | S382-G405 VanDerWaalsContact CB-O 3.32Å; S382-G405 WeakPolarHBondContact CB-O 3.3Å; S382-G405 PolarHBondContact O-N 2.8Å; S382-G405 PolarHBondContact OG-O 2.72Å; G405-K412 WeakPolarHBondContact CA-O 3.38Å |
| 406 | A | 70.9 | Confident | 82.8 | Confident | 57 Ų | 57 | 74.3 Ų | 74.3 | 47% | 0.471 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 150.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | L410 K412 | A406-L410 VanDerWaalsContact O-O 3.13Å; A406-K412 PolarHBondContact N-O 2.79Å; A406-K412 PolarHBondContact O-N 2.81Å |
| 407 | D | 60.8 | Low | 82.9 | Confident | 100 Ų | 100 | 74.6 Ų | 74.6 | 54% | 0.535 | 40% | 0.401 | S | S | . | . | trans | 77.8 | 137.2 | 165.1 | -152.8 | -6.3 | 0 | 0 | 0 | 117.4 | N409 L410 | D407-N409 PolarHBondContact OD1-N 3.47Å; D407-N409 VanDerWaalsContact OD1-N 3.16Å; D407-L410 HydrophobicContact CB-CB 4.37Å; D407-L410 WeakPolarHBondContact CB-O 3.44Å | ||
| 408 | K | 58.8 | Low | 83 | Confident | 209 Ų | 209 | 76.5 Ų | 76.5 | 91% | 0.909 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -84.7 | -24.3 | 175.6 | -75.1 | -176 | 178.5 | 179.2 | 0 | 111.6 | ||
| 409 | N | 58.8 | Low | 83 | Confident | 149 Ų | 149 | 78.5 Ų | 78.5 | 80% | 0.797 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -94.4 | -33.9 | -176.3 | -68.2 | -22.5 | 0 | 0 | 0 | 112.7 | D407 | D407-N409 PolarHBondContact OD1-N 3.47Å; D407-N409 VanDerWaalsContact OD1-N 3.16Å |
| 410 | L | 61.7 | Low | 82.9 | Confident | 50 Ų | 50 | 75.7 Ų | 75.7 | 26% | 0.262 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -114.8 | 118.8 | 175.2 | -60 | 171.3 | 0 | 0 | 0 | 107.4 | A406 D407 K412 L440 | A406-L410 VanDerWaalsContact O-O 3.13Å; D407-L410 HydrophobicContact CB-CB 4.37Å; D407-L410 WeakPolarHBondContact CB-O 3.44Å; L410-K412 PolarHBondContact O-N 2.77Å; L410-L440 HydrophobicContact CD2-CD1 3.31Å; L410-L440 HydrophobicContact CD2-CG 4.49Å |
| 411 | K | 76.1 | Confident | 82.6 | Confident | 132 Ų | 132 | 76.4 Ų | 76.4 | 57% | 0.574 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 73.3 | 176.7 | -63.4 | 174.9 | -172.2 | 160.5 | 0 | 109.3 | E439 | K411-E439 HydrophobicContact CB-CB 4.21Å; K411-E439 WeakPolarHBondContact CD-OE2 3.08Å; K411-E439 PolarHBondContact N-O 3.32Å; K411-E439 IonicContact NZ-OE1 2.96Å; K411-E439 PolarHBondContact NZ-OE1 2.8Å; K411-E439 IonicContact NZ-OE2 3.43Å; K411-E439 PolarHBondContact NZ-OE2 2.8Å; K411-E439 PolarHBondContact O-N 2.87Å |
| 412 | K | 83.4 | Confident | 82.2 | Confident | 70 Ų | 70 | 77.5 Ų | 77.5 | 30% | 0.304 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 126 | -177.5 | -168.8 | 168.5 | -172.3 | 141.7 | 0 | 110.6 | G405 A406 L410 V437 E438 | G405-K412 WeakPolarHBondContact CA-O 3.38Å; A406-K412 PolarHBondContact N-O 2.79Å; A406-K412 PolarHBondContact O-N 2.81Å; L410-K412 PolarHBondContact O-N 2.77Å; K412-V437 CarbonylContact C-O 3.55Å; K412-V437 WeakPolarHBondContact CA-O 3.46Å; K412-E438 HydrophobicContact CB-CG 4.45Å; K412-E438 HydrophobicContact CG-CB 4.48Å; K412-E438 HydrophobicContact CG-CG 4.47Å; K412-E438 IonicContact NZ-OE2 3.83Å; K412-E438 PolarHBondContact NZ-OE2 2.81Å |
| 413 | R | 85.4 | Confident | 81.7 | Confident | 185 Ų | 185 | 81 Ų | 81 | 70% | 0.698 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 130.4 | 173.6 | -63.5 | -175.9 | -179.3 | -165.9 | -0.5 | 108.7 | W436 V437 | R413-W436 CarbonylContact O-C 3.53Å; R413-W436 WeakPolarHBondContact O-CA 3.3Å; R413-V437 PolarHBondContact N-O 2.78Å; R413-V437 PolarHBondContact O-N 2.79Å |
| 414 | Q | 90.6 | Very high | 81.2 | Confident | 56 Ų | 56 | 80.6 Ų | 80.6 | 26% | 0.262 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.1 | 177.9 | -172.6 | 179.5 | 18.9 | 0 | 0 | 108.9 | V403 S404 I416 E434 G435 W436 | V403-Q414 CarbonylContact C-O 3.59Å; V403-Q414 VanDerWaalsContact CA-O 3.29Å; V403-Q414 WeakPolarHBondContact CA-O 3.38Å; S404-Q414 PolarHBondContact N-O 3.03Å; S404-Q414 PolarHBondContact O-N 2.77Å; Q414-I416 HydrophobicContact CG-CD1 4.44Å; Q414-I416 HydrophobicContact CG-CG1 4.22Å; Q414-E434 PolarHBondContact NE2-OE1 2.8Å; Q414-G435 CarbonylContact C-O 3.47Å; Q414-G435 WeakPolarHBondContact CA-O 3.33Å; Q414-W436 HydrophobicContact CB-CB 4.35Å; Q414-W436 HydrophobicContact CG-CB 4.37Å |
| 415 | A | 91.6 | Very high | 80.6 | Confident | 44 Ų | 44 | 89.3 Ų | 89.3 | 36% | 0.364 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 130 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | A402 V403 E434 G435 | A402-A415 CarbonylContact O-C 3.52Å; A402-A415 VanDerWaalsContact O-CA 3.31Å; A402-A415 WeakPolarHBondContact O-CA 3.31Å; V403-A415 HydrophobicContact CG2-CB 4.09Å; A415-E434 CarbonylContact O-C 3.54Å; A415-E434 WeakPolarHBondContact O-CA 3.31Å; A415-G435 PolarHBondContact N-O 3.25Å; A415-G435 PolarHBondContact O-N 2.79Å |
| 416 | I | 93.7 | Very high | 80.4 | Confident | 43 Ų | 43 | 91 Ų | 91 | 22% | 0.221 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131.3 | 179.8 | -60.7 | 172.4 | 0 | 0 | 0 | 107.8 | A401 A402 Q414 K418 L433 E434 | A401-I416 CarbonylContact C-O 3.58Å; A401-I416 VanDerWaalsContact CA-O 3.31Å; A401-I416 WeakPolarHBondContact CA-O 3.36Å; A402-I416 PolarHBondContact N-O 3.4Å; A402-I416 PolarHBondContact O-N 3.14Å; Q414-I416 HydrophobicContact CG-CD1 4.44Å; Q414-I416 HydrophobicContact CG-CG1 4.22Å; I416-K418 HydrophobicContact CG2-CD 4.34Å; I416-K418 HydrophobicContact CG2-CG 3.93Å; I416-L433 CarbonylContact C-O 3.5Å; I416-E434 HydrophobicContact CG1-CB 4.48Å; I416-E434 HydrophobicContact CG1-CG 4.06Å |
| 417 | L | 93.9 | Very high | 80.7 | Confident | 64 Ų | 64 | 93.8 Ų | 93.8 | 34% | 0.335 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 120.1 | 175.7 | -177.6 | 73.2 | 0 | 0 | 0 | 108 | F399 T400 A401 E432 L433 | F399-L417 HydrophobicContact CD2-CD1 4.41Å; F399-L417 HydrophobicContact CE1-CD1 4.22Å; F399-L417 HydrophobicContact CE2-CD1 3.39Å; F399-L417 HydrophobicContact CE2-CG 4.29Å; F399-L417 HydrophobicContact CZ-CD1 3.28Å; T400-L417 CarbonylContact O-C 3.57Å; T400-L417 WeakPolarHBondContact O-CA 3.43Å; A401-L417 HydrophobicContact CB-CD1 3.82Å; L417-E432 CarbonylContact O-C 3.5Å; L417-E432 WeakPolarHBondContact O-CA 3.38Å; L417-L433 HydrophobicContact CB-CB 4.18Å; L417-L433 HydrophobicContact CD2-CB 4.45Å; L417-L433 HydrophobicContact CD2-CD2 4.33Å; L417-L433 PolarHBondContact N-O 3.18Å; L417-L433 PolarHBondContact O-N 2.78Å |
| 418 | K | 93.7 | Very high | 81.6 | Confident | 93 Ų | 93 | 92.3 Ų | 92.3 | 40% | 0.404 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.7 | 177.6 | -58.8 | -171.6 | -174.3 | -142.7 | 0 | 109.7 | F399 T400 I416 V431 E432 | F399-K418 CarbonylContact C-O 3.58Å; F399-K418 WeakPolarHBondContact CA-O 3.44Å; T400-K418 PolarHBondContact N-O 3.42Å; T400-K418 PolarHBondContact O-N 3.08Å; I416-K418 HydrophobicContact CG2-CD 4.34Å; I416-K418 HydrophobicContact CG2-CG 3.93Å; K418-V431 CarbonylContact C-O 3.57Å; K418-V431 WeakPolarHBondContact CA-O 3.17Å; K418-E432 WeakPolarHBondContact CE-OE1 3.48Å; K418-E432 HydrophobicContact CG-CB 4.44Å; K418-E432 HydrophobicContact CG-CG 4.17Å; K418-E432 IonicContact NZ-OE1 3.93Å; K418-E432 PolarHBondContact NZ-OE1 2.82Å |
| 419 | M | 92.9 | Very high | 82.8 | Confident | 88 Ų | 88 | 87.5 Ų | 87.5 | 43% | 0.433 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.6 | 173.3 | -177.6 | 175.3 | 174.5 | 0 | 0 | 109 | V397 S398 F399 E430 V431 | V397-M419 HydrophobicContact CG1-CE 4.46Å; S398-M419 CarbonylContact O-C 3.53Å; S398-M419 WeakPolarHBondContact O-CA 3.37Å; F399-M419 HydrophobicContact CD2-CB 4.3Å; M419-E430 CarbonylContact O-C 3.51Å; M419-E430 WeakPolarHBondContact O-CA 3.39Å; M419-V431 PolarHBondContact N-O 3.1Å; M419-V431 PolarHBondContact O-N 2.8Å |
| 420 | G | 90.3 | Very high | 84.3 | Confident | 4 Ų | 4 | 86.4 Ų | 86.4 | 4% | 0.041 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 137.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V397 S398 M429 | V397-G420 CarbonylContact C-O 3.13Å; V397-G420 WeakPolarHBondContact CA-O 3.48Å; S398-G420 PolarHBondContact N-O 2.84Å; S398-G420 PolarHBondContact O-N 3.46Å; G420-M429 CarbonylContact C-O 3.59Å; G420-M429 WeakPolarHBondContact CA-O 3.32Å |
| 421 | I | 87.4 | Confident | 85.7 | Confident | 58 Ų | 58 | 86 Ų | 86 | 30% | 0.297 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 119.1 | 170.8 | -55.8 | 176.5 | 0 | 0 | 0 | 107.9 | V397 M429 | V397-I421 HydrophobicContact CG1-CG1 4.37Å; V397-I421 HydrophobicContact CG2-CG1 4.27Å; V397-I421 HydrophobicContact CG2-CG2 4.4Å; I421-M429 PolarHBondContact N-O 2.77Å; I421-M429 PolarHBondContact O-N 2.81Å; I421-M429 VanDerWaalsContact O-N 3.13Å |
| 422 | T | 86.6 | Confident | 86.5 | Confident | 50 Ų | 50 | 81.1 Ų | 81.1 | 31% | 0.307 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 129.7 | 177.2 | 43.3 | 0 | 0 | 0 | 0 | 110.1 | N396 T428 | N396-T422 WeakPolarHBondContact CB-OG1 3.26Å; N396-T422 PolarHBondContact N-O 3.49Å; N396-T422 PolarHBondContact O-N 2.82Å; N396-T422 PolarHBondContact O-OG1 2.98Å; N396-T422 VanDerWaalsContact O-OG1 3.05Å; T422-T428 HydrophobicContact CG2-CG2 3.48Å; T422-T428 VanDerWaalsContact CG2-CG2 3.48Å |
| 423 | K | 82.2 | Confident | 87 | Confident | 104 Ų | 104 | 80.6 Ų | 80.6 | 45% | 0.452 | 41% | 0.413 | S | S | . | . | trans | -123.6 | 146.2 | 172.2 | -67.9 | -177.8 | -178.7 | 173.8 | 0 | 109.3 | Q395 K425 S426 | Q395-K423 HydrophobicContact CG-CG 4.24Å; K423-K425 PolarHBondContact O-N 2.98Å; K423-S426 PolarHBondContact O-N 2.87Å | ||
| 424 | P | 77.6 | Confident | 87.4 | Confident | 70 Ų | 70 | 73.6 Ų | 73.6 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 133.8 | 177.9 | -15.4 | 27.9 | 0 | 0 | 0 | 110.6 | R394 S426 | R394-P424 HydrophobicContact CB-CG 3.5Å; R394-P424 HydrophobicContact CG-CG 4.41Å; R394-P424 WeakPolarHBondContact O-CD 2.95Å; P424-S426 VanDerWaalsContact C-N 3.25Å; P424-S426 PolarHBondContact O-N 2.65Å |
| 425 | K | 75.1 | Confident | 87.5 | Confident | 221 Ų | 221 | 71.6 Ų | 71.6 | 96% | 0.961 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 22.5 | 178.4 | -50.4 | -177.5 | 177.6 | -174.5 | 0 | 115 | K423 | K423-K425 PolarHBondContact O-N 2.98Š|
| 426 | S | 76.3 | Confident | 87.5 | Confident | 65 Ų | 65 | 71.2 Ų | 71.2 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -129.4 | 152.3 | 174.2 | -57.8 | 0 | 0 | 0 | 0 | 110.4 | K423 P424 | K423-S426 PolarHBondContact O-N 2.87Å; P424-S426 VanDerWaalsContact C-N 3.25Å; P424-S426 PolarHBondContact O-N 2.65Å |
| 427 | P | 77.1 | Confident | 87.3 | Confident | 114 Ų | 114 | 72 Ų | 72 | 74% | 0.74 | 38% | 0.378 | S | S | * | . | trans | -62.1 | 142.4 | 174.4 | 25.9 | -33.1 | 0 | 0 | 0 | 110.6 | M429 | P427-M429 PolarHBondContact O-N 2.77Š| ||
| 428 | T | 79.6 | Confident | 87.1 | Confident | 69 Ų | 69 | 70.9 Ų | 70.9 | 42% | 0.423 | 37% | 0.371 | S | S | . | . | trans | -67.5 | 129.7 | 176.8 | -49.5 | 0 | 0 | 0 | 0 | 109.8 | T422 E430 | T422-T428 HydrophobicContact CG2-CG2 3.48Å; T422-T428 VanDerWaalsContact CG2-CG2 3.48Å; T428-E430 HydrophobicContact CG2-CG 3.52Å | ||
| 429 | M | 85.5 | Confident | 86.8 | Confident | 108 Ų | 108 | 69 Ų | 69 | 53% | 0.532 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 110.5 | 171.2 | -67 | 176.5 | 177.8 | 0 | 0 | 108 | G420 I421 P427 P458 | G420-M429 CarbonylContact C-O 3.59Å; G420-M429 WeakPolarHBondContact CA-O 3.32Å; I421-M429 PolarHBondContact N-O 2.77Å; I421-M429 PolarHBondContact O-N 2.81Å; I421-M429 VanDerWaalsContact O-N 3.13Å; P427-M429 PolarHBondContact O-N 2.77Å; M429-P458 HydrophobicContact CB-CG 4.25Å |
| 430 | E | 88.7 | Confident | 86.4 | Confident | 127 Ų | 127 | 67.2 Ų | 67.2 | 59% | 0.593 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.7 | 179.7 | -58.3 | -168.6 | 166.6 | 0 | 0 | 111 | M419 T428 P458 | M419-E430 CarbonylContact O-C 3.51Å; M419-E430 WeakPolarHBondContact O-CA 3.39Å; T428-E430 HydrophobicContact CG2-CG 3.52Å; E430-P458 WeakPolarHBondContact O-CD 3.33Å |
| 431 | V | 91.4 | Very high | 85.9 | Confident | 42 Ų | 42 | 75.6 Ų | 75.6 | 26% | 0.255 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 125.2 | 170.8 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | K418 M419 F455 R456 Q457 F459 | K418-V431 CarbonylContact C-O 3.57Å; K418-V431 WeakPolarHBondContact CA-O 3.17Å; M419-V431 PolarHBondContact N-O 3.1Å; M419-V431 PolarHBondContact O-N 2.8Å; V431-F455 HydrophobicContact CG1-CE2 3.67Å; V431-F455 HydrophobicContact CG1-CZ 4.3Å; V431-R456 WeakPolarHBondContact CA-O 3.35Å; V431-Q457 HydrophobicContact CG2-CB 4.41Å; V431-F459 HydrophobicContact CG2-CE2 4.29Å |
| 432 | E | 93.4 | Very high | 85.2 | Confident | 29 Ų | 29 | 81.9 Ų | 81.9 | 14% | 0.136 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128.4 | -179.5 | 173.7 | 176 | -134.7 | 0 | 0 | 109.3 | L417 K418 F455 R456 | L417-E432 CarbonylContact O-C 3.5Å; L417-E432 WeakPolarHBondContact O-CA 3.38Å; K418-E432 WeakPolarHBondContact CE-OE1 3.48Å; K418-E432 HydrophobicContact CG-CB 4.44Å; K418-E432 HydrophobicContact CG-CG 4.17Å; K418-E432 IonicContact NZ-OE1 3.93Å; K418-E432 PolarHBondContact NZ-OE1 2.82Å; E432-F455 CarbonylContact O-C 3.6Å; E432-F455 WeakPolarHBondContact O-CA 3.41Å; E432-R456 HydrophobicContact CB-CB 4.26Å; E432-R456 PolarHBondContact N-O 3.1Å; E432-R456 PolarHBondContact O-N 2.82Å; E432-R456 WeakPolarHBondContact OE2-CD 3.27Å; E432-R456 IonicContact OE2-CZ 2.65Å; E432-R456 IonicContact OE2-NH1 3.76Å; E432-R456 PolarHBondContact OE2-NH1 3.1Å |
| 433 | L | 93.4 | Very high | 84.6 | Confident | 58 Ų | 58 | 85 Ų | 85 | 30% | 0.304 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 112.3 | 171.3 | 179.4 | 72.9 | 0 | 0 | 0 | 107.8 | I416 L417 L453 Q454 F455 | I416-L433 CarbonylContact C-O 3.5Å; L417-L433 HydrophobicContact CB-CB 4.18Å; L417-L433 HydrophobicContact CD2-CB 4.45Å; L417-L433 HydrophobicContact CD2-CD2 4.33Å; L417-L433 PolarHBondContact N-O 3.18Å; L417-L433 PolarHBondContact O-N 2.78Å; L433-L453 HydrophobicContact CD1-CD1 3.69Å; L433-L453 HydrophobicContact CD1-CD2 4.24Å; L433-L453 HydrophobicContact CD1-CG 3.88Å; L433-L453 HydrophobicContact CG-CD1 4.18Å; L433-Q454 CarbonylContact C-O 3.59Å; L433-Q454 WeakPolarHBondContact CA-O 3.43Å; L433-F455 HydrophobicContact CB-CD2 4.34Å; L433-F455 HydrophobicContact CD1-CB 3.94Å; L433-F455 HydrophobicContact CD1-CD2 4Å; L433-F455 HydrophobicContact CD1-CG 4.41Å |
| 434 | E | 94.1 | Very high | 84.3 | Confident | 39 Ų | 39 | 90.8 Ų | 90.8 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 134.8 | 178.1 | 173.2 | 170.8 | -168.2 | 0 | 0 | 108.9 | Q414 A415 I416 L453 Q454 | Q414-E434 PolarHBondContact NE2-OE1 2.8Å; A415-E434 CarbonylContact O-C 3.54Å; A415-E434 WeakPolarHBondContact O-CA 3.31Å; I416-E434 HydrophobicContact CG1-CB 4.48Å; I416-E434 HydrophobicContact CG1-CG 4.06Å; E434-L453 CarbonylContact O-C 3.47Å; E434-L453 WeakPolarHBondContact O-CA 3.36Å; E434-Q454 HydrophobicContact CB-CB 4.46Å; E434-Q454 PolarHBondContact N-O 2.82Å; E434-Q454 PolarHBondContact O-N 2.7Å |
| 435 | G | 92.6 | Very high | 84.4 | Confident | 14 Ų | 14 | 94 Ų | 94 | 14% | 0.144 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 147.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q414 A415 Q452 | Q414-G435 CarbonylContact C-O 3.47Å; Q414-G435 WeakPolarHBondContact CA-O 3.33Å; A415-G435 PolarHBondContact N-O 3.25Å; A415-G435 PolarHBondContact O-N 2.79Å; G435-Q452 CarbonylContact C-O 3.5Å; G435-Q452 WeakPolarHBondContact CA-O 3.29Å |
| 436 | W | 92.1 | Very high | 84.9 | Confident | 35 Ų | 35 | 85.5 Ų | 85.5 | 13% | 0.133 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 152 | 172.7 | 60 | -98.4 | 0 | 0 | 0 | 111.7 | R413 Q414 E438 A450 A451 Q452 | R413-W436 CarbonylContact O-C 3.53Å; R413-W436 WeakPolarHBondContact O-CA 3.3Å; Q414-W436 HydrophobicContact CB-CB 4.35Å; Q414-W436 HydrophobicContact CG-CB 4.37Å; W436-E438 HydrophobicContact CE3-CB 3.88Å; W436-E438 HydrophobicContact CZ3-CB 3.66Å; W436-A450 HydrophobicContact CH2-CB 4.03Å; W436-A450 HydrophobicContact CZ3-CB 3.79Å; W436-A451 CarbonylContact O-C 3.46Å; W436-A451 VanDerWaalsContact O-CA 3.3Å; W436-A451 WeakPolarHBondContact O-CA 3.49Å; W436-Q452 HydrophobicContact CD2-CB 3.85Å; W436-Q452 HydrophobicContact CG-CB 4.21Å; W436-Q452 HydrophobicContact CH2-CB 4.29Å; W436-Q452 HydrophobicContact CZ2-CB 3.57Å; W436-Q452 HydrophobicContact CZ2-CG 4.27Å; W436-Q452 PolarHBondContact N-O 2.77Å; W436-Q452 PolarHBondContact O-N 2.72Å |
| 437 | V | 90.2 | Very high | 85.5 | Confident | 59 Ų | 59 | 85.6 Ų | 85.6 | 36% | 0.358 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 130.4 | 173 | -179.6 | 0 | 0 | 0 | 0 | 107.7 | K412 R413 A450 A451 | K412-V437 CarbonylContact C-O 3.55Å; K412-V437 WeakPolarHBondContact CA-O 3.46Å; R413-V437 PolarHBondContact N-O 2.78Å; R413-V437 PolarHBondContact O-N 2.79Å; V437-A450 CarbonylContact C-O 3.59Å; V437-A450 WeakPolarHBondContact CA-O 3.31Å; V437-A451 HydrophobicContact CG2-CB 4.08Å |
| 438 | E | 89.6 | Confident | 86 | Confident | 42 Ų | 42 | 83 Ų | 83 | 20% | 0.196 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 127 | -179.5 | -167.6 | 171.4 | 154.4 | 0 | 0 | 109 | K412 W436 K449 A450 | K412-E438 HydrophobicContact CB-CG 4.45Å; K412-E438 HydrophobicContact CG-CB 4.48Å; K412-E438 HydrophobicContact CG-CG 4.47Å; K412-E438 IonicContact NZ-OE2 3.83Å; K412-E438 PolarHBondContact NZ-OE2 2.81Å; W436-E438 HydrophobicContact CE3-CB 3.88Å; W436-E438 HydrophobicContact CZ3-CB 3.66Å; E438-K449 WeakPolarHBondContact O-CA 3.36Å; E438-A450 PolarHBondContact N-O 2.89Å; E438-A450 PolarHBondContact O-N 2.76Å |
| 439 | E | 86.7 | Confident | 86.6 | Confident | 53 Ų | 53 | 84.2 Ų | 84.2 | 25% | 0.248 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 116.2 | 173.1 | -174.1 | -170 | 144.2 | 0 | 0 | 108.3 | K411 Y447 | K411-E439 HydrophobicContact CB-CB 4.21Å; K411-E439 WeakPolarHBondContact CD-OE2 3.08Å; K411-E439 PolarHBondContact N-O 3.32Å; K411-E439 IonicContact NZ-OE1 2.96Å; K411-E439 PolarHBondContact NZ-OE1 2.8Å; K411-E439 IonicContact NZ-OE2 3.43Å; K411-E439 PolarHBondContact NZ-OE2 2.8Å; K411-E439 PolarHBondContact O-N 2.87Å; E439-Y447 HydrophobicContact CG-CE2 3.65Å |
| 440 | L | 83.9 | Confident | 86.9 | Confident | 51 Ų | 51 | 79.5 Ų | 79.5 | 27% | 0.267 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.5 | 177.2 | 178.8 | 72 | 0 | 0 | 0 | 108.9 | L410 Q448 | L410-L440 HydrophobicContact CD2-CD1 3.31Å; L410-L440 HydrophobicContact CD2-CG 4.49Å; L440-Q448 HydrophobicContact CB-CB 4.43Å; L440-Q448 PolarHBondContact N-O 2.82Å; L440-Q448 PolarHBondContact O-N 2.74Å; L440-Q448 VanDerWaalsContact O-O 3.13Å |
| 441 | R | 80 | Confident | 87.1 | Confident | 179 Ų | 179 | 75.2 Ų | 75.2 | 68% | 0.675 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 100.5 | 171.1 | -171.4 | 179.2 | -174.8 | 177.1 | 3.9 | 108.7 | ||
| 442 | R | 73 | Confident | 87.2 | Confident | 191 Ų | 191 | 75.1 Ų | 75.1 | 72% | 0.721 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -40.9 | -177.7 | -159.3 | 173.3 | -177.4 | 173.7 | -1.6 | 111.8 | M446 | R442-M446 HydrophobicContact CB-CE 3.52Å; R442-M446 HydrophobicContact CB-SD 4.2Å; R442-M446 VanDerWaalsContact CD-CE 3.43Å; R442-M446 HydrophobicContact CG-CE 4.12Å; R442-M446 PolarHBondContact N-O 2.76Å |
| 443 | D | 74.4 | Confident | 87.2 | Confident | 114 Ų | 114 | 77.3 Ų | 77.3 | 61% | 0.61 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 179.1 | -179 | -83.3 | -45 | 0 | 0 | 0 | 112.7 | K445 M446 | D443-K445 PolarHBondContact O-N 3.36Å; D443-K445 VanDerWaalsContact O-N 3.16Å; D443-M446 PolarHBondContact O-N 3.01Å |
| 444 | R | 76.2 | Confident | 87.2 | Confident | 226 Ų | 226 | 76.4 Ų | 76.4 | 85% | 0.853 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -20.4 | 170.8 | -76.5 | -171.9 | -179.4 | -179 | 1.1 | 113.5 | ||
| 445 | K | 80.4 | Confident | 87.1 | Confident | 137 Ų | 137 | 77.1 Ų | 77.1 | 60% | 0.596 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -12.3 | -173.7 | -64.1 | -174.9 | 179.5 | -178.6 | 0 | 114.8 | D443 L476 A477 | D443-K445 PolarHBondContact O-N 3.36Å; D443-K445 VanDerWaalsContact O-N 3.16Å; K445-L476 HydrophobicContact CB-CB 4.37Å; K445-L476 WeakPolarHBondContact O-CB 3.25Å; K445-L476 PolarHBondContact O-N 3.35Å; K445-A477 HydrophobicContact CD-CB 4.46Å |
| 446 | M | 84.2 | Confident | 87 | Confident | 44 Ų | 44 | 81.4 Ų | 81.4 | 22% | 0.217 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 123.5 | -177.7 | -170.5 | -87.8 | -90.4 | 0 | 0 | 111.6 | R442 D443 Q448 V474 | R442-M446 HydrophobicContact CB-CE 3.52Å; R442-M446 HydrophobicContact CB-SD 4.2Å; R442-M446 VanDerWaalsContact CD-CE 3.43Å; R442-M446 HydrophobicContact CG-CE 4.12Å; R442-M446 PolarHBondContact N-O 2.76Å; D443-M446 PolarHBondContact O-N 3.01Å; M446-Q448 HydrophobicContact SD-CB 4.45Å; M446-V474 WeakPolarHBondContact CA-O 3.43Å |
| 447 | Y | 88.4 | Confident | 86.8 | Confident | 67 Ų | 67 | 80.3 Ų | 80.3 | 26% | 0.263 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135.1 | 177.3 | 171.2 | -94.8 | 0 | 0 | 0 | 109.5 | E439 K449 F472 T473 V474 | E439-Y447 HydrophobicContact CG-CE2 3.65Å; Y447-K449 HydrophobicContact CE1-CB 3.93Å; Y447-F472 HydrophobicContact CD1-CD1 4.45Å; Y447-F472 HydrophobicContact CE1-CD1 4.19Å; Y447-T473 CarbonylContact O-C 3.53Å; Y447-T473 WeakPolarHBondContact O-CA 3.45Å; Y447-V474 HydrophobicContact CD1-CG2 4.08Å; Y447-V474 PolarHBondContact N-O 3.02Å; Y447-V474 PolarHBondContact O-N 2.84Å |
| 448 | Q | 89.3 | Confident | 86.5 | Confident | 58 Ų | 58 | 80.2 Ų | 80.2 | 27% | 0.271 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 132.7 | 176 | -171.3 | 177.3 | 21.9 | 0 | 0 | 110.1 | L440 M446 T471 F472 | L440-Q448 HydrophobicContact CB-CB 4.43Å; L440-Q448 PolarHBondContact N-O 2.82Å; L440-Q448 PolarHBondContact O-N 2.74Å; L440-Q448 VanDerWaalsContact O-O 3.13Å; M446-Q448 HydrophobicContact SD-CB 4.45Å; Q448-T471 HydrophobicContact CG-CG2 4.01Å; Q448-F472 CarbonylContact C-O 3.57Å; Q448-F472 WeakPolarHBondContact CA-O 3.44Å |
| 449 | K | 91.3 | Very high | 86.2 | Confident | 96 Ų | 96 | 84.2 Ų | 84.2 | 42% | 0.417 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 119.2 | 171.9 | -169.9 | -179.9 | -177 | -177.8 | 0 | 108.5 | E438 Y447 F472 | E438-K449 WeakPolarHBondContact O-CA 3.36Å; Y447-K449 HydrophobicContact CE1-CB 3.93Å; K449-F472 PolarHBondContact N-O 2.9Å; K449-F472 PolarHBondContact O-N 2.66Å |
| 450 | A | 91.7 | Very high | 85.8 | Confident | 9 Ų | 9 | 90.3 Ų | 90.3 | 7% | 0.074 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 138 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | W436 V437 E438 E470 T471 | W436-A450 HydrophobicContact CH2-CB 4.03Å; W436-A450 HydrophobicContact CZ3-CB 3.79Å; V437-A450 CarbonylContact C-O 3.59Å; V437-A450 WeakPolarHBondContact CA-O 3.31Å; E438-A450 PolarHBondContact N-O 2.89Å; E438-A450 PolarHBondContact O-N 2.76Å; A450-E470 CarbonylContact C-O 3.59Å; A450-E470 VanDerWaalsContact CA-O 3.3Å; A450-E470 WeakPolarHBondContact CA-O 3.34Å; A450-T471 HydrophobicContact CB-CG2 4.37Å |
| 451 | A | 92.6 | Very high | 85.3 | Confident | 36 Ų | 36 | 95.9 Ų | 95.9 | 30% | 0.298 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 139.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | W436 V437 R469 E470 | W436-A451 CarbonylContact O-C 3.46Å; W436-A451 VanDerWaalsContact O-CA 3.3Å; W436-A451 WeakPolarHBondContact O-CA 3.49Å; V437-A451 HydrophobicContact CG2-CB 4.08Å; A451-R469 CarbonylContact O-C 3.54Å; A451-R469 VanDerWaalsContact O-CA 3.29Å; A451-R469 WeakPolarHBondContact O-CA 3.27Å; A451-E470 PolarHBondContact N-O 2.8Å; A451-E470 PolarHBondContact O-N 2.81Å |
| 452 | Q | 93.1 | Very high | 85 | Confident | 40 Ų | 40 | 92.4 Ų | 92.4 | 19% | 0.187 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 140.7 | 174 | -173 | -179.8 | -63.4 | 0 | 0 | 109.2 | G435 W436 L467 L468 R469 | G435-Q452 CarbonylContact C-O 3.5Å; G435-Q452 WeakPolarHBondContact CA-O 3.29Å; W436-Q452 HydrophobicContact CD2-CB 3.85Å; W436-Q452 HydrophobicContact CG-CB 4.21Å; W436-Q452 HydrophobicContact CH2-CB 4.29Å; W436-Q452 HydrophobicContact CZ2-CB 3.57Å; W436-Q452 HydrophobicContact CZ2-CG 4.27Å; W436-Q452 PolarHBondContact N-O 2.77Å; W436-Q452 PolarHBondContact O-N 2.72Å; Q452-L467 HydrophobicContact CG-CD1 3.61Å; Q452-L468 CarbonylContact C-O 3.58Å; Q452-L468 VanDerWaalsContact CA-O 3.23Å; Q452-L468 WeakPolarHBondContact CA-O 3.33Å; Q452-R469 HydrophobicContact CG-CB 4.42Å |
| 453 | L | 93.8 | Very high | 85.3 | Confident | 75 Ų | 75 | 85.6 Ų | 85.6 | 39% | 0.393 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 123.1 | 172.7 | -169.7 | 72.9 | 0 | 0 | 0 | 108.5 | L433 E434 L467 L468 | L433-L453 HydrophobicContact CD1-CD1 3.69Å; L433-L453 HydrophobicContact CD1-CD2 4.24Å; L433-L453 HydrophobicContact CD1-CG 3.88Å; L433-L453 HydrophobicContact CG-CD1 4.18Å; E434-L453 CarbonylContact O-C 3.47Å; E434-L453 WeakPolarHBondContact O-CA 3.36Å; L453-L467 CarbonylContact O-C 3.54Å; L453-L467 WeakPolarHBondContact O-CA 3.23Å; L453-L468 HydrophobicContact CB-CB 4.33Å; L453-L468 HydrophobicContact CD2-CD1 4.49Å; L453-L468 PolarHBondContact N-O 2.75Å; L453-L468 PolarHBondContact O-N 2.75Å |
| 454 | Q | 92.9 | Very high | 85.8 | Confident | 40 Ų | 40 | 84.6 Ų | 84.6 | 19% | 0.187 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 122.3 | 176.7 | -179.3 | 169.9 | 23.2 | 0 | 0 | 108.9 | L433 E434 R456 L466 L467 | L433-Q454 CarbonylContact C-O 3.59Å; L433-Q454 WeakPolarHBondContact CA-O 3.43Å; E434-Q454 HydrophobicContact CB-CB 4.46Å; E434-Q454 PolarHBondContact N-O 2.82Å; E434-Q454 PolarHBondContact O-N 2.7Å; Q454-R456 HydrophobicContact CG-CG 4.4Å; Q454-R456 VanDerWaalsContact NE2-NH2 3.16Å; Q454-L466 CarbonylContact C-O 3.51Å; Q454-L466 WeakPolarHBondContact CA-O 3.5Å; Q454-L467 HydrophobicContact CB-CD1 4.03Å; Q454-L467 HydrophobicContact CG-CD1 4.44Å |
| 455 | F | 92.1 | Very high | 86.3 | Confident | 54 Ų | 54 | 76 Ų | 76 | 24% | 0.237 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.6 | 175.8 | 178.7 | -118.3 | 0 | 0 | 0 | 109.7 | V431 E432 L433 Q457 F462 T465 L466 | V431-F455 HydrophobicContact CG1-CE2 3.67Å; V431-F455 HydrophobicContact CG1-CZ 4.3Å; E432-F455 CarbonylContact O-C 3.6Å; E432-F455 WeakPolarHBondContact O-CA 3.41Å; L433-F455 HydrophobicContact CB-CD2 4.34Å; L433-F455 HydrophobicContact CD1-CB 3.94Å; L433-F455 HydrophobicContact CD1-CD2 4Å; L433-F455 HydrophobicContact CD1-CG 4.41Å; F455-Q457 HydrophobicContact CD1-CG 4.2Å; F455-Q457 HydrophobicContact CE1-CB 3.93Å; F455-Q457 HydrophobicContact CE1-CG 3.49Å; F455-Q457 VanDerWaalsContact CE1-CG 3.49Å; F455-Q457 HydrophobicContact CE2-CB 4.38Å; F455-Q457 HydrophobicContact CZ-CB 3.75Å; F455-Q457 HydrophobicContact CZ-CG 3.84Å; F455-F462 HydrophobicContact CD1-CD1 4.33Å; F455-F462 AromaticContact CD1-CE1 3.9Å; F455-F462 HydrophobicContact CD1-CE1 3.9Å; F455-F462 AromaticContact CE1-CD1 3.85Å; F455-F462 HydrophobicContact CE1-CD1 3.85Å; F455-F462 AromaticContact CE1-CE1 3.72Å; F455-F462 HydrophobicContact CE1-CE1 3.72Å; F455-T465 CarbonylContact O-C 3.5Å; F455-T465 WeakPolarHBondContact O-CA 3.49Å; F455-L466 HydrophobicContact CB-CB 4.39Å; F455-L466 PolarHBondContact N-O 2.85Å; F455-L466 PolarHBondContact O-N 2.77Å |
| 456 | R | 90.8 | Very high | 86.7 | Confident | 103 Ų | 103 | 70.9 Ų | 70.9 | 39% | 0.389 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 134.1 | 177 | -60.9 | -174.9 | 168.6 | 143.6 | -6.5 | 109.9 | V431 E432 Q454 Q464 T465 | V431-R456 WeakPolarHBondContact CA-O 3.35Å; E432-R456 HydrophobicContact CB-CB 4.26Å; E432-R456 PolarHBondContact N-O 3.1Å; E432-R456 PolarHBondContact O-N 2.82Å; E432-R456 WeakPolarHBondContact OE2-CD 3.27Å; E432-R456 IonicContact OE2-CZ 2.65Å; E432-R456 IonicContact OE2-NH1 3.76Å; E432-R456 PolarHBondContact OE2-NH1 3.1Å; Q454-R456 HydrophobicContact CG-CG 4.4Å; Q454-R456 VanDerWaalsContact NE2-NH2 3.16Å; R456-Q464 VanDerWaalsContact CA-O 3.3Å; R456-Q464 WeakPolarHBondContact CA-O 3.29Å; R456-T465 HydrophobicContact CG-CG2 4.21Å |
| 457 | Q | 88.1 | Confident | 87.1 | Confident | 12 Ų | 12 | 71.4 Ų | 71.4 | 6% | 0.056 | 35% | 0.351 | C | S | . | . | trans | -154.4 | 153.5 | -174.8 | 65.1 | 82.5 | 23.6 | 0 | 0 | 112.3 | V431 F455 F459 F462 P463 Q464 | V431-Q457 HydrophobicContact CG2-CB 4.41Å; F455-Q457 HydrophobicContact CD1-CG 4.2Å; F455-Q457 HydrophobicContact CE1-CB 3.93Å; F455-Q457 HydrophobicContact CE1-CG 3.49Å; F455-Q457 VanDerWaalsContact CE1-CG 3.49Å; F455-Q457 HydrophobicContact CE2-CB 4.38Å; F455-Q457 HydrophobicContact CZ-CB 3.75Å; F455-Q457 HydrophobicContact CZ-CG 3.84Å; Q457-F459 HydrophobicContact CB-CD2 4.45Å; Q457-F459 PolarHBondContact NE2-O 3.31Å; Q457-F459 PolarHBondContact OE1-O 2.64Å; Q457-F462 HydrophobicContact CG-CD1 4.32Å; Q457-F462 VanDerWaalsContact NE2-C 3.33Å; Q457-F462 PolarHBondContact NE2-O 2.87Å; Q457-P463 PolarHBondContact NE2-O 2.83Å; Q457-Q464 PolarHBondContact N-O 2.86Å | ||
| 458 | P | 84.6 | Confident | 87.3 | Confident | 57 Ų | 57 | 71.5 Ų | 71.5 | 37% | 0.37 | 36% | 0.356 | S | S | . | . | trans | -97.9 | 0.1 | -171.2 | 37.5 | -32.1 | 0 | 0 | 0 | 114.9 | M429 E430 | M429-P458 HydrophobicContact CB-CG 4.25Å; E430-P458 WeakPolarHBondContact O-CD 3.33Å | ||
| 459 | F | 82.8 | Confident | 87.5 | Confident | 126 Ų | 126 | 73.2 Ų | 73.2 | 55% | 0.553 | 36% | 0.36 | S | S | * | . | trans | -80.7 | 140.9 | -179 | -46.1 | -69.2 | 0 | 0 | 0 | 112.3 | V431 Q457 | V431-F459 HydrophobicContact CG2-CE2 4.29Å; Q457-F459 HydrophobicContact CB-CD2 4.45Å; Q457-F459 PolarHBondContact NE2-O 3.31Å; Q457-F459 PolarHBondContact OE1-O 2.64Å | ||
| 460 | Q | 77.5 | Confident | 87.7 | Confident | 182 Ų | 182 | 74 Ų | 74 | 85% | 0.85 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -20.5 | -175.8 | -65.1 | -177.4 | -9.8 | 0 | 0 | 114.2 | F462 | Q460-F462 VanDerWaalsContact C-N 3.29Å; Q460-F462 PolarHBondContact O-N 2.76Å |
| 461 | N | 75.2 | Confident | 87.7 | Confident | 167 Ų | 167 | 73.9 Ų | 73.9 | 89% | 0.893 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 4.5 | -173.9 | -63.5 | -10.8 | 0 | 0 | 0 | 113.9 | ||
| 462 | F | 72.4 | Confident | 87.8 | Confident | 107 Ų | 107 | 75.8 Ų | 75.8 | 47% | 0.469 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -142.3 | 154.6 | -179.8 | -162.6 | -97.4 | 0 | 0 | 0 | 108.7 | F455 Q457 Q460 Q464 | F455-F462 HydrophobicContact CD1-CD1 4.33Å; F455-F462 AromaticContact CD1-CE1 3.9Å; F455-F462 HydrophobicContact CD1-CE1 3.9Å; F455-F462 AromaticContact CE1-CD1 3.85Å; F455-F462 HydrophobicContact CE1-CD1 3.85Å; F455-F462 AromaticContact CE1-CE1 3.72Å; F455-F462 HydrophobicContact CE1-CE1 3.72Å; Q457-F462 HydrophobicContact CG-CD1 4.32Å; Q457-F462 VanDerWaalsContact NE2-C 3.33Å; Q457-F462 PolarHBondContact NE2-O 2.87Å; Q460-F462 VanDerWaalsContact C-N 3.29Å; Q460-F462 PolarHBondContact O-N 2.76Å; F462-Q464 PolarHBondContact O-N 3.05Å |
| 463 | P | 79.3 | Confident | 87.7 | Confident | 48 Ų | 48 | 75.3 Ų | 75.3 | 31% | 0.312 | 37% | 0.365 | S | S | . | . | trans | -52.7 | 128.4 | 174.6 | -27.8 | 34.4 | 0 | 0 | 0 | 111.4 | Q457 T465 F489 | Q457-P463 PolarHBondContact NE2-O 2.83Å; P463-T465 PolarHBondContact O-N 2.81Å; P463-F489 HydrophobicContact CB-CD1 4.38Å; P463-F489 HydrophobicContact CG-CD1 4.2Å | ||
| 464 | Q | 84.4 | Confident | 87.5 | Confident | 92 Ų | 92 | 72.6 Ų | 72.6 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -62.1 | -32 | -179.3 | -69 | -177.2 | -1.2 | 0 | 0 | 112 | R456 Q457 F462 H490 | R456-Q464 VanDerWaalsContact CA-O 3.3Å; R456-Q464 WeakPolarHBondContact CA-O 3.29Å; Q457-Q464 PolarHBondContact N-O 2.86Å; F462-Q464 PolarHBondContact O-N 3.05Å; Q464-H490 PolarHBondContact OE1-CE1 2.78Å |
| 465 | T | 87.2 | Confident | 87.3 | Confident | 45 Ų | 45 | 72.2 Ų | 72.2 | 28% | 0.276 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 129.6 | 177 | 56.2 | 0 | 0 | 0 | 0 | 109.6 | F455 R456 P463 F489 H490 | F455-T465 CarbonylContact O-C 3.5Å; F455-T465 WeakPolarHBondContact O-CA 3.49Å; R456-T465 HydrophobicContact CG-CG2 4.21Å; P463-T465 PolarHBondContact O-N 2.81Å; T465-F489 CarbonylContact O-C 3.56Å; T465-F489 WeakPolarHBondContact O-CA 3.26Å; T465-H490 PolarHBondContact O-N 2.88Å; T465-H490 PolarHBondContact OG1-N 2.81Å |
| 466 | L | 89.9 | Confident | 86.9 | Confident | 30 Ų | 30 | 74 Ų | 74 | 16% | 0.157 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.1 | 172 | 176.5 | 68.3 | 0 | 0 | 0 | 108.6 | Q454 F455 L468 G488 F489 | Q454-L466 CarbonylContact C-O 3.51Å; Q454-L466 WeakPolarHBondContact CA-O 3.5Å; F455-L466 HydrophobicContact CB-CB 4.39Å; F455-L466 PolarHBondContact N-O 2.85Å; F455-L466 PolarHBondContact O-N 2.77Å; L466-L468 HydrophobicContact CD1-CD2 4.06Å; L466-L468 HydrophobicContact CD1-CG 4.46Å; L466-L468 HydrophobicContact CD2-CD1 4.34Å; L466-L468 HydrophobicContact CD2-CG 4.34Å; L466-L468 HydrophobicContact CG-CD2 4.33Å; L466-L468 HydrophobicContact CG-CG 4.19Å; L466-G488 CarbonylContact C-O 3.53Å; L466-G488 WeakPolarHBondContact CA-O 3.01Å; L466-F489 HydrophobicContact CD1-CD1 3.8Å; L466-F489 HydrophobicContact CD1-CE1 3.54Å; L466-F489 HydrophobicContact CD1-CZ 4.16Å |
| 467 | L | 92.3 | Very high | 86.5 | Confident | 55 Ų | 55 | 72.6 Ų | 72.6 | 29% | 0.288 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 107.6 | 178.1 | 178.7 | 68.7 | 0 | 0 | 0 | 109 | Q452 L453 Q454 A487 G488 | Q452-L467 HydrophobicContact CG-CD1 3.61Å; L453-L467 CarbonylContact O-C 3.54Å; L453-L467 WeakPolarHBondContact O-CA 3.23Å; Q454-L467 HydrophobicContact CB-CD1 4.03Å; Q454-L467 HydrophobicContact CG-CD1 4.44Å; L467-A487 CarbonylContact O-C 3.57Å; L467-A487 VanDerWaalsContact O-CA 3.31Å; L467-A487 WeakPolarHBondContact O-CA 3.3Å; L467-G488 PolarHBondContact N-O 2.78Å; L467-G488 PolarHBondContact O-N 2.77Å |
| 468 | L | 92.8 | Very high | 86.2 | Confident | 70 Ų | 70 | 78.7 Ų | 78.7 | 37% | 0.366 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 131.4 | 172.6 | -57.7 | 176.1 | 0 | 0 | 0 | 108.8 | Q452 L453 L466 K486 A487 | Q452-L468 CarbonylContact C-O 3.58Å; Q452-L468 VanDerWaalsContact CA-O 3.23Å; Q452-L468 WeakPolarHBondContact CA-O 3.33Å; L453-L468 HydrophobicContact CB-CB 4.33Å; L453-L468 HydrophobicContact CD2-CD1 4.49Å; L453-L468 PolarHBondContact N-O 2.75Å; L453-L468 PolarHBondContact O-N 2.75Å; L466-L468 HydrophobicContact CD1-CD2 4.06Å; L466-L468 HydrophobicContact CD1-CG 4.46Å; L466-L468 HydrophobicContact CD2-CD1 4.34Å; L466-L468 HydrophobicContact CD2-CG 4.34Å; L466-L468 HydrophobicContact CG-CD2 4.33Å; L466-L468 HydrophobicContact CG-CG 4.19Å; L468-K486 CarbonylContact C-O 3.52Å; L468-K486 WeakPolarHBondContact CA-O 3.15Å; L468-A487 HydrophobicContact CD2-CB 3.62Å |
| 469 | R | 93.8 | Very high | 86.2 | Confident | 94 Ų | 94 | 76.8 Ų | 76.8 | 36% | 0.355 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 120.7 | 175.8 | 178.4 | 177.5 | 175.3 | 174.9 | -1 | 109.1 | A451 Q452 S485 K486 | A451-R469 CarbonylContact O-C 3.54Å; A451-R469 VanDerWaalsContact O-CA 3.29Å; A451-R469 WeakPolarHBondContact O-CA 3.27Å; Q452-R469 HydrophobicContact CG-CB 4.42Å; R469-S485 CarbonylContact O-C 3.56Å; R469-K486 HydrophobicContact CB-CB 4.31Å; R469-K486 PolarHBondContact N-O 3.29Å; R469-K486 PolarHBondContact O-N 2.85Å |
| 470 | E | 93.8 | Very high | 86.5 | Confident | 113 Ų | 113 | 73.1 Ų | 73.1 | 53% | 0.528 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127 | 173.5 | -69.7 | -175.6 | 175.2 | 0 | 0 | 109.3 | A450 A451 E484 | A450-E470 CarbonylContact C-O 3.59Å; A450-E470 VanDerWaalsContact CA-O 3.3Å; A450-E470 WeakPolarHBondContact CA-O 3.34Å; A451-E470 PolarHBondContact N-O 2.8Å; A451-E470 PolarHBondContact O-N 2.81Å; E470-E484 CarbonylContact C-O 3.53Å; E470-E484 VanDerWaalsContact CA-O 3.27Å; E470-E484 WeakPolarHBondContact CA-O 3.29Å |
| 471 | T | 93.5 | Very high | 87.1 | Confident | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 111.9 | 178.2 | -50.9 | 0 | 0 | 0 | 0 | 108.9 | Q448 A450 E484 | Q448-T471 HydrophobicContact CG-CG2 4.01Å; A450-T471 HydrophobicContact CB-CG2 4.37Å; T471-E484 PolarHBondContact N-O 3.13Å; T471-E484 PolarHBondContact O-N 2.77Å |
| 472 | F | 92.9 | Very high | 87.9 | Confident | 77 Ų | 77 | 62.5 Ų | 62.5 | 34% | 0.338 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 122.2 | 172.4 | -178.4 | -112.5 | 0 | 0 | 0 | 110.2 | Y447 Q448 K449 V474 Y481 I482 L483 | Y447-F472 HydrophobicContact CD1-CD1 4.45Å; Y447-F472 HydrophobicContact CE1-CD1 4.19Å; Q448-F472 CarbonylContact C-O 3.57Å; Q448-F472 WeakPolarHBondContact CA-O 3.44Å; K449-F472 PolarHBondContact N-O 2.9Å; K449-F472 PolarHBondContact O-N 2.66Å; F472-V474 HydrophobicContact CD1-CG2 4.18Å; F472-V474 HydrophobicContact CE1-CG2 3.4Å; F472-V474 HydrophobicContact CZ-CG2 3.68Å; F472-Y481 AromaticContact CZ-CD1 3.95Å; F472-Y481 HydrophobicContact CZ-CD1 3.95Å; F472-I482 CarbonylContact C-O 3.53Å; F472-I482 WeakPolarHBondContact CA-O 3.39Å; F472-L483 HydrophobicContact CB-CD1 4.26Å; F472-L483 HydrophobicContact CD2-CB 4.32Å; F472-L483 HydrophobicContact CD2-CD1 4.43Å |
| 473 | T | 91.4 | Very high | 88.9 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 18% | 0.184 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 131.5 | -178 | -51.5 | 0 | 0 | 0 | 0 | 109.9 | Y447 Y481 I482 | Y447-T473 CarbonylContact O-C 3.53Å; Y447-T473 WeakPolarHBondContact O-CA 3.45Å; T473-Y481 CarbonylContact O-C 3.43Å; T473-Y481 WeakPolarHBondContact O-CA 3.29Å; T473-I482 PolarHBondContact N-O 2.94Å; T473-I482 PolarHBondContact O-N 3.36Å |
| 474 | V | 90.1 | Very high | 89.6 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 115.9 | 172.6 | -175.5 | 0 | 0 | 0 | 0 | 107.8 | M446 Y447 F472 L476 Y481 | M446-V474 WeakPolarHBondContact CA-O 3.43Å; Y447-V474 HydrophobicContact CD1-CG2 4.08Å; Y447-V474 PolarHBondContact N-O 3.02Å; Y447-V474 PolarHBondContact O-N 2.84Å; F472-V474 HydrophobicContact CD1-CG2 4.18Å; F472-V474 HydrophobicContact CE1-CG2 3.4Å; F472-V474 HydrophobicContact CZ-CG2 3.68Å; V474-L476 HydrophobicContact CG1-CD2 3.84Å; V474-L476 HydrophobicContact CG1-CG 4.05Å; V474-Y481 HydrophobicContact CB-CD1 4.27Å; V474-Y481 HydrophobicContact CB-CE1 4.31Å; V474-Y481 HydrophobicContact CG1-CD1 3.87Å; V474-Y481 HydrophobicContact CG1-CE1 3.52Å; V474-Y481 HydrophobicContact CG2-CD1 3.68Å; V474-Y481 HydrophobicContact CG2-CE1 3.89Å |
| 475 | D | 88.3 | Confident | 90.1 | Very high | 33 Ų | 33 | 58.2 Ų | 58.2 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 94.1 | 173.9 | -175 | -16.9 | 0 | 0 | 0 | 108.8 | A477 K478 G479 L480 | D475-A477 PolarHBondContact O-N 3.18Å; D475-A477 WeakPolarHBondContact OD1-CA 3.32Å; D475-A477 WeakPolarHBondContact OD1-CB 3.39Å; D475-A477 PolarHBondContact OD1-N 2.82Å; D475-K478 HydrophobicContact CB-CB 4.42Å; D475-K478 PolarHBondContact O-N 2.75Å; D475-K478 PolarHBondContact OD1-N 2.81Å; D475-K478 VanDerWaalsContact OD2-CD 3.22Å; D475-K478 WeakPolarHBondContact OD2-CD 3.32Å; D475-K478 WeakPolarHBondContact OD2-CE 3.3Å; D475-K478 WeakPolarHBondContact OD2-CG 3.34Å; D475-G479 WeakPolarHBondContact O-CA 3.31Å; D475-G479 PolarHBondContact O-N 2.87Å; D475-L480 PolarHBondContact N-O 3.38Å; D475-L480 PolarHBondContact O-N 3.35Å |
| 476 | L | 83.9 | Confident | 90.3 | Very high | 91 Ų | 91 | 58.8 Ų | 58.8 | 48% | 0.476 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -17.9 | 178.8 | -61.8 | 178 | 0 | 0 | 0 | 112.7 | K445 V474 | K445-L476 HydrophobicContact CB-CB 4.37Å; K445-L476 WeakPolarHBondContact O-CB 3.25Å; K445-L476 PolarHBondContact O-N 3.35Å; V474-L476 HydrophobicContact CG1-CD2 3.84Å; V474-L476 HydrophobicContact CG1-CG 4.05Å |
| 477 | A | 83.1 | Confident | 90.4 | Very high | 73 Ų | 73 | 58.2 Ų | 58.2 | 60% | 0.603 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -36.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | K445 D475 | K445-A477 HydrophobicContact CD-CB 4.46Å; D475-A477 PolarHBondContact O-N 3.18Å; D475-A477 WeakPolarHBondContact OD1-CA 3.32Å; D475-A477 WeakPolarHBondContact OD1-CB 3.39Å; D475-A477 PolarHBondContact OD1-N 2.82Å |
| 478 | K | 82.3 | Confident | 90.2 | Very high | 140 Ų | 140 | 56.1 Ų | 56.1 | 61% | 0.609 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -13.5 | 174.2 | -61.9 | -176.7 | -171.2 | 174.4 | 0 | 113.6 | D475 L480 | D475-K478 HydrophobicContact CB-CB 4.42Å; D475-K478 PolarHBondContact O-N 2.75Å; D475-K478 PolarHBondContact OD1-N 2.81Å; D475-K478 VanDerWaalsContact OD2-CD 3.22Å; D475-K478 WeakPolarHBondContact OD2-CD 3.32Å; D475-K478 WeakPolarHBondContact OD2-CE 3.3Å; D475-K478 WeakPolarHBondContact OD2-CG 3.34Å; K478-L480 HydrophobicContact CB-CB 4.47Å; K478-L480 HydrophobicContact CB-CD1 3.77Å; K478-L480 HydrophobicContact CB-CG 3.89Å; K478-L480 HydrophobicContact CD-CD1 4.22Å |
| 479 | G | 84.3 | Confident | 89.9 | Confident | 17 Ų | 17 | 55.9 Ų | 55.9 | 18% | 0.175 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 34.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D475 G502 Y503 | D475-G479 WeakPolarHBondContact O-CA 3.31Å; D475-G479 PolarHBondContact O-N 2.87Å; G479-G502 WeakPolarHBondContact O-CA 3.49Å; G479-Y503 PolarHBondContact O-N 3.48Å |
| 480 | L | 88 | Confident | 89.2 | Confident | 49 Ų | 49 | 54.9 Ų | 54.9 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 141 | -172.8 | -62.7 | 175 | 0 | 0 | 0 | 111.8 | D475 K478 I482 T500 L501 | D475-L480 PolarHBondContact N-O 3.38Å; D475-L480 PolarHBondContact O-N 3.35Å; K478-L480 HydrophobicContact CB-CB 4.47Å; K478-L480 HydrophobicContact CB-CD1 3.77Å; K478-L480 HydrophobicContact CB-CG 3.89Å; K478-L480 HydrophobicContact CD-CD1 4.22Å; L480-I482 HydrophobicContact CB-CG1 4.45Å; L480-T500 HydrophobicContact CD2-CG2 4.11Å; L480-L501 CarbonylContact C-O 3.51Å; L480-L501 WeakPolarHBondContact CA-O 3.47Å |
| 481 | Y | 90.4 | Very high | 88.3 | Confident | 79 Ų | 79 | 55.2 Ų | 55.2 | 31% | 0.31 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 124.7 | 165.5 | -61.6 | -99.7 | 0 | 0 | 0 | 107.6 | F472 T473 V474 T500 L501 | F472-Y481 AromaticContact CZ-CD1 3.95Å; F472-Y481 HydrophobicContact CZ-CD1 3.95Å; T473-Y481 CarbonylContact O-C 3.43Å; T473-Y481 WeakPolarHBondContact O-CA 3.29Å; V474-Y481 HydrophobicContact CB-CD1 4.27Å; V474-Y481 HydrophobicContact CB-CE1 4.31Å; V474-Y481 HydrophobicContact CG1-CD1 3.87Å; V474-Y481 HydrophobicContact CG1-CE1 3.52Å; V474-Y481 HydrophobicContact CG2-CD1 3.68Å; V474-Y481 HydrophobicContact CG2-CE1 3.89Å; Y481-T500 CarbonylContact O-C 3.52Å; Y481-T500 WeakPolarHBondContact O-CA 3.32Å; Y481-L501 HydrophobicContact CD2-CD2 4.15Å; Y481-L501 HydrophobicContact CD2-CG 4.44Å; Y481-L501 HydrophobicContact CG-CD2 4.46Å; Y481-L501 PolarHBondContact N-O 2.99Å; Y481-L501 PolarHBondContact O-N 2.88Å |
| 482 | I | 92 | Very high | 87.3 | Confident | 48 Ų | 48 | 62.5 Ų | 62.5 | 25% | 0.246 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 123.9 | -175 | -56 | 171.6 | 0 | 0 | 0 | 107.9 | F472 T473 L480 T498 L499 T500 | F472-I482 CarbonylContact C-O 3.53Å; F472-I482 WeakPolarHBondContact CA-O 3.39Å; T473-I482 PolarHBondContact N-O 2.94Å; T473-I482 PolarHBondContact O-N 3.36Å; L480-I482 HydrophobicContact CB-CG1 4.45Å; I482-T498 HydrophobicContact CG2-CG2 3.84Å; I482-L499 CarbonylContact C-O 3.55Å; I482-L499 WeakPolarHBondContact CA-O 3.39Å; I482-T500 HydrophobicContact CG1-CG2 4.19Å |
| 483 | L | 93.6 | Very high | 86.8 | Confident | 57 Ų | 57 | 63.1 Ų | 63.1 | 30% | 0.298 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 109.1 | 168.6 | 177.5 | 66.4 | 0 | 0 | 0 | 108.4 | F472 T498 L499 | F472-L483 HydrophobicContact CB-CD1 4.26Å; F472-L483 HydrophobicContact CD2-CB 4.32Å; F472-L483 HydrophobicContact CD2-CD1 4.43Å; L483-T498 WeakPolarHBondContact O-CA 3.48Å; L483-L499 HydrophobicContact CB-CB 4.34Å; L483-L499 PolarHBondContact N-O 2.78Å; L483-L499 PolarHBondContact O-N 3.35Å |
| 484 | E | 94.7 | Very high | 86.7 | Confident | 68 Ų | 68 | 64.6 Ų | 64.6 | 32% | 0.318 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 120.1 | 175.6 | -177.7 | -172.4 | 86.9 | 0 | 0 | 109.4 | E470 T471 I496 H497 | E470-E484 CarbonylContact C-O 3.53Å; E470-E484 VanDerWaalsContact CA-O 3.27Å; E470-E484 WeakPolarHBondContact CA-O 3.29Å; T471-E484 PolarHBondContact N-O 3.13Å; T471-E484 PolarHBondContact O-N 2.77Å; E484-I496 HydrophobicContact CG-CG2 4.06Å; E484-H497 CarbonylContact C-O 3.5Å; E484-H497 WeakPolarHBondContact CA-O 3.32Å |
| 485 | S | 93.1 | Very high | 86.7 | Confident | 31 Ų | 31 | 65.5 Ų | 65.5 | 22% | 0.217 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 108.8 | 176.9 | -51.7 | 0 | 0 | 0 | 0 | 109.1 | R469 H497 | R469-S485 CarbonylContact O-C 3.56Å; S485-H497 PolarHBondContact N-O 2.87Å; S485-H497 PolarHBondContact O-N 2.8Å |
| 486 | K | 93.1 | Very high | 86.8 | Confident | 57 Ų | 57 | 65.3 Ų | 65.3 | 25% | 0.248 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 126.5 | -179 | 175.2 | 166.5 | -176.8 | 154.6 | 0 | 110.4 | L468 R469 E494 V495 I496 | L468-K486 CarbonylContact C-O 3.52Å; L468-K486 WeakPolarHBondContact CA-O 3.15Å; R469-K486 HydrophobicContact CB-CB 4.31Å; R469-K486 PolarHBondContact N-O 3.29Å; R469-K486 PolarHBondContact O-N 2.85Å; K486-E494 WeakPolarHBondContact CE-OE2 3.35Å; K486-E494 IonicContact NZ-OE1 2.64Å; K486-E494 IonicContact NZ-OE2 2.88Å; K486-E494 PolarHBondContact NZ-OE2 2.83Å; K486-V495 CarbonylContact C-O 3.56Å; K486-V495 WeakPolarHBondContact CA-O 3.37Å; K486-I496 HydrophobicContact CB-CG1 4.3Å; K486-I496 HydrophobicContact CD-CD1 4.23Å; K486-I496 HydrophobicContact CD-CG1 4.11Å; K486-I496 HydrophobicContact CG-CG1 4Å |
| 487 | A | 90.8 | Very high | 87.2 | Confident | 18 Ų | 18 | 63.8 Ų | 63.8 | 15% | 0.149 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 111.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L467 L468 F489 E494 V495 | L467-A487 CarbonylContact O-C 3.57Å; L467-A487 VanDerWaalsContact O-CA 3.31Å; L467-A487 WeakPolarHBondContact O-CA 3.3Å; L468-A487 HydrophobicContact CD2-CB 3.62Å; A487-F489 HydrophobicContact CB-CE2 3.99Å; A487-F489 HydrophobicContact CB-CZ 4.14Å; A487-E494 CarbonylContact O-C 3.5Å; A487-E494 VanDerWaalsContact O-CA 3.3Å; A487-E494 WeakPolarHBondContact O-CA 3.47Å; A487-V495 HydrophobicContact CB-CB 4.47Å; A487-V495 PolarHBondContact N-O 2.92Å; A487-V495 PolarHBondContact O-N 3.48Å |
| 488 | G | 89.6 | Confident | 87.7 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 12% | 0.124 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 141.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L466 L467 K493 | L466-G488 CarbonylContact C-O 3.53Å; L466-G488 WeakPolarHBondContact CA-O 3.01Å; L467-G488 PolarHBondContact N-O 2.78Å; L467-G488 PolarHBondContact O-N 2.77Å; G488-K493 CarbonylContact C-O 3.51Å; G488-K493 WeakPolarHBondContact CA-O 3.34Å |
| 489 | F | 86 | Confident | 88.2 | Confident | 64 Ų | 64 | 58.2 Ų | 58.2 | 28% | 0.281 | 30% | 0.299 | S | S | . | . | trans | -122.1 | 179.8 | -178.5 | -57.8 | -91.1 | 0 | 0 | 0 | 110.6 | P463 T465 L466 A487 K493 V495 F518 | P463-F489 HydrophobicContact CB-CD1 4.38Å; P463-F489 HydrophobicContact CG-CD1 4.2Å; T465-F489 CarbonylContact O-C 3.56Å; T465-F489 WeakPolarHBondContact O-CA 3.26Å; L466-F489 HydrophobicContact CD1-CD1 3.8Å; L466-F489 HydrophobicContact CD1-CE1 3.54Å; L466-F489 HydrophobicContact CD1-CZ 4.16Å; A487-F489 HydrophobicContact CB-CE2 3.99Å; A487-F489 HydrophobicContact CB-CZ 4.14Å; F489-K493 HydrophobicContact CB-CB 4.24Å; F489-K493 PolarHBondContact N-O 2.88Å; F489-V495 HydrophobicContact CE2-CG2 4.12Å; F489-F518 HydrophobicContact CD2-CE2 4.44Å; F489-F518 AromaticContact CD2-CZ 3.73Å; F489-F518 HydrophobicContact CD2-CZ 3.73Å; F489-F518 HydrophobicContact CE2-CE2 4.38Å; F489-F518 AromaticContact CE2-CZ 3.81Å; F489-F518 HydrophobicContact CE2-CZ 3.81Å | ||
| 490 | H | 78.4 | Confident | 88.5 | Confident | 73 Ų | 73 | 59 Ų | 59 | 34% | 0.338 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -58.5 | 153.6 | 168.5 | -159.3 | 69.9 | 0 | 0 | 0 | 111 | Q464 T465 | Q464-H490 PolarHBondContact OE1-CE1 2.78Å; T465-H490 PolarHBondContact O-N 2.88Å; T465-H490 PolarHBondContact OG1-N 2.81Å |
| 491 | D | 74.1 | Confident | 88.6 | Confident | 120 Ų | 120 | 60 Ų | 60 | 64% | 0.642 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | 65 | 31.6 | -179.2 | -50.6 | -40.6 | 0 | 0 | 0 | 116.5 | K493 | D491-K493 PolarHBondContact O-N 3.09Å; D491-K493 VanDerWaalsContact O-N 3.1Å |
| 492 | N | 72.8 | Confident | 88.4 | Confident | 158 Ų | 158 | 56.6 Ų | 56.6 | 85% | 0.845 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | 58.7 | 19.8 | -179.7 | -68.2 | -14 | 0 | 0 | 0 | 114.8 | ||
| 493 | K | 83.9 | Confident | 87.7 | Confident | 90 Ų | 90 | 61.8 Ų | 61.8 | 39% | 0.391 | 31% | 0.313 | S | S | . | . | trans | -74.3 | 132.3 | 171.8 | -68.9 | 178.2 | -177.7 | 172.5 | 0 | 110 | G488 F489 D491 T517 F518 | G488-K493 CarbonylContact C-O 3.51Å; G488-K493 WeakPolarHBondContact CA-O 3.34Å; F489-K493 HydrophobicContact CB-CB 4.24Å; F489-K493 PolarHBondContact N-O 2.88Å; D491-K493 PolarHBondContact O-N 3.09Å; D491-K493 VanDerWaalsContact O-N 3.1Å; K493-T517 VanDerWaalsContact CA-OG1 3.29Å; K493-T517 WeakPolarHBondContact CA-OG1 3.48Å; K493-F518 HydrophobicContact CB-CE1 4.3Å; K493-F518 HydrophobicContact CB-CE2 4.43Å; K493-F518 HydrophobicContact CB-CZ 4.06Å; K493-F518 HydrophobicContact CD-CD1 4.18Å; K493-F518 HydrophobicContact CD-CE1 3.99Å | ||
| 494 | E | 88.6 | Confident | 86.6 | Confident | 62 Ų | 62 | 66.3 Ų | 66.3 | 29% | 0.29 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 149.7 | 178.4 | 63.7 | 178.1 | -163.1 | 0 | 0 | 112.1 | K486 A487 H516 T517 | K486-E494 WeakPolarHBondContact CE-OE2 3.35Å; K486-E494 IonicContact NZ-OE1 2.64Å; K486-E494 IonicContact NZ-OE2 2.88Å; K486-E494 PolarHBondContact NZ-OE2 2.83Å; A487-E494 CarbonylContact O-C 3.5Å; A487-E494 VanDerWaalsContact O-CA 3.3Å; A487-E494 WeakPolarHBondContact O-CA 3.47Å; E494-H516 VanDerWaalsContact O-CA 3.25Å; E494-H516 WeakPolarHBondContact O-CA 3.41Å; E494-T517 HydrophobicContact CG-CG2 3.97Å; E494-T517 PolarHBondContact N-OG1 2.93Å; E494-T517 PolarHBondContact O-N 2.9Å |
| 495 | V | 89.3 | Confident | 85.2 | Confident | 35 Ų | 35 | 68 Ų | 68 | 21% | 0.212 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131 | 167.8 | -175.9 | 0 | 0 | 0 | 0 | 107.2 | K486 A487 F489 L514 I515 H516 F518 | K486-V495 CarbonylContact C-O 3.56Å; K486-V495 WeakPolarHBondContact CA-O 3.37Å; A487-V495 HydrophobicContact CB-CB 4.47Å; A487-V495 PolarHBondContact N-O 2.92Å; A487-V495 PolarHBondContact O-N 3.48Å; F489-V495 HydrophobicContact CE2-CG2 4.12Å; V495-L514 HydrophobicContact CG1-CD1 3.51Å; V495-I515 CarbonylContact C-O 3.58Å; V495-I515 WeakPolarHBondContact CA-O 3.44Å; V495-H516 HydrophobicContact CB-CB 4.47Å; V495-H516 HydrophobicContact CG1-CB 4.45Å; V495-H516 HydrophobicContact CG2-CB 4.12Å; V495-F518 HydrophobicContact CG2-CD2 4.06Å; V495-F518 HydrophobicContact CG2-CE2 3.3Å; V495-F518 HydrophobicContact CG2-CZ 4.08Å |
| 496 | I | 91.3 | Very high | 83.9 | Confident | 29 Ų | 29 | 71.3 Ų | 71.3 | 15% | 0.149 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 120 | 174 | -56.3 | 174.6 | 0 | 0 | 0 | 107.3 | E484 K486 L514 I515 | E484-I496 HydrophobicContact CG-CG2 4.06Å; K486-I496 HydrophobicContact CB-CG1 4.3Å; K486-I496 HydrophobicContact CD-CD1 4.23Å; K486-I496 HydrophobicContact CD-CG1 4.11Å; K486-I496 HydrophobicContact CG-CG1 4Å; I496-L514 WeakPolarHBondContact O-CA 3.46Å; I496-I515 PolarHBondContact N-O 2.05Å; I496-I515 PolarHBondContact O-N 2.82Å |
| 497 | H | 92.7 | Very high | 82.9 | Confident | 60 Ų | 60 | 71.2 Ų | 71.2 | 28% | 0.278 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.3 | 171.3 | 178 | -114.4 | 0 | 0 | 0 | 109.1 | E484 S485 S512 A513 L514 | E484-H497 CarbonylContact C-O 3.5Å; E484-H497 WeakPolarHBondContact CA-O 3.32Å; S485-H497 PolarHBondContact N-O 2.87Å; S485-H497 PolarHBondContact O-N 2.8Å; H497-S512 PolarHBondContact NE2-OG 2.85Å; H497-A513 CarbonylContact C-O 3.55Å; H497-A513 VanDerWaalsContact CA-O 3.29Å; H497-A513 WeakPolarHBondContact CA-O 3.32Å; H497-A513 PolarHBondContact CD2-O 2.96Å; H497-L514 HydrophobicContact CB-CD1 4Å |
| 498 | T | 92.5 | Very high | 82.5 | Confident | 29 Ų | 29 | 72.7 Ų | 72.7 | 18% | 0.178 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 116 | -179.9 | -52.3 | 0 | 0 | 0 | 0 | 109.5 | I482 L483 S512 A513 | I482-T498 HydrophobicContact CG2-CG2 3.84Å; L483-T498 WeakPolarHBondContact O-CA 3.48Å; T498-S512 WeakPolarHBondContact O-CA 3.33Å; T498-A513 PolarHBondContact N-O 2.79Å; T498-A513 PolarHBondContact O-N 3.43Å |
| 499 | L | 92.6 | Very high | 82.3 | Confident | 66 Ų | 66 | 73.6 Ų | 73.6 | 35% | 0.346 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 114.5 | 172.1 | -177.1 | 71.5 | 0 | 0 | 0 | 109.2 | I482 L483 V510 C511 | I482-L499 CarbonylContact C-O 3.55Å; I482-L499 WeakPolarHBondContact CA-O 3.39Å; L483-L499 HydrophobicContact CB-CB 4.34Å; L483-L499 PolarHBondContact N-O 2.78Å; L483-L499 PolarHBondContact O-N 3.35Å; L499-V510 HydrophobicContact CD1-CG1 3.88Å; L499-C511 CarbonylContact C-O 3.48Å; L499-C511 WeakPolarHBondContact CA-O 3.48Å |
| 500 | T | 91 | Very high | 82.5 | Confident | 33 Ų | 33 | 73.9 Ų | 73.9 | 20% | 0.202 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 122.5 | 179 | -59 | 0 | 0 | 0 | 0 | 110.2 | L480 Y481 I482 V510 C511 | L480-T500 HydrophobicContact CD2-CG2 4.11Å; Y481-T500 CarbonylContact O-C 3.52Å; Y481-T500 WeakPolarHBondContact O-CA 3.32Å; I482-T500 HydrophobicContact CG1-CG2 4.19Å; T500-V510 CarbonylContact O-C 3.59Å; T500-V510 WeakPolarHBondContact O-CA 3.33Å; T500-C511 PolarHBondContact N-O 3.44Å; T500-C511 PolarHBondContact O-N 3.5Å |
| 501 | L | 90.2 | Very high | 83 | Confident | 72 Ų | 72 | 71.4 Ų | 71.4 | 38% | 0.377 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 112.8 | 171.4 | 169.4 | 74.3 | 0 | 0 | 0 | 109.1 | L480 Y481 S509 V510 | L480-L501 CarbonylContact C-O 3.51Å; L480-L501 WeakPolarHBondContact CA-O 3.47Å; Y481-L501 HydrophobicContact CD2-CD2 4.15Å; Y481-L501 HydrophobicContact CD2-CG 4.44Å; Y481-L501 HydrophobicContact CG-CD2 4.46Å; Y481-L501 PolarHBondContact N-O 2.99Å; Y481-L501 PolarHBondContact O-N 2.88Å; L501-S509 CarbonylContact C-O 3.49Å; L501-S509 WeakPolarHBondContact CA-O 3.35Å; L501-V510 HydrophobicContact CD1-CG2 3.66Å |
| 502 | G | 87.3 | Confident | 83.8 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 6% | 0.062 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 127.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111 | G479 P508 S509 | G479-G502 WeakPolarHBondContact O-CA 3.49Å; G502-P508 CarbonylContact O-C 3.47Å; G502-P508 WeakPolarHBondContact O-CA 3.45Å; G502-P508 WeakPolarHBondContact O-CB 3.44Å; G502-S509 PolarHBondContact N-O 2.81Å; G502-S509 PolarHBondContact O-N 2.83Å |
| 503 | Y | 76.6 | Confident | 84.6 | Confident | 158 Ų | 158 | 61 Ų | 61 | 62% | 0.62 | 33% | 0.334 | S | S | * | . | trans | -111.6 | 14.6 | 179.6 | -176.8 | -104.3 | 0 | 0 | 0 | 113 | G479 P505 | G479-Y503 PolarHBondContact O-N 3.48Å; Y503-P505 WeakPolarHBondContact O-CD 3.4Å; Y503-P505 VanDerWaalsContact O-N 3.13Å | ||
| 504 | K | 71 | Confident | 84.9 | Confident | 151 Ų | 151 | 59.6 Ų | 59.6 | 66% | 0.657 | 33% | 0.33 | S | S | * | . | trans | -68.2 | 112.8 | -178.3 | -156.8 | 173.6 | -176.8 | -178.9 | 0 | 110.1 | S507 | K504-S507 PolarHBondContact O-N 2.82Š| ||
| 505 | P | 65.6 | Low | 84.9 | Confident | 103 Ų | 103 | 60.5 Ų | 60.5 | 67% | 0.669 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 146.6 | 178.6 | -18.6 | 33.1 | 0 | 0 | 0 | 110.5 | Y503 | Y503-P505 WeakPolarHBondContact O-CD 3.4Å; Y503-P505 VanDerWaalsContact O-N 3.13Å |
| 506 | P | 64.1 | Low | 84.7 | Confident | 102 Ų | 102 | 59.7 Ų | 59.7 | 66% | 0.662 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -94.3 | 8.3 | 7.2 | 36.7 | -35.4 | 0 | 0 | 0 | 115.8 | ||
| 507 | S | 73 | Confident | 84.5 | Confident | 54 Ų | 54 | 62 Ų | 62 | 38% | 0.378 | 35% | 0.345 | S | S | . | . | trans | -127.6 | 80.7 | -169.8 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | K504 A533 | K504-S507 PolarHBondContact O-N 2.82Å; S507-A533 WeakPolarHBondContact CA-O 3.02Å | ||
| 508 | P | 82.3 | Confident | 83.9 | Confident | 50 Ų | 50 | 61.1 Ų | 61.1 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | trans | -62.3 | 143.9 | 171.8 | 26 | -34.7 | 0 | 0 | 0 | 111.6 | G502 T532 A533 | G502-P508 CarbonylContact O-C 3.47Å; G502-P508 WeakPolarHBondContact O-CA 3.45Å; G502-P508 WeakPolarHBondContact O-CB 3.44Å; P508-T532 WeakPolarHBondContact O-CA 3.47Å; P508-A533 VanDerWaalsContact CD-O 3.25Å; P508-A533 WeakPolarHBondContact CD-O 3.06Å; P508-A533 HydrophobicContact CG-CB 4.25Å; P508-A533 PolarHBondContact O-N 2.8Å | ||
| 509 | S | 85.9 | Confident | 83.2 | Confident | 31 Ų | 31 | 62.7 Ų | 62.7 | 22% | 0.217 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 146.3 | 179.6 | 62.5 | 0 | 0 | 0 | 0 | 111.9 | L501 G502 V531 | L501-S509 CarbonylContact C-O 3.49Å; L501-S509 WeakPolarHBondContact CA-O 3.35Å; G502-S509 PolarHBondContact N-O 2.81Å; G502-S509 PolarHBondContact O-N 2.83Å; S509-V531 CarbonylContact C-O 3.59Å; S509-V531 WeakPolarHBondContact CA-O 3.49Å |
| 510 | V | 88.9 | Confident | 82.1 | Confident | 69 Ų | 69 | 66.5 Ų | 66.5 | 42% | 0.418 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 117.7 | 171.5 | -178.7 | 0 | 0 | 0 | 0 | 107.8 | L499 T500 L501 C530 V531 | L499-V510 HydrophobicContact CD1-CG1 3.88Å; T500-V510 CarbonylContact O-C 3.59Å; T500-V510 WeakPolarHBondContact O-CA 3.33Å; L501-V510 HydrophobicContact CD1-CG2 3.66Å; V510-C530 CarbonylContact O-C 3.55Å; V510-C530 WeakPolarHBondContact O-CA 3.34Å; V510-V531 PolarHBondContact N-O 3.39Å; V510-V531 PolarHBondContact O-N 2.78Å |
| 511 | C | 89.1 | Confident | 81.2 | Confident | 21 Ų | 21 | 72.2 Ų | 72.2 | 14% | 0.142 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.2 | 176.2 | -67.1 | 0 | 0 | 0 | 0 | 110 | L499 T500 V529 C530 | L499-C511 CarbonylContact C-O 3.48Å; L499-C511 WeakPolarHBondContact CA-O 3.48Å; T500-C511 PolarHBondContact N-O 3.44Å; T500-C511 PolarHBondContact O-N 3.5Å; C511-V529 CarbonylContact C-O 3.53Å; C511-V529 WeakPolarHBondContact CA-O 3.22Å; C511-C530 HydrophobicContact CB-CB 4.16Å; C511-C530 WeakPolarHBondContact CB-SG 3.48Å; C511-C530 WeakPolarHBondContact SG-CB 3.35Å; C511-C530 CovalentContact SG-SG 2.05Å; C511-C530 PolarHBondContact SG-SG 3.49Å |
| 512 | S | 90.6 | Very high | 80.2 | Confident | 44 Ų | 44 | 73.9 Ų | 73.9 | 31% | 0.308 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 114.4 | 173.9 | 172.7 | 0 | 0 | 0 | 0 | 108.3 | H497 T498 E528 V529 | H497-S512 PolarHBondContact NE2-OG 2.85Å; T498-S512 WeakPolarHBondContact O-CA 3.33Å; S512-E528 WeakPolarHBondContact O-CA 3.48Å; S512-V529 PolarHBondContact N-O 3.08Å; S512-V529 PolarHBondContact O-N 2.83Å |
| 513 | A | 90.7 | Very high | 79.4 | Confident | 16 Ų | 16 | 78.4 Ų | 78.4 | 13% | 0.132 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 139 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | H497 T498 S527 E528 | H497-A513 CarbonylContact C-O 3.55Å; H497-A513 VanDerWaalsContact CA-O 3.29Å; H497-A513 WeakPolarHBondContact CA-O 3.32Å; H497-A513 PolarHBondContact CD2-O 2.96Å; T498-A513 PolarHBondContact N-O 2.79Å; T498-A513 PolarHBondContact O-N 3.43Å; A513-S527 CarbonylContact C-O 3.55Å; A513-S527 VanDerWaalsContact CA-O 3.31Å; A513-S527 WeakPolarHBondContact CA-O 3.1Å; A513-E528 HydrophobicContact CB-CB 4.23Å; A513-E528 HydrophobicContact CB-CG 4.09Å |
| 514 | L | 89 | Confident | 79.3 | Confident | 61 Ų | 61 | 75.8 Ų | 75.8 | 32% | 0.319 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 120.4 | 173.7 | -176.3 | 70.8 | 0 | 0 | 0 | 108.8 | V495 I496 H497 D526 S527 | V495-L514 HydrophobicContact CG1-CD1 3.51Å; I496-L514 WeakPolarHBondContact O-CA 3.46Å; H497-L514 HydrophobicContact CB-CD1 4Å; L514-D526 WeakPolarHBondContact O-CA 3.41Å; L514-S527 PolarHBondContact N-O 2.83Å; L514-S527 PolarHBondContact O-N 2.78Å |
| 515 | I | 88.8 | Confident | 79.6 | Confident | 81 Ų | 81 | 70.6 Ų | 70.6 | 42% | 0.415 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 134.9 | -179.7 | -62.4 | 170.3 | 0 | 0 | 0 | 108.5 | V495 I496 D526 | V495-I515 CarbonylContact C-O 3.58Å; V495-I515 WeakPolarHBondContact CA-O 3.44Å; I496-I515 PolarHBondContact N-O 2.05Å; I496-I515 PolarHBondContact O-N 2.82Å; I515-D526 WeakPolarHBondContact CA-OD1 3.25Å; I515-D526 HydrophobicContact CG1-CB 4.47Å |
| 516 | H | 86.5 | Confident | 80.4 | Confident | 18 Ų | 18 | 68.3 Ų | 68.3 | 8% | 0.083 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 157.6 | 179.5 | 74 | 48.7 | 0 | 0 | 0 | 115.4 | E494 V495 F518 F523 P524 D526 | E494-H516 VanDerWaalsContact O-CA 3.25Å; E494-H516 WeakPolarHBondContact O-CA 3.41Å; V495-H516 HydrophobicContact CB-CB 4.47Å; V495-H516 HydrophobicContact CG1-CB 4.45Å; V495-H516 HydrophobicContact CG2-CB 4.12Å; H516-F518 HydrophobicContact CB-CD2 3.89Å; H516-F518 HydrophobicContact CB-CE2 4.45Å; H516-F518 PolarHBondContact ND1-N 2.66Å; H516-F523 VanDerWaalsContact NE2-CB 3.32Å; H516-F523 WeakPolarHBondContact NE2-CB 3.48Å; H516-P524 PolarHBondContact CE1-O 2.8Å; H516-P524 PolarHBondContact NE2-O 2.92Å; H516-D526 PolarHBondContact N-OD1 2.82Å |
| 517 | T | 85.3 | Confident | 81.4 | Confident | 76 Ų | 76 | 65.7 Ų | 65.7 | 47% | 0.466 | 38% | 0.379 | S | S | . | . | trans | -103.2 | 18.4 | 179.8 | 59 | 0 | 0 | 0 | 0 | 114.6 | K493 E494 | K493-T517 VanDerWaalsContact CA-OG1 3.29Å; K493-T517 WeakPolarHBondContact CA-OG1 3.48Å; E494-T517 HydrophobicContact CG-CG2 3.97Å; E494-T517 PolarHBondContact N-OG1 2.93Å; E494-T517 PolarHBondContact O-N 2.9Å | ||
| 518 | F | 81.1 | Confident | 82 | Confident | 43 Ų | 43 | 67.1 Ų | 67.1 | 19% | 0.189 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -78.1 | 158.5 | 176.9 | -64.1 | -97.4 | 0 | 0 | 0 | 112 | F489 K493 V495 H516 F520 F523 | F489-F518 HydrophobicContact CD2-CE2 4.44Å; F489-F518 AromaticContact CD2-CZ 3.73Å; F489-F518 HydrophobicContact CD2-CZ 3.73Å; F489-F518 HydrophobicContact CE2-CE2 4.38Å; F489-F518 AromaticContact CE2-CZ 3.81Å; F489-F518 HydrophobicContact CE2-CZ 3.81Å; K493-F518 HydrophobicContact CB-CE1 4.3Å; K493-F518 HydrophobicContact CB-CE2 4.43Å; K493-F518 HydrophobicContact CB-CZ 4.06Å; K493-F518 HydrophobicContact CD-CD1 4.18Å; K493-F518 HydrophobicContact CD-CE1 3.99Å; V495-F518 HydrophobicContact CG2-CD2 4.06Å; V495-F518 HydrophobicContact CG2-CE2 3.3Å; V495-F518 HydrophobicContact CG2-CZ 4.08Å; H516-F518 HydrophobicContact CB-CD2 3.89Å; H516-F518 HydrophobicContact CB-CE2 4.45Å; H516-F518 PolarHBondContact ND1-N 2.66Å; F518-F520 PolarHBondContact O-N 3Å; F518-F523 HydrophobicContact CB-CD2 3.62Å; F518-F523 HydrophobicContact CB-CE2 4.2Å; F518-F523 HydrophobicContact CB-CG 4.34Å; F518-F523 HydrophobicContact CD1-CD2 4.4Å; F518-F523 HydrophobicContact CD1-CE2 4.11Å; F518-F523 HydrophobicContact CG-CD2 4.12Å; F518-F523 HydrophobicContact CG-CE2 4.26Å |
| 519 | S | 76.9 | Confident | 82.2 | Confident | 61 Ų | 61 | 67.3 Ų | 67.3 | 43% | 0.427 | 38% | 0.38 | S | S | . | . | trans | -60.2 | 133 | 177.9 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | D521 T522 F523 | S519-D521 PolarHBondContact O-N 2.94Å; S519-D521 VanDerWaalsContact O-N 3.14Å; S519-D521 PolarHBondContact OG-N 2.89Å; S519-D521 PolarHBondContact OG-OD2 2.86Å; S519-T522 PolarHBondContact O-N 3.16Å; S519-T522 VanDerWaalsContact O-N 3.08Å; S519-F523 PolarHBondContact O-N 2.93Å | ||
| 520 | F | 70.6 | Confident | 82.1 | Confident | 146 Ų | 146 | 67.3 Ų | 67.3 | 64% | 0.64 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -15.2 | 174.6 | -60.3 | -69.1 | 0 | 0 | 0 | 113.2 | F518 T522 F523 | F518-F520 PolarHBondContact O-N 3Å; F520-T522 PolarHBondContact O-N 2.78Å; F520-F523 WeakPolarHBondContact CA-O 3.15Å |
| 521 | D | 71.8 | Confident | 81.9 | Confident | 153 Ų | 153 | 66.6 Ų | 66.6 | 82% | 0.818 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -23.2 | 174.8 | -58 | -41.6 | 0 | 0 | 0 | 112.6 | S519 | S519-D521 PolarHBondContact O-N 2.94Å; S519-D521 VanDerWaalsContact O-N 3.14Å; S519-D521 PolarHBondContact OG-N 2.89Å; S519-D521 PolarHBondContact OG-OD2 2.86Å |
| 522 | T | 68.9 | Low | 81.5 | Confident | 108 Ų | 108 | 68.6 Ų | 68.6 | 66% | 0.663 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | -25.6 | -173.4 | -39.4 | 0 | 0 | 0 | 0 | 112.7 | S519 F520 | S519-T522 PolarHBondContact O-N 3.16Å; S519-T522 VanDerWaalsContact O-N 3.08Å; F520-T522 PolarHBondContact O-N 2.78Å |
| 523 | F | 71.7 | Confident | 80.6 | Confident | 100 Ų | 100 | 68.7 Ų | 68.7 | 44% | 0.439 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -133.3 | 143 | -179.3 | -64.6 | -85.2 | 0 | 0 | 0 | 111.6 | H516 F518 S519 F520 | H516-F523 VanDerWaalsContact NE2-CB 3.32Å; H516-F523 WeakPolarHBondContact NE2-CB 3.48Å; F518-F523 HydrophobicContact CB-CD2 3.62Å; F518-F523 HydrophobicContact CB-CE2 4.2Å; F518-F523 HydrophobicContact CB-CG 4.34Å; F518-F523 HydrophobicContact CD1-CD2 4.4Å; F518-F523 HydrophobicContact CD1-CE2 4.11Å; F518-F523 HydrophobicContact CG-CD2 4.12Å; F518-F523 HydrophobicContact CG-CE2 4.26Å; S519-F523 PolarHBondContact O-N 2.93Å; F520-F523 WeakPolarHBondContact CA-O 3.15Å |
| 524 | P | 74 | Confident | 79.4 | Confident | 103 Ų | 103 | 72 Ų | 72 | 67% | 0.669 | 41% | 0.409 | S | S | * | . | trans | -64.4 | 156.4 | 177.7 | 27.2 | -33.6 | 0 | 0 | 0 | 111.9 | H516 | H516-P524 PolarHBondContact CE1-O 2.8Å; H516-P524 PolarHBondContact NE2-O 2.92Å | ||
| 525 | S | 76.1 | Confident | 77.8 | Confident | 42 Ų | 42 | 74.1 Ų | 74.1 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | trans | -60.2 | 164.3 | 178.5 | 58.4 | 0 | 0 | 0 | 0 | 113.3 | S527 | S525-S527 PolarHBondContact O-N 3.28Š| ||
| 526 | D | 83.7 | Confident | 76 | Confident | 56 Ų | 56 | 77.2 Ų | 77.2 | 30% | 0.299 | 45% | 0.447 | S | S | . | . | trans | -43.8 | 133.3 | 173.9 | -63.8 | -15.1 | 0 | 0 | 0 | 111.5 | L514 I515 H516 | L514-D526 WeakPolarHBondContact O-CA 3.41Å; I515-D526 WeakPolarHBondContact CA-OD1 3.25Å; I515-D526 HydrophobicContact CG1-CB 4.47Å; H516-D526 PolarHBondContact N-OD1 2.82Å | ||
| 527 | S | 84.1 | Confident | 74.1 | Confident | 47 Ų | 47 | 85.9 Ų | 85.9 | 33% | 0.329 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 138.6 | -171.5 | 56.6 | 0 | 0 | 0 | 0 | 111.5 | A513 L514 S525 | A513-S527 CarbonylContact C-O 3.55Å; A513-S527 VanDerWaalsContact CA-O 3.31Å; A513-S527 WeakPolarHBondContact CA-O 3.1Å; L514-S527 PolarHBondContact N-O 2.83Å; L514-S527 PolarHBondContact O-N 2.78Å; S525-S527 PolarHBondContact O-N 3.28Å |
| 528 | E | 86.1 | Confident | 72.1 | Confident | 84 Ų | 84 | 89.8 Ų | 89.8 | 39% | 0.393 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 130.7 | 173.1 | -175.9 | 175.2 | -163.5 | 0 | 0 | 109.8 | S512 A513 H546 | S512-E528 WeakPolarHBondContact O-CA 3.48Å; A513-E528 HydrophobicContact CB-CB 4.23Å; A513-E528 HydrophobicContact CB-CG 4.09Å; E528-H546 PolarHBondContact O-N 2.84Å |
| 529 | V | 85.9 | Confident | 70 | Confident | 54 Ų | 54 | 94.6 Ų | 94.6 | 33% | 0.327 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 121.2 | 176.8 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | C511 S512 I543 L545 | C511-V529 CarbonylContact C-O 3.53Å; C511-V529 WeakPolarHBondContact CA-O 3.22Å; S512-V529 PolarHBondContact N-O 3.08Å; S512-V529 PolarHBondContact O-N 2.83Å; V529-I543 HydrophobicContact CG1-CG2 4.4Å; V529-L545 HydrophobicContact CG2-CG 4.43Å |
| 530 | C | 84.6 | Confident | 68 | Low | 30 Ų | 30 | 94.6 Ų | 94.6 | 20% | 0.203 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 135.3 | 176.7 | -70 | 0 | 0 | 0 | 0 | 111.3 | V510 C511 | V510-C530 CarbonylContact O-C 3.55Å; V510-C530 WeakPolarHBondContact O-CA 3.34Å; C511-C530 HydrophobicContact CB-CB 4.16Å; C511-C530 WeakPolarHBondContact CB-SG 3.48Å; C511-C530 WeakPolarHBondContact SG-CB 3.35Å; C511-C530 CovalentContact SG-SG 2.05Å; C511-C530 PolarHBondContact SG-SG 3.49Å |
| 531 | V | 84.4 | Confident | 66.3 | Low | 55 Ų | 55 | 94.9 Ų | 94.9 | 33% | 0.333 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 124.1 | 172.9 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | S509 V510 F541 | S509-V531 CarbonylContact C-O 3.59Å; S509-V531 WeakPolarHBondContact CA-O 3.49Å; V510-V531 PolarHBondContact N-O 3.39Å; V510-V531 PolarHBondContact O-N 2.78Å; V531-F541 HydrophobicContact CG1-CD1 4.4Å |
| 532 | T | 80 | Confident | 64.6 | Low | 62 Ų | 62 | 96 Ų | 96 | 38% | 0.38 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129.7 | 177.3 | -50.8 | 0 | 0 | 0 | 0 | 109.1 | P508 | P508-T532 WeakPolarHBondContact O-CA 3.47Å |
| 533 | A | 73.2 | Confident | 63 | Low | 47 Ų | 47 | 96.4 Ų | 96.4 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | trans | -100.6 | 125 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | S507 P508 | S507-A533 WeakPolarHBondContact CA-O 3.02Å; P508-A533 VanDerWaalsContact CD-O 3.25Å; P508-A533 WeakPolarHBondContact CD-O 3.06Å; P508-A533 HydrophobicContact CG-CB 4.25Å; P508-A533 PolarHBondContact O-N 2.8Å | ||
| 534 | T | 65.4 | Low | 61.4 | Low | 84 Ų | 84 | 96.4 Ų | 96.4 | 52% | 0.515 | 52% | 0.523 | S | S | . | . | trans | -110.1 | 124.4 | 177.3 | 51.1 | 0 | 0 | 0 | 0 | 110 | N536 | T534-N536 PolarHBondContact O-N 2.98Å; T534-N536 VanDerWaalsContact O-N 3.08Å | ||
| 535 | S | 55 | Low | 59.4 | Low | 107 Ų | 107 | 97 Ų | 97 | 75% | 0.748 | 52% | 0.52 | S | S | * | . | trans | -79.8 | 88.5 | 176.5 | 175 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 536 | N | 50.2 | Low | 57.7 | Low | 145 Ų | 145 | 100.4 Ų | 100.4 | 78% | 0.775 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -154.6 | 98.3 | 157.3 | -111.4 | -4.3 | 0 | 0 | 0 | 109.5 | T534 H538 | T534-N536 PolarHBondContact O-N 2.98Å; T534-N536 VanDerWaalsContact O-N 3.08Å; N536-H538 PolarHBondContact O-N 3.05Å |
| 537 | Q | 46.6 | Very low | 55.4 | Low | 201 Ų | 201 | 101.9 Ų | 101.9 | 94% | 0.939 | 54% | 0.542 | S | S | * | . | S | Bend | trans | 33.4 | 4.2 | 167.9 | -74.3 | -174.7 | -15.8 | 0 | 0 | 122.7 | ||
| 538 | H | 43.6 | Very low | 53.3 | Low | 158 Ų | 158 | 105.9 Ų | 105.9 | 73% | 0.731 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -145.3 | 117.3 | 169.1 | -89.5 | -87.8 | 0 | 0 | 0 | 108.7 | N536 S540 | N536-H538 PolarHBondContact O-N 3.05Å; H538-S540 PolarHBondContact O-N 3.49Å |
| 539 | L | 37.2 | Very low | 50.8 | Low | 144 Ų | 144 | 110.7 Ų | 110.7 | 75% | 0.754 | 58% | 0.579 | S | S | * | * | trans | -65.2 | 96 | 170.3 | -95.8 | 143.4 | 0 | 0 | 0 | 108.8 | F541 | L539-F541 HydrophobicContact CB-CE2 4.25Å; L539-F541 HydrophobicContact CD2-CE1 4.32Å; L539-F541 HydrophobicContact CD2-CE2 4.1Å; L539-F541 HydrophobicContact CD2-CZ 3.78Å | ||
| 540 | S | 34.2 | Very low | 48.3 | Very low | 61 Ų | 61 | 111.8 Ų | 111.8 | 43% | 0.427 | 60% | 0.602 | S | S | . | * | trans | -98.1 | 110.6 | 169 | -59.4 | 0 | 0 | 0 | 0 | 108.2 | H538 | H538-S540 PolarHBondContact O-N 3.49Š| ||
| 541 | F | 36.1 | Very low | 45.9 | Very low | 152 Ų | 152 | 114 Ų | 114 | 67% | 0.667 | 63% | 0.63 | S | S | * | * | trans | -84.2 | 109.3 | 173.2 | -65.6 | -88.2 | 0 | 0 | 0 | 108.8 | V531 L539 | V531-F541 HydrophobicContact CG1-CD1 4.4Å; L539-F541 HydrophobicContact CB-CE2 4.25Å; L539-F541 HydrophobicContact CD2-CE1 4.32Å; L539-F541 HydrophobicContact CD2-CE2 4.1Å; L539-F541 HydrophobicContact CD2-CZ 3.78Å | ||
| 542 | Y | 36.7 | Very low | 43.4 | Very low | 177 Ų | 177 | 121.8 Ų | 121.8 | 69% | 0.694 | 68% | 0.678 | S | S | * | * | trans | -95.3 | 112.3 | 164.8 | -73.1 | -85.4 | 0 | 0 | 0 | 108.1 | ||||
| 543 | I | 34.7 | Very low | 41.6 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 60% | 0.595 | 69% | 0.693 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.1 | 103.8 | 165.9 | -61.7 | 174.4 | 0 | 0 | 0 | 106 | V529 L545 | V529-I543 HydrophobicContact CG1-CG2 4.4Å; I543-L545 HydrophobicContact CG2-CD1 4.08Å |
| 544 | L | 38.1 | Very low | 39.9 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 52% | 0.524 | 71% | 0.709 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.8 | 109.3 | 164.1 | -117.5 | 90.2 | 0 | 0 | 0 | 107.3 | ||
| 545 | L | 31.6 | Very low | 38.5 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 61% | 0.607 | 72% | 0.719 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.7 | 101.8 | 172.7 | -123.1 | 144.7 | 0 | 0 | 0 | 106.9 | V529 I543 V547 | V529-L545 HydrophobicContact CG2-CG 4.43Å; I543-L545 HydrophobicContact CG2-CD1 4.08Å; L545-V547 HydrophobicContact CD2-CG2 4.39Å |
| 546 | H | 39.8 | Very low | 37.5 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 52% | 0.519 | 72% | 0.718 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 106.5 | 170 | -94.7 | -68.2 | 0 | 0 | 0 | 108.5 | E528 M548 | E528-H546 PolarHBondContact O-N 2.84Å; H546-M548 PolarHBondContact O-N 3.16Å |
| 547 | V | 36.3 | Very low | 36.7 | Very low | 87 Ų | 87 | 132.1 Ų | 132.1 | 53% | 0.527 | 71% | 0.714 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.4 | 107.7 | 163.1 | 178.7 | 0 | 0 | 0 | 0 | 106.3 | L545 Q549 | L545-V547 HydrophobicContact CD2-CG2 4.39Å; V547-Q549 PolarHBondContact O-N 3.36Å; V547-Q549 VanDerWaalsContact O-N 3.09Å |
| 548 | M | 39.5 | Very low | 36.1 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 65% | 0.645 | 70% | 0.699 | S | S | * | * | trans | -76.2 | 94.8 | 173.7 | -72.2 | -79.3 | -82.4 | 0 | 0 | 107.9 | H546 G550 | H546-M548 PolarHBondContact O-N 3.16Å; M548-G550 PolarHBondContact O-N 2.84Å; M548-G550 VanDerWaalsContact O-N 3.13Å | ||
| 549 | Q | 33.4 | Very low | 35.5 | Very low | 185 Ų | 185 | 125.3 Ų | 125.3 | 86% | 0.864 | 70% | 0.697 | S | S | * | * | trans | -70.3 | 103.6 | 166.3 | -83.9 | 179.5 | -32.4 | 0 | 0 | 108.4 | V547 G551 | V547-Q549 PolarHBondContact O-N 3.36Å; V547-Q549 VanDerWaalsContact O-N 3.09Å; Q549-G551 PolarHBondContact O-N 3.39Å | ||
| 550 | G | 33.1 | Very low | 35.4 | Very low | 78 Ų | 78 | 123.8 Ų | 123.8 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | trans | -63 | 118.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | M548 | M548-G550 PolarHBondContact O-N 2.84Å; M548-G550 VanDerWaalsContact O-N 3.13Å | ||
| 551 | G | 34.3 | Very low | 35.5 | Very low | 76 Ų | 76 | 129.1 Ų | 129.1 | 78% | 0.784 | 71% | 0.714 | S | S | * | * | trans | -67.6 | 141.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q549 | Q549-G551 PolarHBondContact O-N 3.39Š| ||
| 552 | T | 32.5 | Very low | 35.4 | Very low | 219 Ų | 219 | 127 Ų | 127 | 100% | 1.344 | 72% | 0.719 | S | S | * | * | trans | -49.2 | 0 | 176.2 | 48.6 | 0 | 0 | 0 | 0 | 114.9 |
Retrieved 552 of 552 residues in 1952.9 ms
(Link to these results)