| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.1 | Very low | 33.7 | Very low | 245 Ų | 245 | 130.3 Ų | 130.3 | 100% | 1.207 | 69% | 0.686 | S | S | * | * | 0 | 102.5 | 0 | -82.6 | 164.9 | 117.7 | 0 | 0 | 107.5 | E3 | M1-E3 PolarHBondContact O-N 2.93Š| |||
| 2 | S | 33.2 | Very low | 34.5 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 69% | 0.692 | 70% | 0.696 | S | S | * | * | trans | -83.6 | 98.2 | 175.5 | 40.8 | 0 | 0 | 0 | 0 | 108.6 | H4 | S2-H4 PolarHBondContact O-N 3.35Å; S2-H4 PolarHBondContact O-ND1 3.06Å; S2-H4 VanDerWaalsContact O-ND1 3.12Å | ||
| 3 | E | 30.2 | Very low | 35.2 | Very low | 185 Ų | 185 | 128.8 Ų | 128.8 | 86% | 0.864 | 67% | 0.665 | S | S | * | * | trans | -57.9 | 113.3 | 168.2 | -73 | -176.3 | 166.1 | 0 | 0 | 108.6 | M1 K5 | M1-E3 PolarHBondContact O-N 2.93Å; E3-K5 PolarHBondContact O-N 3.12Å | ||
| 4 | H | 32.1 | Very low | 35.9 | Very low | 156 Ų | 156 | 123.1 Ų | 123.1 | 72% | 0.722 | 64% | 0.636 | S | S | * | * | trans | -67.3 | 99.5 | 174.6 | -78.8 | 32.7 | 0 | 0 | 0 | 108 | S2 Y6 | S2-H4 PolarHBondContact O-N 3.35Å; S2-H4 PolarHBondContact O-ND1 3.06Å; S2-H4 VanDerWaalsContact O-ND1 3.12Å; H4-Y6 PolarHBondContact O-N 2.86Å; H4-Y6 VanDerWaalsContact O-N 3.13Å | ||
| 5 | K | 29.9 | Very low | 36.5 | Very low | 204 Ų | 204 | 126.6 Ų | 126.6 | 89% | 0.887 | 65% | 0.645 | S | S | * | * | trans | -76.1 | 97.8 | -179.7 | -157.5 | 175.7 | -171.3 | 179.1 | 0 | 108.3 | E3 | E3-K5 PolarHBondContact O-N 3.12Š| ||
| 6 | Y | 30.2 | Very low | 37.3 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 49% | 0.486 | 64% | 0.644 | S | S | . | * | trans | -53.7 | 137.8 | 173.9 | -73 | -89 | 0 | 0 | 0 | 110.5 | H4 S8 Q81 | H4-Y6 PolarHBondContact O-N 2.86Å; H4-Y6 VanDerWaalsContact O-N 3.13Å; Y6-S8 PolarHBondContact O-N 3.06Å; Y6-Q81 PolarHBondContact OH-O 3.5Å | ||
| 7 | P | 30.6 | Very low | 38.3 | Very low | 78 Ų | 78 | 120.1 Ų | 120.1 | 51% | 0.506 | 61% | 0.613 | S | S | . | * | trans | -57.4 | 125.8 | 174.9 | -19.4 | 29.8 | 0 | 0 | 0 | 110 | S9 L10 | P7-S9 PolarHBondContact O-N 2.89Å; P7-L10 HydrophobicContact CB-CD1 4.25Å; P7-L10 HydrophobicContact CG-CD1 4.13Å; P7-L10 PolarHBondContact O-N 3.23Å | ||
| 8 | S | 37.4 | Very low | 39.8 | Very low | 107 Ų | 107 | 115.8 Ų | 115.8 | 75% | 0.748 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -20.6 | -170.2 | 44.8 | 0 | 0 | 0 | 0 | 115.1 | Y6 | Y6-S8 PolarHBondContact O-N 3.06Š|
| 9 | S | 39.1 | Very low | 41.7 | Very low | 108 Ų | 108 | 115.9 Ų | 115.9 | 76% | 0.755 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -8.2 | 177.7 | 52.9 | 0 | 0 | 0 | 0 | 114.5 | P7 | P7-S9 PolarHBondContact O-N 2.89Š|
| 10 | L | 36 | Very low | 43.7 | Very low | 45 Ų | 45 | 116.8 Ų | 116.8 | 24% | 0.236 | 59% | 0.591 | C | S | . | * | S | Bend | trans | -96.8 | -10.4 | 179.4 | -75.6 | 164.1 | 0 | 0 | 0 | 114 | P7 K12 L13 D14 R128 | P7-L10 HydrophobicContact CB-CD1 4.25Å; P7-L10 HydrophobicContact CG-CD1 4.13Å; P7-L10 PolarHBondContact O-N 3.23Å; L10-K12 VanDerWaalsContact C-N 3.31Å; L10-K12 PolarHBondContact O-N 3.31Å; L10-K12 VanDerWaalsContact O-N 3.09Å; L10-L13 PolarHBondContact O-N 2.95Å; L10-D14 PolarHBondContact O-N 3.13Å; L10-R128 VanDerWaalsContact CD2-NH2 3.27Å |
| 11 | N | 39 | Very low | 45.6 | Very low | 82 Ų | 82 | 117.9 Ų | 117.9 | 44% | 0.439 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.4 | -12.4 | -162.4 | -79.9 | -26.8 | 0 | 0 | 0 | 117.4 | ||
| 12 | K | 43.8 | Very low | 48.1 | Very low | 185 Ų | 185 | 107.7 Ų | 107.7 | 80% | 0.804 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -30.7 | -179.8 | -147 | 176.8 | -176.5 | -172 | 0 | 113.3 | L10 | L10-K12 VanDerWaalsContact C-N 3.31Å; L10-K12 PolarHBondContact O-N 3.31Å; L10-K12 VanDerWaalsContact O-N 3.09Å |
| 13 | L | 43.2 | Very low | 50.6 | Low | 57 Ų | 57 | 109.2 Ų | 109.2 | 30% | 0.298 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -81.4 | -35.4 | 179.5 | -165.3 | 66.2 | 0 | 0 | 0 | 111.2 | L10 I17 L53 | L10-L13 PolarHBondContact O-N 2.95Å; L13-I17 HydrophobicContact CD1-CD1 3.74Å; L13-I17 HydrophobicContact CD1-CG1 4.24Å; L13-I17 HydrophobicContact CD2-CD1 4.21Å; L13-I17 HydrophobicContact CG-CD1 3.52Å; L13-I17 HydrophobicContact CG-CG1 4.35Å; L13-I17 WeakPolarHBondContact O-CD1 3.25Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.22Å; L13-I17 PolarHBondContact O-N 3.43Å; L13-L53 HydrophobicContact CD2-CD1 4.38Å; L13-L53 HydrophobicContact CD2-CD2 4.38Å |
| 14 | D | 45.2 | Very low | 53 | Low | 48 Ų | 48 | 102.3 Ų | 102.3 | 26% | 0.257 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -74.8 | -26.3 | -174 | -82 | -15.9 | 0 | 0 | 0 | 114.8 | L10 | L10-D14 PolarHBondContact O-N 3.13Å |
| 15 | K | 44.9 | Very low | 55.1 | Low | 176 Ų | 176 | 99.9 Ų | 99.9 | 77% | 0.765 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -79.1 | -31 | 179.9 | -69.4 | -169.6 | 179.1 | -175.2 | 0 | 113.4 | ||
| 16 | D | 49.7 | Very low | 57.1 | Low | 119 Ų | 119 | 96.3 Ų | 96.3 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -97.6 | -15.2 | -170.5 | -81.3 | -12.1 | 0 | 0 | 0 | 114.3 | R20 | D16-R20 PolarHBondContact O-NH2 2.83Å |
| 17 | I | 53.3 | Low | 58.8 | Low | 24 Ų | 24 | 96 Ų | 96 | 12% | 0.123 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -76.5 | -39.4 | -178.6 | -58.3 | 166.8 | 0 | 0 | 0 | 111.4 | L13 Y19 R20 L53 F79 | L13-I17 HydrophobicContact CD1-CD1 3.74Å; L13-I17 HydrophobicContact CD1-CG1 4.24Å; L13-I17 HydrophobicContact CD2-CD1 4.21Å; L13-I17 HydrophobicContact CG-CD1 3.52Å; L13-I17 HydrophobicContact CG-CG1 4.35Å; L13-I17 WeakPolarHBondContact O-CD1 3.25Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.22Å; L13-I17 PolarHBondContact O-N 3.43Å; I17-Y19 PolarHBondContact O-N 3.19Å; I17-R20 HydrophobicContact CG2-CG 4.17Å; I17-R20 WeakPolarHBondContact O-CG 3.26Å; I17-R20 PolarHBondContact O-NE 3.35Å; I17-R20 VanDerWaalsContact O-NE 3.11Å; I17-L53 HydrophobicContact CD1-CD1 3.87Å; I17-F79 HydrophobicContact CB-CD2 4.27Å; I17-F79 HydrophobicContact CB-CE2 3.98Å; I17-F79 HydrophobicContact CB-CZ 4.44Å; I17-F79 HydrophobicContact CD1-CE2 4.49Å; I17-F79 HydrophobicContact CD1-CZ 4.12Å; I17-F79 HydrophobicContact CG2-CD2 3.88Å; I17-F79 HydrophobicContact CG2-CE2 3.26Å; I17-F79 HydrophobicContact CG2-CZ 3.92Å |
| 18 | G | 66.6 | Low | 60.2 | Low | 42 Ų | 42 | 98.7 Ų | 98.7 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | trans | 46 | -137.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 19 | Y | 75 | Confident | 61.1 | Low | 118 Ų | 118 | 102.1 Ų | 102.1 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -87.6 | 133.9 | 169.6 | 162.2 | -102.9 | 0 | 0 | 0 | 110.4 | I17 D76 L77 H78 | I17-Y19 PolarHBondContact O-N 3.19Å; Y19-D76 HydrophobicContact CE2-CB 3.81Å; Y19-D76 VanDerWaalsContact CE2-OD1 3.25Å; Y19-D76 WeakPolarHBondContact CE2-OD1 3.37Å; Y19-D76 PolarHBondContact OH-OD1 3.31Å; Y19-L77 WeakPolarHBondContact CA-O 3.2Å; Y19-H78 AromaticContact CD2-CE1 3.26Å; Y19-H78 WeakPolarHBondContact CD2-CE1 3.24Å; Y19-H78 AromaticContact CD2-ND1 3.86Å; Y19-H78 AromaticContact CD2-NE2 3.37Å; Y19-H78 WeakPolarHBondContact CD2-NE2 3.35Å; Y19-H78 AromaticContact CE2-CE1 3.9Å; Y19-H78 AromaticContact CE2-NE2 3.66Å |
| 20 | R | 81.9 | Confident | 62.1 | Low | 133 Ų | 133 | 105.7 Ų | 105.7 | 50% | 0.502 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 127.7 | 172.2 | -61.9 | -66 | 176.3 | -166.7 | 0.6 | 111 | D16 I17 L22 L77 | D16-R20 PolarHBondContact O-NH2 2.83Å; I17-R20 HydrophobicContact CG2-CG 4.17Å; I17-R20 WeakPolarHBondContact O-CG 3.26Å; I17-R20 PolarHBondContact O-NE 3.35Å; I17-R20 VanDerWaalsContact O-NE 3.11Å; R20-L22 HydrophobicContact CB-CD2 4.39Å; R20-L77 PolarHBondContact N-O 3.37Å; R20-L77 PolarHBondContact O-N 3.44Å |
| 21 | K | 84.3 | Confident | 63.3 | Low | 140 Ų | 140 | 104.9 Ų | 104.9 | 61% | 0.609 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 122.5 | 164.5 | -171.4 | 169.9 | -174.4 | 174 | 0 | 108.8 | N73 | K21-N73 WeakPolarHBondContact CE-ND2 3.46Å; K21-N73 WeakPolarHBondContact CG-ND2 3.29Å |
| 22 | L | 85.4 | Confident | 64.4 | Low | 32 Ų | 32 | 106.2 Ų | 106.2 | 17% | 0.168 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 134.1 | -178.6 | -60.2 | -177.7 | 0 | 0 | 0 | 110.8 | R20 I55 N73 L74 G75 L77 L88 | R20-L22 HydrophobicContact CB-CD2 4.39Å; L22-I55 HydrophobicContact CD1-CD1 3.6Å; L22-N73 WeakPolarHBondContact O-CA 3.4Å; L22-N73 PolarHBondContact O-ND2 2.9Å; L22-L74 HydrophobicContact CB-CB 4.14Å; L22-L74 HydrophobicContact CB-CD2 4.46Å; L22-L74 HydrophobicContact CD1-CD2 4.28Å; L22-L74 PolarHBondContact O-N 3.37Å; L22-G75 PolarHBondContact N-O 2.93Å; L22-L77 HydrophobicContact CD1-CB 4.03Å; L22-L77 HydrophobicContact CD1-CD2 4.49Å; L22-L77 HydrophobicContact CG-CB 4.16Å; L22-L88 HydrophobicContact CD1-CD1 3.81Å |
| 23 | E | 84.9 | Confident | 65.4 | Low | 131 Ų | 131 | 101.9 Ų | 101.9 | 61% | 0.612 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 139.2 | 172.2 | -173.8 | 177.8 | 169 | 0 | 0 | 109.1 | V25 G71 | E23-V25 PolarHBondContact O-N 2.76Å; E23-G71 WeakPolarHBondContact OE1-CA 3.32Å |
| 24 | I | 80.6 | Confident | 66.5 | Low | 39 Ų | 39 | 104.6 Ų | 104.6 | 20% | 0.2 | 52% | 0.519 | C | S | . | . | trans | -82.4 | 111.9 | 177.1 | -55.8 | 173.9 | 0 | 0 | 0 | 107.5 | V61 L69 E70 G71 K72 L74 | I24-V61 HydrophobicContact CD1-CG1 4.36Å; I24-L69 WeakPolarHBondContact CB-O 3.25Å; I24-L69 HydrophobicContact CD1-CB 3.75Å; I24-L69 HydrophobicContact CD1-CD1 4.29Å; I24-L69 HydrophobicContact CD1-CD2 4.15Å; I24-L69 HydrophobicContact CD1-CG 4.29Å; I24-L69 HydrophobicContact CG2-CB 4.2Å; I24-E70 CarbonylContact O-C 3.59Å; I24-G71 PolarHBondContact O-N 2.85Å; I24-K72 PolarHBondContact N-O 3.11Å; I24-L74 HydrophobicContact CD1-CB 4.16Å; I24-L74 HydrophobicContact CD1-CD1 3.96Å; I24-L74 HydrophobicContact CG1-CB 3.81Å; I24-L74 HydrophobicContact CG1-CD1 4.36Å; I24-L74 HydrophobicContact CG1-CG 4.5Å | ||
| 25 | V | 77.3 | Confident | 67.4 | Low | 105 Ų | 105 | 105.9 Ų | 105.9 | 64% | 0.636 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -83.9 | 164.2 | 173 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | E23 | E23-V25 PolarHBondContact O-N 2.76Š|
| 26 | E | 70.5 | Confident | 68.2 | Low | 129 Ų | 129 | 102.6 Ų | 102.6 | 60% | 0.603 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -48.3 | 138.6 | 173.4 | -77.6 | -175 | 170.4 | 0 | 0 | 111.7 | E70 | E26-E70 HydrophobicContact CG-CG 3.78Å; E26-E70 WeakPolarHBondContact CG-OE1 3.5Å |
| 27 | P | 66 | Low | 69.1 | Low | 117 Ų | 117 | 104.8 Ų | 104.8 | 76% | 0.76 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 138 | 179.8 | 27.7 | -33.4 | 0 | 0 | 0 | 111.6 | Y29 | P27-Y29 PolarHBondContact O-N 3.23Š|
| 28 | Y | 60.6 | Low | 70.1 | Confident | 135 Ų | 135 | 107.4 Ų | 107.4 | 53% | 0.529 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 121.3 | 169.8 | -77.6 | -89.4 | 0 | 0 | 0 | 110.6 | W52 V108 | Y28-W52 HydrophobicContact CE2-CH2 4.25Å; Y28-W52 HydrophobicContact CE2-CZ3 4.06Å; Y28-W52 WeakPolarHBondContact OH-CH2 3.48Å; Y28-V108 HydrophobicContact CE1-CG1 4.48Å |
| 29 | Y | 55.6 | Low | 70.7 | Confident | 180 Ų | 180 | 113 Ų | 113 | 71% | 0.706 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 129 | -177.4 | -174.4 | -97.5 | 0 | 0 | 0 | 112.7 | P27 | P27-Y29 PolarHBondContact O-N 3.23Š|
| 30 | K | 61.2 | Low | 71.2 | Confident | 183 Ų | 183 | 109.2 Ų | 109.2 | 80% | 0.796 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 121.1 | 169.4 | -176.6 | -177 | 177.5 | -176.1 | 0 | 109.7 | S32 | K30-S32 PolarHBondContact O-N 3.45Š|
| 31 | P | 59.7 | Low | 71.5 | Confident | 28 Ų | 28 | 105.6 Ų | 105.6 | 18% | 0.182 | 55% | 0.553 | C | S | . | * | P | Polyproline II helix | trans | -59 | 136.1 | 174.5 | -22.9 | 33.9 | 0 | 0 | 0 | 111.9 | F34 Y120 | P31-F34 HydrophobicContact CB-CE1 4.32Å; P31-F34 HydrophobicContact CB-CE2 4.19Å; P31-F34 HydrophobicContact CB-CZ 3.89Å; P31-F34 HydrophobicContact CG-CE1 4.34Å; P31-F34 HydrophobicContact CG-CE2 4.35Å; P31-F34 HydrophobicContact CG-CZ 3.75Å; P31-Y120 WeakPolarHBondContact CG-OH 3.31Å |
| 32 | S | 63.7 | Low | 71.7 | Confident | 110 Ų | 110 | 103.6 Ų | 103.6 | 77% | 0.769 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -72.4 | -26.6 | -174.6 | 49 | 0 | 0 | 0 | 0 | 114.1 | K30 | K30-S32 PolarHBondContact O-N 3.45Š|
| 33 | S | 64.5 | Low | 71.9 | Confident | 93 Ų | 93 | 106 Ų | 106 | 65% | 0.65 | 56% | 0.558 | S | S | * | * | trans | -157.5 | 145.2 | 174.9 | 57.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 34 | F | 65.3 | Low | 72.1 | Confident | 114 Ų | 114 | 102.2 Ų | 102.2 | 50% | 0.5 | 55% | 0.554 | S | S | . | * | trans | -111.2 | 127.1 | 166.2 | -70.4 | -75.4 | 0 | 0 | 0 | 107.7 | P31 S36 I40 L118 | P31-F34 HydrophobicContact CB-CE1 4.32Å; P31-F34 HydrophobicContact CB-CE2 4.19Å; P31-F34 HydrophobicContact CB-CZ 3.89Å; P31-F34 HydrophobicContact CG-CE1 4.34Å; P31-F34 HydrophobicContact CG-CE2 4.35Å; P31-F34 HydrophobicContact CG-CZ 3.75Å; F34-S36 PolarHBondContact O-N 2.85Å; F34-I40 HydrophobicContact CD1-CD1 3.46Å; F34-I40 VanDerWaalsContact CD1-CD1 3.46Å; F34-I40 HydrophobicContact CE1-CD1 3.37Å; F34-L118 HydrophobicContact CE1-CD2 4.45Å | ||
| 35 | P | 64.7 | Low | 72.3 | Confident | 76 Ų | 76 | 103.5 Ų | 103.5 | 49% | 0.494 | 57% | 0.565 | S | S | . | * | trans | -62.4 | 133.8 | 170.8 | 20.2 | -24.2 | 0 | 0 | 0 | 109.5 | N37 M38 | P35-N37 PolarHBondContact O-N 2.87Å; P35-M38 HydrophobicContact CG-CB 3.98Å; P35-M38 HydrophobicContact CG-CE 4.2Å; P35-M38 HydrophobicContact CG-SD 3.71Å; P35-M38 PolarHBondContact O-N 2.77Å | ||
| 36 | S | 61.3 | Low | 72.6 | Confident | 107 Ų | 107 | 107.4 Ų | 107.4 | 75% | 0.748 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 128.7 | 171 | 47.4 | 0 | 0 | 0 | 0 | 108.2 | F34 | F34-S36 PolarHBondContact O-N 2.85Š|
| 37 | N | 68.7 | Low | 73.4 | Confident | 164 Ų | 164 | 104 Ų | 104 | 88% | 0.877 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.1 | 15.5 | 179.9 | -42.2 | -27.1 | 0 | 0 | 0 | 117.1 | P35 | P35-N37 PolarHBondContact O-N 2.87Š|
| 38 | M | 74.5 | Confident | 74.3 | Confident | 79 Ų | 79 | 107.6 Ų | 107.6 | 39% | 0.389 | 59% | 0.588 | S | S | . | * | trans | -92.4 | 120.5 | 172.7 | -165.8 | 168.1 | 83.1 | 0 | 0 | 112 | P35 I40 L118 | P35-M38 HydrophobicContact CG-CB 3.98Å; P35-M38 HydrophobicContact CG-CE 4.2Å; P35-M38 HydrophobicContact CG-SD 3.71Å; P35-M38 PolarHBondContact O-N 2.77Å; M38-I40 HydrophobicContact CE-CD1 3.61Å; M38-I40 HydrophobicContact CE-CG1 3.56Å; M38-I40 HydrophobicContact CG-CG1 4.3Å; M38-L118 HydrophobicContact CE-CB 4.24Å; M38-L118 HydrophobicContact CE-CD2 3.27Å; M38-L118 HydrophobicContact CE-CG 4.26Å | ||
| 39 | I | 79.8 | Confident | 75.6 | Confident | 159 Ų | 159 | 103.8 Ų | 103.8 | 82% | 0.815 | 58% | 0.579 | S | S | * | * | trans | -78.7 | 122.2 | 166.1 | -62.6 | 172.8 | 0 | 0 | 0 | 107.2 | ||||
| 40 | I | 84.6 | Confident | 77.2 | Confident | 40 Ų | 40 | 100.4 Ų | 100.4 | 21% | 0.205 | 57% | 0.573 | C | S | . | * | trans | -107.7 | 113.7 | 177.8 | -58.9 | 178 | 0 | 0 | 0 | 107.5 | F34 M38 I42 L118 Y120 | F34-I40 HydrophobicContact CD1-CD1 3.46Å; F34-I40 VanDerWaalsContact CD1-CD1 3.46Å; F34-I40 HydrophobicContact CE1-CD1 3.37Å; M38-I40 HydrophobicContact CE-CD1 3.61Å; M38-I40 HydrophobicContact CE-CG1 3.56Å; M38-I40 HydrophobicContact CG-CG1 4.3Å; I40-I42 PolarHBondContact O-N 3.44Å; I40-L118 HydrophobicContact CD1-CD2 3.97Å; I40-L118 HydrophobicContact CG1-CD2 4.47Å; I40-Y120 HydrophobicContact CG2-CD2 3.49Å; I40-Y120 VanDerWaalsContact CG2-CD2 3.49Å; I40-Y120 HydrophobicContact CG2-CE2 3.81Å | ||
| 41 | P | 87.9 | Confident | 78.5 | Confident | 57 Ų | 57 | 96.5 Ų | 96.5 | 37% | 0.37 | 56% | 0.558 | S | S | . | * | trans | -61.5 | 129.8 | 173.8 | -20.1 | 32.3 | 0 | 0 | 0 | 110.2 | Q119 Y120 | P41-Q119 HydrophobicContact CB-CB 4.18Å; P41-Q119 HydrophobicContact CG-CB 4.42Å; P41-Q119 WeakPolarHBondContact O-CA 3.39Å; P41-Y120 PolarHBondContact O-N 3.36Å | ||
| 42 | I | 89.7 | Confident | 80.1 | Confident | 97 Ų | 97 | 99.8 Ų | 99.8 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.1 | 113.8 | 171.5 | -61.6 | 175.2 | 0 | 0 | 0 | 106.9 | I40 Y120 V122 | I40-I42 PolarHBondContact O-N 3.44Å; I42-Y120 CarbonylContact C-O 3.55Å; I42-Y120 VanDerWaalsContact CA-O 3.27Å; I42-Y120 WeakPolarHBondContact CA-O 3.01Å; I42-V122 HydrophobicContact CG2-CG2 3.49Å; I42-V122 VanDerWaalsContact CG2-CG2 3.49Å |
| 43 | H | 89.4 | Confident | 81.4 | Confident | 84 Ų | 84 | 97.1 Ų | 97.1 | 39% | 0.389 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 126.2 | -179.7 | -59.6 | -71 | 0 | 0 | 0 | 109.9 | Q119 Y120 D121 V122 | H43-Q119 PolarHBondContact NE2-OE1 3.23Å; H43-Q119 VanDerWaalsContact NE2-OE1 3.09Å; H43-Y120 PolarHBondContact N-O 3.09Å; H43-D121 IonicContact CD2-OD1 3.61Å; H43-D121 IonicContact CG-OD1 3.99Å; H43-D121 CarbonylContact O-C 3.55Å; H43-D121 WeakPolarHBondContact O-CA 3.34Å; H43-V122 PolarHBondContact O-N 2.82Å |
| 44 | G | 87.8 | Confident | 82.7 | Confident | 51 Ų | 51 | 95.1 Ų | 95.1 | 53% | 0.526 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 159.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 45 | P | 85.7 | Confident | 84.1 | Confident | 65 Ų | 65 | 92.6 Ų | 92.6 | 42% | 0.422 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 154 | 168.5 | 30 | -34.2 | 0 | 0 | 0 | 110.8 | G47 V49 | P45-G47 PolarHBondContact O-N 2.78Å; P45-G47 VanDerWaalsContact O-N 3.09Å; P45-V49 HydrophobicContact CG-CB 4.16Å |
| 46 | D | 83.9 | Confident | 85.5 | Confident | 188 Ų | 188 | 92.6 Ų | 92.6 | 100% | 1.005 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -68 | -4.1 | 176.2 | -65.4 | -40.5 | 0 | 0 | 0 | 113.8 | ||
| 47 | G | 85.9 | Confident | 87 | Confident | 57 Ų | 57 | 89.9 Ų | 89.9 | 59% | 0.588 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -140.7 | -145 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P45 | P45-G47 PolarHBondContact O-N 2.78Å; P45-G47 VanDerWaalsContact O-N 3.09Å |
| 48 | E | 86.4 | Confident | 88 | Confident | 192 Ų | 192 | 85.7 Ų | 85.7 | 90% | 0.897 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 136 | 179.8 | -67.9 | -170.9 | 172.3 | 0 | 0 | 111.6 | ||
| 49 | V | 87.5 | Confident | 88.6 | Confident | 56 Ų | 56 | 84 Ų | 84 | 34% | 0.339 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -87 | 131 | 171.1 | 63.6 | 0 | 0 | 0 | 0 | 109 | P45 V122 V125 | P45-V49 HydrophobicContact CG-CB 4.16Å; V49-V122 HydrophobicContact CG2-CG1 3.75Å; V49-V125 HydrophobicContact CG1-CB 4.45Å; V49-V125 HydrophobicContact CG1-CG1 3.95Å |
| 50 | N | 88.8 | Confident | 88.9 | Confident | 108 Ų | 108 | 83.3 Ų | 83.3 | 58% | 0.578 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 146.6 | 175.3 | -69.4 | -45.6 | 0 | 0 | 0 | 110.7 | S124 V125 | N50-S124 CarbonylContact O-C 3.56Å; N50-S124 WeakPolarHBondContact O-CA 3.39Å; N50-S124 WeakPolarHBondContact O-CB 3.45Å; N50-V125 PolarHBondContact O-N 2.89Å |
| 51 | E | 89.1 | Confident | 89.1 | Confident | 101 Ų | 101 | 83.8 Ų | 83.8 | 47% | 0.472 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 125.7 | 172 | -172.9 | 169.6 | -174.7 | 0 | 0 | 110.3 | V125 | E51-V125 WeakPolarHBondContact CA-O 3.29Å |
| 52 | W | 92.3 | Very high | 88.9 | Confident | 98 Ų | 98 | 88 Ų | 88 | 37% | 0.371 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 152.3 | 173.8 | -73.8 | 10.2 | 0 | 0 | 0 | 110.5 | Y28 V108 V123 V125 I126 | Y28-W52 HydrophobicContact CE2-CH2 4.25Å; Y28-W52 HydrophobicContact CE2-CZ3 4.06Å; Y28-W52 WeakPolarHBondContact OH-CH2 3.48Å; W52-V108 HydrophobicContact CE3-CB 4.36Å; W52-V108 HydrophobicContact CE3-CG1 4.16Å; W52-V108 HydrophobicContact CE3-CG2 3.83Å; W52-V108 HydrophobicContact CH2-CG1 4.29Å; W52-V108 HydrophobicContact CZ3-CB 4.42Å; W52-V108 HydrophobicContact CZ3-CG1 3.73Å; W52-V108 HydrophobicContact CZ3-CG2 4.25Å; W52-V123 HydrophobicContact CH2-CG1 4.04Å; W52-V123 HydrophobicContact CZ2-CG1 3.77Å; W52-V125 PolarHBondContact N-O 3.37Å; W52-I126 HydrophobicContact CB-CG1 3.92Å; W52-I126 WeakPolarHBondContact O-CA 3.47Å |
| 53 | L | 91 | Very high | 88.6 | Confident | 54 Ų | 54 | 84.3 Ų | 84.3 | 28% | 0.283 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 130.3 | 170.6 | -70.4 | 173.2 | 0 | 0 | 0 | 109.5 | L13 I17 R128 | L13-L53 HydrophobicContact CD2-CD1 4.38Å; L13-L53 HydrophobicContact CD2-CD2 4.38Å; I17-L53 HydrophobicContact CD1-CD1 3.87Å; L53-R128 HydrophobicContact CD2-CB 3.67Å |
| 54 | M | 92.7 | Very high | 88.2 | Confident | 50 Ų | 50 | 90 Ų | 90 | 25% | 0.246 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 140.1 | 171.8 | 179.8 | 166.5 | 69.4 | 0 | 0 | 110.2 | L102 M106 I126 R128 K129 L130 | M54-L102 HydrophobicContact CE-CD1 4.39Å; M54-L102 HydrophobicContact CE-CD2 3.74Å; M54-M106 HydrophobicContact CE-SD 4.39Å; M54-M106 HydrophobicContact SD-SD 4.31Å; M54-I126 HydrophobicContact CB-CD1 4.44Å; M54-I126 HydrophobicContact CB-CG2 3.79Å; M54-R128 PolarHBondContact N-O 2.89Å; M54-K129 HydrophobicContact CB-CB 3.94Å; M54-K129 HydrophobicContact CE-CB 3.89Å; M54-K129 HydrophobicContact CE-CD 3.79Å; M54-K129 HydrophobicContact CE-CG 4.44Å; M54-K129 HydrophobicContact CG-CB 4.41Å; M54-K129 CarbonylContact O-C 3.6Å; M54-K129 WeakPolarHBondContact O-CA 3.44Å; M54-K129 WeakPolarHBondContact O-CB 3.29Å; M54-L130 PolarHBondContact O-N 3.32Å |
| 55 | I | 93.7 | Very high | 88.1 | Confident | 61 Ų | 61 | 92.7 Ų | 92.7 | 31% | 0.313 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125 | 170.7 | -61.7 | -179.6 | 0 | 0 | 0 | 107.9 | L22 L57 L130 F132 | L22-I55 HydrophobicContact CD1-CD1 3.6Å; I55-L57 HydrophobicContact CG2-CD2 3.61Å; I55-L57 HydrophobicContact CG2-CG 3.96Å; I55-L130 HydrophobicContact CG1-CB 4.41Å; I55-L130 HydrophobicContact CG1-CD1 4.19Å; I55-L130 HydrophobicContact CG1-CG 4.49Å; I55-F132 HydrophobicContact CG2-CD2 4.16Å; I55-F132 HydrophobicContact CG2-CE2 3.99Å |
| 56 | E | 94.8 | Very high | 87.9 | Confident | 76 Ų | 76 | 97 Ų | 97 | 36% | 0.355 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 115.9 | 177.3 | -175.9 | 177.6 | 137.5 | 0 | 0 | 109.2 | K129 L130 L131 F132 | E56-K129 HydrophobicContact CB-CD 4.47Å; E56-K129 IonicContact OE1-NZ 2.78Å; E56-K129 VanDerWaalsContact OE2-CD 3.24Å; E56-K129 WeakPolarHBondContact OE2-CD 3.48Å; E56-K129 WeakPolarHBondContact OE2-CE 3.04Å; E56-K129 IonicContact OE2-NZ 3.56Å; E56-K129 PolarHBondContact OE2-NZ 2.58Å; E56-L130 PolarHBondContact N-O 3Å; E56-L131 HydrophobicContact CB-CD1 4.2Å; E56-L131 HydrophobicContact CG-CD1 4Å; E56-L131 WeakPolarHBondContact OE1-CD1 3.3Å; E56-F132 WeakPolarHBondContact O-CB 3.35Å; E56-F132 PolarHBondContact O-N 3.42Å |
| 57 | L | 93.1 | Very high | 88 | Confident | 51 Ų | 51 | 89.9 Ų | 89.9 | 27% | 0.267 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 148 | -174.7 | -57.4 | 178.7 | 0 | 0 | 0 | 111.2 | I55 V61 L88 I90 L95 F132 | I55-L57 HydrophobicContact CG2-CD2 3.61Å; I55-L57 HydrophobicContact CG2-CG 3.96Å; L57-V61 HydrophobicContact CD1-CG2 3.65Å; L57-L88 HydrophobicContact CD2-CD2 3.56Å; L57-I90 HydrophobicContact CD1-CD1 4.39Å; L57-L95 HydrophobicContact CD2-CD2 4.27Å; L57-F132 HydrophobicContact CD2-CB 4.25Å; L57-F132 HydrophobicContact CD2-CD2 3.76Å; L57-F132 HydrophobicContact CD2-CE2 4.41Å; L57-F132 HydrophobicContact CD2-CG 4.18Å |
| 58 | Q | 89 | Confident | 88 | Confident | 75 Ų | 75 | 91.9 Ų | 91.9 | 35% | 0.35 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -86.4 | 125.2 | 167.6 | -169.2 | -74.7 | -44.2 | 0 | 0 | 109.8 | F132 | Q58-F132 VanDerWaalsContact CB-O 3.3Å; Q58-F132 WeakPolarHBondContact CB-O 3.49Å; Q58-F132 PolarHBondContact N-O 3.01Å; Q58-F132 VanDerWaalsContact N-O 3.16Å |
| 59 | G | 87.4 | Confident | 88 | Confident | 44 Ų | 44 | 85.2 Ų | 85.2 | 45% | 0.454 | 46% | 0.455 | S | S | . | . | S | Bend | trans | 87.1 | -169.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 60 | D | 87.2 | Confident | 88 | Confident | 145 Ų | 145 | 87.4 Ų | 87.4 | 78% | 0.775 | 46% | 0.462 | S | S | * | . | trans | -98.8 | 140.2 | -177.4 | -55.9 | -58.1 | 0 | 0 | 0 | 111.2 | L62 | D60-L62 HydrophobicContact CB-CD2 4.12Å; D60-L62 HydrophobicContact CB-CG 4.07Å | ||
| 61 | V | 87.2 | Confident | 87.8 | Confident | 50 Ų | 50 | 84.5 Ų | 84.5 | 30% | 0.303 | 46% | 0.457 | S | S | . | . | trans | -87.7 | 119.1 | 165.6 | -178.6 | 0 | 0 | 0 | 0 | 107 | I24 L57 L69 L74 | I24-V61 HydrophobicContact CD1-CG1 4.36Å; L57-V61 HydrophobicContact CD1-CG2 3.65Å; V61-L69 HydrophobicContact CB-CD1 4.14Å; V61-L69 HydrophobicContact CG1-CD1 3.82Å; V61-L69 HydrophobicContact CG1-CD2 4.2Å; V61-L69 WeakPolarHBondContact O-CD1 3.18Å; V61-L74 HydrophobicContact CG1-CD1 3.68Å; V61-L74 HydrophobicContact CG2-CD1 4.04Å | ||
| 62 | L | 84.7 | Confident | 87.7 | Confident | 144 Ų | 144 | 83 Ų | 83 | 75% | 0.754 | 45% | 0.449 | S | S | * | . | trans | -123.6 | 141 | -177.1 | -60.6 | 175.2 | 0 | 0 | 0 | 110 | D60 | D60-L62 HydrophobicContact CB-CD2 4.12Å; D60-L62 HydrophobicContact CB-CG 4.07Å | ||
| 63 | S | 84.1 | Confident | 87.6 | Confident | 21 Ų | 21 | 82 Ų | 82 | 15% | 0.147 | 45% | 0.451 | C | S | . | . | trans | -85.5 | 140.7 | 171.2 | 94.9 | 0 | 0 | 0 | 0 | 109.7 | T65 D66 S67 | S63-T65 PolarHBondContact O-N 3.01Å; S63-D66 PolarHBondContact O-N 2.63Å; S63-D66 WeakPolarHBondContact OG-CA 3.39Å; S63-D66 PolarHBondContact OG-N 2.84Å; S63-D66 VanDerWaalsContact OG-N 3.07Å; S63-S67 VanDerWaalsContact CB-O 3.31Å; S63-S67 WeakPolarHBondContact CB-O 3.47Å; S63-S67 PolarHBondContact OG-N 2.9Å; S63-S67 PolarHBondContact OG-O 2.99Å; S63-S67 PolarHBondContact OG-OG 3.22Å | ||
| 64 | K | 80.3 | Confident | 87.5 | Confident | 203 Ų | 203 | 80.7 Ų | 80.7 | 88% | 0.883 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -28 | -179.1 | -69.7 | -174.9 | -179.6 | 177.5 | 0 | 113.3 | ||
| 65 | T | 84.9 | Confident | 87.5 | Confident | 108 Ų | 108 | 78.5 Ų | 78.5 | 66% | 0.663 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | 13.9 | -174.8 | 50.4 | 0 | 0 | 0 | 0 | 112.2 | S63 S67 | S63-T65 PolarHBondContact O-N 3.01Å; T65-S67 PolarHBondContact O-N 2.95Å; T65-S67 PolarHBondContact OG1-OG 2.92Å |
| 66 | D | 81.5 | Confident | 87.5 | Confident | 155 Ų | 155 | 77.9 Ų | 77.9 | 83% | 0.829 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 54.8 | 4 | -176.4 | -154.8 | 32 | 0 | 0 | 0 | 116.3 | S63 | S63-D66 PolarHBondContact O-N 2.63Å; S63-D66 WeakPolarHBondContact OG-CA 3.39Å; S63-D66 PolarHBondContact OG-N 2.84Å; S63-D66 VanDerWaalsContact OG-N 3.07Å |
| 67 | S | 86.3 | Confident | 87.5 | Confident | 38 Ų | 38 | 74.6 Ų | 74.6 | 27% | 0.266 | 42% | 0.417 | S | S | . | . | trans | -63.7 | 158 | 171.1 | 48.1 | 0 | 0 | 0 | 0 | 112.8 | S63 T65 K72 | S63-S67 VanDerWaalsContact CB-O 3.31Å; S63-S67 WeakPolarHBondContact CB-O 3.47Å; S63-S67 PolarHBondContact OG-N 2.9Å; S63-S67 PolarHBondContact OG-O 2.99Å; S63-S67 PolarHBondContact OG-OG 3.22Å; T65-S67 PolarHBondContact O-N 2.95Å; T65-S67 PolarHBondContact OG1-OG 2.92Å; S67-K72 PolarHBondContact OG-NZ 2.81Å | ||
| 68 | P | 87 | Confident | 87.5 | Confident | 100 Ų | 100 | 75.4 Ų | 75.4 | 65% | 0.649 | 42% | 0.419 | S | S | * | . | trans | -49.9 | 147.9 | 175.8 | -27.8 | 35.3 | 0 | 0 | 0 | 113 | K72 | P68-K72 WeakPolarHBondContact O-CD 3.46Å; P68-K72 WeakPolarHBondContact O-CE 3.5Å; P68-K72 PolarHBondContact O-NZ 2.84Å | ||
| 69 | L | 86.4 | Confident | 87.7 | Confident | 51 Ų | 51 | 73.5 Ų | 73.5 | 27% | 0.267 | 41% | 0.41 | S | S | . | . | trans | -86.7 | -19 | 178.5 | -74.5 | 177.3 | 0 | 0 | 0 | 113.1 | I24 V61 K72 | I24-L69 WeakPolarHBondContact CB-O 3.25Å; I24-L69 HydrophobicContact CD1-CB 3.75Å; I24-L69 HydrophobicContact CD1-CD1 4.29Å; I24-L69 HydrophobicContact CD1-CD2 4.15Å; I24-L69 HydrophobicContact CD1-CG 4.29Å; I24-L69 HydrophobicContact CG2-CB 4.2Å; V61-L69 HydrophobicContact CB-CD1 4.14Å; V61-L69 HydrophobicContact CG1-CD1 3.82Å; V61-L69 HydrophobicContact CG1-CD2 4.2Å; V61-L69 WeakPolarHBondContact O-CD1 3.18Å; L69-K72 VanDerWaalsContact O-CB 3.24Å; L69-K72 WeakPolarHBondContact O-CB 3.37Å; L69-K72 PolarHBondContact O-N 2.83Å; L69-K72 VanDerWaalsContact O-N 3.09Å | ||
| 70 | E | 86.6 | Confident | 87.8 | Confident | 103 Ų | 103 | 72.8 Ų | 72.8 | 48% | 0.481 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 137.8 | 178.2 | -168.5 | -164.7 | 148.6 | 0 | 0 | 112 | I24 E26 K72 | I24-E70 CarbonylContact O-C 3.59Å; E26-E70 HydrophobicContact CG-CG 3.78Å; E26-E70 WeakPolarHBondContact CG-OE1 3.5Å; E70-K72 PolarHBondContact O-N 3.5Å; E70-K72 VanDerWaalsContact O-N 3.11Å |
| 71 | G | 85.6 | Confident | 87.7 | Confident | 46 Ų | 46 | 74.5 Ų | 74.5 | 47% | 0.474 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | -1.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E23 I24 | E23-G71 WeakPolarHBondContact OE1-CA 3.32Å; I24-G71 PolarHBondContact O-N 2.85Å |
| 72 | K | 87.1 | Confident | 87.7 | Confident | 70 Ų | 70 | 80.2 Ų | 80.2 | 30% | 0.304 | 43% | 0.425 | S | S | . | . | trans | -86.6 | 144.9 | 178.7 | -61.3 | -169.4 | 176.9 | 168.1 | 0 | 111 | I24 S67 P68 L69 E70 L74 | I24-K72 PolarHBondContact N-O 3.11Å; S67-K72 PolarHBondContact OG-NZ 2.81Å; P68-K72 WeakPolarHBondContact O-CD 3.46Å; P68-K72 WeakPolarHBondContact O-CE 3.5Å; P68-K72 PolarHBondContact O-NZ 2.84Å; L69-K72 VanDerWaalsContact O-CB 3.24Å; L69-K72 WeakPolarHBondContact O-CB 3.37Å; L69-K72 PolarHBondContact O-N 2.83Å; L69-K72 VanDerWaalsContact O-N 3.09Å; E70-K72 PolarHBondContact O-N 3.5Å; E70-K72 VanDerWaalsContact O-N 3.11Å; K72-L74 PolarHBondContact O-N 3.31Å | ||
| 73 | N | 88.3 | Confident | 87.9 | Confident | 78 Ų | 78 | 77.2 Ų | 77.2 | 42% | 0.417 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 117 | 166.7 | 178.3 | -121.3 | 0 | 0 | 0 | 109.6 | K21 L22 G75 | K21-N73 WeakPolarHBondContact CE-ND2 3.46Å; K21-N73 WeakPolarHBondContact CG-ND2 3.29Å; L22-N73 WeakPolarHBondContact O-CA 3.4Å; L22-N73 PolarHBondContact O-ND2 2.9Å; N73-G75 PolarHBondContact ND2-O 2.8Å |
| 74 | L | 90.3 | Very high | 88.1 | Confident | 26 Ų | 26 | 76.8 Ų | 76.8 | 14% | 0.136 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | -42.1 | 172.5 | 179.6 | 61.9 | 0 | 0 | 0 | 110 | L22 I24 V61 K72 I90 | L22-L74 HydrophobicContact CB-CB 4.14Å; L22-L74 HydrophobicContact CB-CD2 4.46Å; L22-L74 HydrophobicContact CD1-CD2 4.28Å; L22-L74 PolarHBondContact O-N 3.37Å; I24-L74 HydrophobicContact CD1-CB 4.16Å; I24-L74 HydrophobicContact CD1-CD1 3.96Å; I24-L74 HydrophobicContact CG1-CB 3.81Å; I24-L74 HydrophobicContact CG1-CD1 4.36Å; I24-L74 HydrophobicContact CG1-CG 4.5Å; V61-L74 HydrophobicContact CG1-CD1 3.68Å; V61-L74 HydrophobicContact CG2-CD1 4.04Å; K72-L74 PolarHBondContact O-N 3.31Å; L74-I90 HydrophobicContact CD1-CD1 3.91Å; L74-I90 HydrophobicContact CD1-CG1 4.44Å; L74-I90 HydrophobicContact CG-CD1 4.17Å; L74-I90 HydrophobicContact CG-CG1 4.41Å; L74-I90 WeakPolarHBondContact O-CG2 3.24Å |
| 75 | G | 92.3 | Very high | 88.7 | Confident | 4 Ų | 4 | 68.8 Ų | 68.8 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.7 | -155 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L22 N73 F89 | L22-G75 PolarHBondContact N-O 2.93Å; N73-G75 PolarHBondContact ND2-O 2.8Å; G75-F89 CarbonylContact C-O 3.54Å; G75-F89 WeakPolarHBondContact CA-O 3.37Å |
| 76 | D | 93.1 | Very high | 89.3 | Confident | 48 Ų | 48 | 63.6 Ų | 63.6 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 120.9 | -169.4 | -66.8 | -56.3 | 0 | 0 | 0 | 110.9 | Y19 L88 F89 | Y19-D76 HydrophobicContact CE2-CB 3.81Å; Y19-D76 VanDerWaalsContact CE2-OD1 3.25Å; Y19-D76 WeakPolarHBondContact CE2-OD1 3.37Å; Y19-D76 PolarHBondContact OH-OD1 3.31Å; D76-L88 WeakPolarHBondContact O-CA 3.27Å; D76-F89 HydrophobicContact CB-CB 4.35Å; D76-F89 PolarHBondContact N-O 3.17Å; D76-F89 PolarHBondContact O-N 3.09Å |
| 77 | L | 95 | Very high | 89.9 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.7 | 176.2 | 179.7 | 66.3 | 0 | 0 | 0 | 110 | Y19 R20 L22 F79 P86 L88 L130 F132 | Y19-L77 WeakPolarHBondContact CA-O 3.2Å; R20-L77 PolarHBondContact N-O 3.37Å; R20-L77 PolarHBondContact O-N 3.44Å; L22-L77 HydrophobicContact CD1-CB 4.03Å; L22-L77 HydrophobicContact CD1-CD2 4.49Å; L22-L77 HydrophobicContact CG-CB 4.16Å; L77-F79 HydrophobicContact CD1-CE2 4.43Å; L77-F79 HydrophobicContact CD2-CE2 3.89Å; L77-F79 HydrophobicContact CD2-CZ 4.35Å; L77-F79 HydrophobicContact CG-CE2 3.94Å; L77-P86 HydrophobicContact CD1-CB 3.94Å; L77-L88 HydrophobicContact CB-CD1 4.15Å; L77-L88 HydrophobicContact CD1-CB 4.24Å; L77-L88 HydrophobicContact CD1-CD1 4.42Å; L77-L130 HydrophobicContact CD1-CD1 4.14Å; L77-L130 HydrophobicContact CD2-CD1 3.56Å; L77-L130 HydrophobicContact CG-CD1 4.49Å; L77-F132 HydrophobicContact CD1-CZ 3.92Å |
| 78 | H | 93.6 | Very high | 90.3 | Very high | 67 Ų | 67 | 56.1 Ų | 56.1 | 31% | 0.31 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 163 | 174.8 | -65.1 | -102.6 | 0 | 0 | 0 | 110.3 | Y19 P86 I87 F89 | Y19-H78 AromaticContact CD2-CE1 3.26Å; Y19-H78 WeakPolarHBondContact CD2-CE1 3.24Å; Y19-H78 AromaticContact CD2-ND1 3.86Å; Y19-H78 AromaticContact CD2-NE2 3.37Å; Y19-H78 WeakPolarHBondContact CD2-NE2 3.35Å; Y19-H78 AromaticContact CE2-CE1 3.9Å; Y19-H78 AromaticContact CE2-NE2 3.66Å; H78-P86 CarbonylContact O-C 3.52Å; H78-P86 WeakPolarHBondContact O-CA 3.43Å; H78-I87 HydrophobicContact CB-CB 4.48Å; H78-I87 PolarHBondContact N-O 2.88Å; H78-I87 PolarHBondContact O-N 2.94Å; H78-F89 AromaticContact CD2-CD2 3.7Å; H78-F89 AromaticContact CD2-CE2 3.74Å |
| 79 | F | 92.9 | Very high | 90.6 | Very high | 35 Ų | 35 | 54.6 Ų | 54.6 | 15% | 0.154 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132.5 | 171.2 | -73.8 | -102.1 | 0 | 0 | 0 | 109.2 | I17 L77 Q81 G84 D85 P86 V99 L130 | I17-F79 HydrophobicContact CB-CD2 4.27Å; I17-F79 HydrophobicContact CB-CE2 3.98Å; I17-F79 HydrophobicContact CB-CZ 4.44Å; I17-F79 HydrophobicContact CD1-CE2 4.49Å; I17-F79 HydrophobicContact CD1-CZ 4.12Å; I17-F79 HydrophobicContact CG2-CD2 3.88Å; I17-F79 HydrophobicContact CG2-CE2 3.26Å; I17-F79 HydrophobicContact CG2-CZ 3.92Å; L77-F79 HydrophobicContact CD1-CE2 4.43Å; L77-F79 HydrophobicContact CD2-CE2 3.89Å; L77-F79 HydrophobicContact CD2-CZ 4.35Å; L77-F79 HydrophobicContact CG-CE2 3.94Å; F79-Q81 PolarHBondContact O-N 2.83Å; F79-G84 WeakPolarHBondContact CD1-O 3.49Å; F79-D85 WeakPolarHBondContact CA-O 3.44Å; F79-P86 HydrophobicContact CD1-CB 4.33Å; F79-P86 HydrophobicContact CE1-CB 3.93Å; F79-P86 HydrophobicContact CZ-CB 4.1Å; F79-V99 HydrophobicContact CE1-CG2 4.03Å; F79-L130 HydrophobicContact CE1-CD2 4.24Å; F79-L130 HydrophobicContact CZ-CD1 4.08Å; F79-L130 HydrophobicContact CZ-CD2 4.05Å |
| 80 | S | 88.5 | Confident | 90.9 | Very high | 29 Ų | 29 | 54 Ų | 54 | 20% | 0.203 | 28% | 0.28 | C | S | . | . | trans | -64.8 | 129 | 175.9 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | E82 N83 G84 D85 | S80-E82 PolarHBondContact O-N 3.47Å; S80-E82 PolarHBondContact OG-N 3.41Å; S80-N83 VanDerWaalsContact CB-OD1 3.25Å; S80-N83 WeakPolarHBondContact CB-OD1 3.09Å; S80-N83 PolarHBondContact OG-OD1 2.96Å; S80-G84 VanDerWaalsContact O-CA 3.22Å; S80-G84 WeakPolarHBondContact O-CA 3.06Å; S80-G84 PolarHBondContact O-N 3.3Å; S80-D85 PolarHBondContact N-O 2.74Å | ||
| 81 | Q | 85.3 | Confident | 91 | Very high | 181 Ų | 181 | 52.4 Ų | 52.4 | 85% | 0.846 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -26.6 | 175.4 | -65.2 | -174.4 | -0.3 | 0 | 0 | 112.4 | Y6 F79 | Y6-Q81 PolarHBondContact OH-O 3.5Å; F79-Q81 PolarHBondContact O-N 2.83Å |
| 82 | E | 87.8 | Confident | 91.2 | Very high | 171 Ų | 171 | 57.1 Ų | 57.1 | 80% | 0.799 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -43.4 | -177.1 | -174.9 | -177.5 | 168.8 | 0 | 0 | 112 | S80 | S80-E82 PolarHBondContact O-N 3.47Å; S80-E82 PolarHBondContact OG-N 3.41Å |
| 83 | N | 88.6 | Confident | 91.4 | Very high | 80 Ų | 80 | 58 Ų | 58 | 43% | 0.428 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139 | 0.2 | -169.2 | 66.4 | 7.9 | 0 | 0 | 0 | 115.1 | S80 D85 | S80-N83 VanDerWaalsContact CB-OD1 3.25Å; S80-N83 WeakPolarHBondContact CB-OD1 3.09Å; S80-N83 PolarHBondContact OG-OD1 2.96Å; N83-D85 VanDerWaalsContact CG-CG 3.45Å; N83-D85 VanDerWaalsContact CG-OD2 3.29Å; N83-D85 PolarHBondContact ND2-OD2 2.87Å; N83-D85 PolarHBondContact O-N 3.16Å; N83-D85 WeakPolarHBondContact OD1-CB 3.06Å; N83-D85 VanDerWaalsContact OD1-CG 3.22Å; N83-D85 PolarHBondContact OD1-N 2.86Å; N83-D85 PolarHBondContact OD1-OD2 2.92Å |
| 84 | G | 89.2 | Confident | 91.7 | Very high | 13 Ų | 13 | 55.1 Ų | 55.1 | 13% | 0.134 | 29% | 0.291 | C | S | . | . | trans | 71.8 | 13 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | F79 S80 | F79-G84 WeakPolarHBondContact CD1-O 3.49Å; S80-G84 VanDerWaalsContact O-CA 3.22Å; S80-G84 WeakPolarHBondContact O-CA 3.06Å; S80-G84 PolarHBondContact O-N 3.3Å | ||
| 85 | D | 93.6 | Very high | 92 | Very high | 34 Ų | 34 | 54 Ų | 54 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | trans | -73.8 | 138.9 | 178 | -70.9 | -22.3 | 0 | 0 | 0 | 111.4 | F79 S80 N83 K98 | F79-D85 WeakPolarHBondContact CA-O 3.44Å; S80-D85 PolarHBondContact N-O 2.74Å; N83-D85 VanDerWaalsContact CG-CG 3.45Å; N83-D85 VanDerWaalsContact CG-OD2 3.29Å; N83-D85 PolarHBondContact ND2-OD2 2.87Å; N83-D85 PolarHBondContact O-N 3.16Å; N83-D85 WeakPolarHBondContact OD1-CB 3.06Å; N83-D85 VanDerWaalsContact OD1-CG 3.22Å; N83-D85 PolarHBondContact OD1-N 2.86Å; N83-D85 PolarHBondContact OD1-OD2 2.92Å; D85-K98 WeakPolarHBondContact OD1-CD 3.49Å; D85-K98 WeakPolarHBondContact OD1-CE 3.12Å; D85-K98 IonicContact OD1-NZ 2.58Å; D85-K98 PolarHBondContact OD1-NZ 2.85Å; D85-K98 WeakPolarHBondContact OD2-CE 3.18Å; D85-K98 IonicContact OD2-NZ 2.64Å; D85-K98 PolarHBondContact OD2-NZ 2.81Å | ||
| 86 | P | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 137.6 | 176.4 | 31 | -36 | 0 | 0 | 0 | 111.7 | L77 H78 F79 G97 V99 L130 F132 | L77-P86 HydrophobicContact CD1-CB 3.94Å; H78-P86 CarbonylContact O-C 3.52Å; H78-P86 WeakPolarHBondContact O-CA 3.43Å; F79-P86 HydrophobicContact CD1-CB 4.33Å; F79-P86 HydrophobicContact CE1-CB 3.93Å; F79-P86 HydrophobicContact CZ-CB 4.1Å; P86-G97 PolarHBondContact O-N 2.88Å; P86-V99 HydrophobicContact CG-CG2 4.46Å; P86-L130 HydrophobicContact CB-CD1 4.35Å; P86-L130 HydrophobicContact CB-CD2 4.35Å; P86-L130 HydrophobicContact CG-CB 4.36Å; P86-L130 HydrophobicContact CG-CD2 4.17Å; P86-F132 HydrophobicContact CB-CE1 4.19Å; P86-F132 HydrophobicContact CB-CZ 3.82Å; P86-F132 HydrophobicContact CG-CE1 4.3Å; P86-F132 HydrophobicContact CG-CZ 4.08Å |
| 87 | I | 94.7 | Very high | 92.3 | Very high | 35 Ų | 35 | 56.3 Ų | 56.3 | 18% | 0.179 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 118.1 | 174.5 | -52.1 | 175.7 | 0 | 0 | 0 | 107 | H78 F89 V94 L95 F96 | H78-I87 HydrophobicContact CB-CB 4.48Å; H78-I87 PolarHBondContact N-O 2.88Å; H78-I87 PolarHBondContact O-N 2.94Å; I87-F89 HydrophobicContact CB-CE2 4.44Å; I87-F89 HydrophobicContact CG2-CD2 4.37Å; I87-F89 HydrophobicContact CG2-CE2 3.62Å; I87-F89 HydrophobicContact CG2-CZ 3.73Å; I87-V94 HydrophobicContact CG2-CG2 3.67Å; I87-L95 WeakPolarHBondContact CA-O 3.3Å; I87-F96 HydrophobicContact CD1-CD1 4.46Å; I87-F96 HydrophobicContact CD1-CE1 4.28Å; I87-F96 HydrophobicContact CG1-CD1 4.1Å; I87-F96 HydrophobicContact CG1-CE1 4.33Å; I87-F96 HydrophobicContact CG2-CD1 4.24Å; I87-F96 HydrophobicContact CG2-CE1 4.06Å |
| 88 | L | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127 | -177.6 | 178 | 65.5 | 0 | 0 | 0 | 110 | L22 L57 D76 L77 I90 L95 F132 | L22-L88 HydrophobicContact CD1-CD1 3.81Å; L57-L88 HydrophobicContact CD2-CD2 3.56Å; D76-L88 WeakPolarHBondContact O-CA 3.27Å; L77-L88 HydrophobicContact CB-CD1 4.15Å; L77-L88 HydrophobicContact CD1-CB 4.24Å; L77-L88 HydrophobicContact CD1-CD1 4.42Å; L88-I90 HydrophobicContact CD1-CG1 4.44Å; L88-I90 HydrophobicContact CD2-CD1 3.81Å; L88-I90 HydrophobicContact CD2-CG1 4.15Å; L88-I90 HydrophobicContact CG-CD1 4.18Å; L88-I90 HydrophobicContact CG-CG1 3.95Å; L88-L95 HydrophobicContact CB-CB 4.34Å; L88-L95 PolarHBondContact N-O 2.92Å; L88-L95 WeakPolarHBondContact O-CD1 3.34Å; L88-L95 PolarHBondContact O-N 3.11Å; L88-F132 HydrophobicContact CB-CD1 4.24Å; L88-F132 HydrophobicContact CB-CE1 3.51Å; L88-F132 HydrophobicContact CB-CE2 4.38Å; L88-F132 HydrophobicContact CB-CZ 3.59Å; L88-F132 HydrophobicContact CD2-CE2 4.21Å; L88-F132 HydrophobicContact CD2-CZ 4.22Å |
| 89 | F | 94 | Very high | 92.3 | Very high | 69 Ų | 69 | 59.4 Ų | 59.4 | 30% | 0.303 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 123.6 | 174.8 | -62 | -89 | 0 | 0 | 0 | 109.4 | G75 D76 H78 I87 H93 V94 I139 | G75-F89 CarbonylContact C-O 3.54Å; G75-F89 WeakPolarHBondContact CA-O 3.37Å; D76-F89 HydrophobicContact CB-CB 4.35Å; D76-F89 PolarHBondContact N-O 3.17Å; D76-F89 PolarHBondContact O-N 3.09Å; H78-F89 AromaticContact CD2-CD2 3.7Å; H78-F89 AromaticContact CD2-CE2 3.74Å; I87-F89 HydrophobicContact CB-CE2 4.44Å; I87-F89 HydrophobicContact CG2-CD2 4.37Å; I87-F89 HydrophobicContact CG2-CE2 3.62Å; I87-F89 HydrophobicContact CG2-CZ 3.73Å; F89-H93 WeakPolarHBondContact CA-O 3.48Å; F89-V94 HydrophobicContact CD1-CB 4.02Å; F89-V94 HydrophobicContact CD1-CG2 4Å; F89-V94 HydrophobicContact CE1-CB 3.95Å; F89-V94 HydrophobicContact CE1-CG2 3.64Å; F89-V94 HydrophobicContact CZ-CG2 4.07Å; F89-I139 HydrophobicContact CD1-CD1 3.73Å; F89-I139 HydrophobicContact CE1-CD1 4.21Å |
| 90 | I | 92.3 | Very high | 92.5 | Very high | 37 Ų | 37 | 60.1 Ų | 60.1 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 103.5 | 176.8 | -59.2 | 178.4 | 0 | 0 | 0 | 107.7 | L57 L74 L88 H92 H93 L95 | L57-I90 HydrophobicContact CD1-CD1 4.39Å; L74-I90 HydrophobicContact CD1-CD1 3.91Å; L74-I90 HydrophobicContact CD1-CG1 4.44Å; L74-I90 HydrophobicContact CG-CD1 4.17Å; L74-I90 HydrophobicContact CG-CG1 4.41Å; L74-I90 WeakPolarHBondContact O-CG2 3.24Å; L88-I90 HydrophobicContact CD1-CG1 4.44Å; L88-I90 HydrophobicContact CD2-CD1 3.81Å; L88-I90 HydrophobicContact CD2-CG1 4.15Å; L88-I90 HydrophobicContact CG-CD1 4.18Å; L88-I90 HydrophobicContact CG-CG1 3.95Å; I90-H92 PolarHBondContact O-N 3.17Å; I90-H93 PolarHBondContact N-O 3.39Å; I90-H93 WeakPolarHBondContact O-CB 3.47Å; I90-H93 PolarHBondContact O-N 2.98Å; I90-L95 HydrophobicContact CB-CD1 4.37Å; I90-L95 HydrophobicContact CD1-CD1 3.99Å; I90-L95 HydrophobicContact CG1-CD1 4.09Å |
| 91 | G | 88 | Confident | 92.8 | Very high | 71 Ų | 71 | 62.1 Ų | 62.1 | 73% | 0.732 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | -122.2 | -173 | 0 | 0 | 0 | 0 | 0 | 111.6 | H93 | G91-H93 VanDerWaalsContact C-N 3.3Š|
| 92 | H | 89.9 | Confident | 93.3 | Very high | 144 Ų | 144 | 55 Ų | 55 | 67% | 0.667 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 15.6 | 177.6 | -54.9 | 128.7 | 0 | 0 | 0 | 113.9 | I90 I139 | I90-H92 PolarHBondContact O-N 3.17Å; H92-I139 PolarHBondContact O-N 2.94Å |
| 93 | H | 92.3 | Very high | 93.7 | Very high | 90 Ų | 90 | 56.4 Ų | 56.4 | 42% | 0.417 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 143.6 | 178.8 | -59.5 | 103.8 | 0 | 0 | 0 | 111.3 | F89 I90 G91 P136 K137 | F89-H93 WeakPolarHBondContact CA-O 3.48Å; I90-H93 PolarHBondContact N-O 3.39Å; I90-H93 WeakPolarHBondContact O-CB 3.47Å; I90-H93 PolarHBondContact O-N 2.98Å; G91-H93 VanDerWaalsContact C-N 3.3Å; H93-P136 HydrophobicContact CB-CB 3.89Å; H93-K137 CarbonylContact C-O 3.57Å; H93-K137 VanDerWaalsContact CA-O 3.29Å; H93-K137 WeakPolarHBondContact CA-O 3.39Å |
| 94 | V | 94.7 | Very high | 94 | Very high | 16 Ų | 16 | 60.8 Ų | 60.8 | 10% | 0.097 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 134.5 | 168.2 | 61.5 | 0 | 0 | 0 | 0 | 109.6 | I87 F89 F96 K137 I139 | I87-V94 HydrophobicContact CG2-CG2 3.67Å; F89-V94 HydrophobicContact CD1-CB 4.02Å; F89-V94 HydrophobicContact CD1-CG2 4Å; F89-V94 HydrophobicContact CE1-CB 3.95Å; F89-V94 HydrophobicContact CE1-CG2 3.64Å; F89-V94 HydrophobicContact CZ-CG2 4.07Å; V94-F96 HydrophobicContact CB-CE2 4.49Å; V94-F96 HydrophobicContact CG1-CE2 3.84Å; V94-F96 HydrophobicContact CG1-CZ 4.2Å; V94-F96 HydrophobicContact CG2-CD2 4.46Å; V94-F96 HydrophobicContact CG2-CE1 4.23Å; V94-F96 HydrophobicContact CG2-CE2 3.87Å; V94-F96 HydrophobicContact CG2-CZ 3.74Å; V94-K137 HydrophobicContact CG1-CB 3.99Å; V94-K137 PolarHBondContact N-O 3.09Å; V94-K137 PolarHBondContact O-N 3.21Å; V94-I139 HydrophobicContact CB-CD1 4.27Å; V94-I139 HydrophobicContact CB-CG1 4.02Å; V94-I139 HydrophobicContact CG1-CG1 4.03Å |
| 95 | L | 95.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.3 | 176 | -58.7 | 86.6 | 0 | 0 | 0 | 108.4 | L57 I87 L88 I90 F132 P136 | L57-L95 HydrophobicContact CD2-CD2 4.27Å; I87-L95 WeakPolarHBondContact CA-O 3.3Å; L88-L95 HydrophobicContact CB-CB 4.34Å; L88-L95 PolarHBondContact N-O 2.92Å; L88-L95 WeakPolarHBondContact O-CD1 3.34Å; L88-L95 PolarHBondContact O-N 3.11Å; I90-L95 HydrophobicContact CB-CD1 4.37Å; I90-L95 HydrophobicContact CD1-CD1 3.99Å; I90-L95 HydrophobicContact CG1-CD1 4.09Å; L95-F132 HydrophobicContact CB-CB 4.32Å; L95-F132 HydrophobicContact CB-CD1 3.66Å; L95-F132 HydrophobicContact CB-CE1 4.35Å; L95-F132 HydrophobicContact CB-CG 4.27Å; L95-F132 HydrophobicContact CD2-CB 4.16Å; L95-P136 HydrophobicContact CD1-CB 4.38Å; L95-P136 HydrophobicContact CD2-CG 3.98Å; L95-P136 HydrophobicContact CG-CB 4.12Å; L95-P136 HydrophobicContact CG-CG 4.13Å |
| 96 | F | 94.9 | Very high | 94.2 | Very high | 94 Ų | 94 | 66.7 Ų | 66.7 | 41% | 0.412 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 124 | 175.2 | -61.3 | -84.4 | 0 | 0 | 0 | 108.8 | I87 V94 T134 K137 | I87-F96 HydrophobicContact CD1-CD1 4.46Å; I87-F96 HydrophobicContact CD1-CE1 4.28Å; I87-F96 HydrophobicContact CG1-CD1 4.1Å; I87-F96 HydrophobicContact CG1-CE1 4.33Å; I87-F96 HydrophobicContact CG2-CD1 4.24Å; I87-F96 HydrophobicContact CG2-CE1 4.06Å; V94-F96 HydrophobicContact CB-CE2 4.49Å; V94-F96 HydrophobicContact CG1-CE2 3.84Å; V94-F96 HydrophobicContact CG1-CZ 4.2Å; V94-F96 HydrophobicContact CG2-CD2 4.46Å; V94-F96 HydrophobicContact CG2-CE1 4.23Å; V94-F96 HydrophobicContact CG2-CE2 3.87Å; V94-F96 HydrophobicContact CG2-CZ 3.74Å; F96-T134 PolarHBondContact O-OG1 3Å; F96-K137 HydrophobicContact CE2-CD 4.3Å |
| 97 | G | 96 | Very high | 94 | Very high | 6 Ų | 6 | 71.4 Ų | 71.4 | 6% | 0.062 | 38% | 0.379 | C | S | . | . | trans | -119.5 | -175.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P86 L131 | P86-G97 PolarHBondContact O-N 2.88Å; G97-L131 CarbonylContact C-O 3.48Å; G97-L131 WeakPolarHBondContact CA-O 3.27Å | ||
| 98 | K | 95.2 | Very high | 93.8 | Very high | 102 Ų | 102 | 70.6 Ų | 70.6 | 44% | 0.443 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 145.5 | 173.1 | -70.2 | -60.2 | -165.4 | 175.9 | 0 | 109.6 | D85 V100 L131 | D85-K98 WeakPolarHBondContact OD1-CD 3.49Å; D85-K98 WeakPolarHBondContact OD1-CE 3.12Å; D85-K98 IonicContact OD1-NZ 2.58Å; D85-K98 PolarHBondContact OD1-NZ 2.85Å; D85-K98 WeakPolarHBondContact OD2-CE 3.18Å; D85-K98 IonicContact OD2-NZ 2.64Å; D85-K98 PolarHBondContact OD2-NZ 2.81Å; K98-V100 HydrophobicContact CB-CG2 4.08Å; K98-L131 PolarHBondContact N-O 2.92Å; K98-L131 PolarHBondContact O-N 2.64Å |
| 99 | V | 95.3 | Very high | 93.6 | Very high | 36 Ų | 36 | 72.7 Ų | 72.7 | 22% | 0.218 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 120.6 | 168.2 | -164.1 | 0 | 0 | 0 | 0 | 109 | F79 P86 R128 K129 L130 | F79-V99 HydrophobicContact CE1-CG2 4.03Å; P86-V99 HydrophobicContact CG-CG2 4.46Å; V99-R128 HydrophobicContact CG1-CB 4.46Å; V99-K129 WeakPolarHBondContact CA-O 3.35Å; V99-L130 HydrophobicContact CB-CD2 4.37Å; V99-L130 HydrophobicContact CG1-CD2 4.13Å; V99-L130 HydrophobicContact CG2-CD2 3.8Å |
| 100 | V | 95.8 | Very high | 93.3 | Very high | 51 Ų | 51 | 75.8 Ų | 75.8 | 31% | 0.309 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.3 | -174.1 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | K98 R128 K129 L131 | K98-V100 HydrophobicContact CB-CG2 4.08Å; V100-R128 CarbonylContact O-C 3.51Å; V100-R128 VanDerWaalsContact O-CA 3.27Å; V100-R128 WeakPolarHBondContact O-CA 3.36Å; V100-K129 HydrophobicContact CB-CG 4.19Å; V100-K129 PolarHBondContact N-O 3.15Å; V100-K129 PolarHBondContact O-N 3.08Å; V100-L131 HydrophobicContact CG2-CB 4.03Å; V100-L131 HydrophobicContact CG2-CD2 4.12Å |
| 101 | A | 95.5 | Very high | 93 | Very high | 71 Ų | 71 | 79.5 Ų | 79.5 | 59% | 0.587 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 141.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 102 | L | 95 | Very high | 92.9 | Very high | 30 Ų | 30 | 77.4 Ų | 77.4 | 16% | 0.157 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 138.7 | 171.3 | -61.8 | 179.1 | 0 | 0 | 0 | 109.5 | M54 K104 M106 I126 R127 K129 | M54-L102 HydrophobicContact CE-CD1 4.39Å; M54-L102 HydrophobicContact CE-CD2 3.74Å; L102-K104 WeakPolarHBondContact CB-O 3.44Å; L102-K104 PolarHBondContact O-N 2.86Å; L102-M106 HydrophobicContact CD1-CG 4.09Å; L102-M106 HydrophobicContact CD1-SD 4.15Å; L102-I126 HydrophobicContact CD1-CB 4.36Å; L102-I126 HydrophobicContact CD1-CG2 3.66Å; L102-R127 PolarHBondContact N-O 2.84Å; L102-K129 HydrophobicContact CD2-CB 4.15Å; L102-K129 HydrophobicContact CD2-CD 3.77Å; L102-K129 HydrophobicContact CD2-CG 3.91Å |
| 103 | E | 95.6 | Very high | 92.5 | Very high | 202 Ų | 202 | 76.1 Ų | 76.1 | 94% | 0.944 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.3 | -34 | 173.5 | -65.7 | -177.2 | 175.6 | 0 | 0 | 111.6 | ||
| 104 | K | 94.7 | Very high | 92.1 | Very high | 172 Ų | 172 | 78 Ų | 78 | 75% | 0.748 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 125.6 | 173.3 | -65.1 | -178 | -177.8 | 177.3 | 0 | 109 | L102 | L102-K104 WeakPolarHBondContact CB-O 3.44Å; L102-K104 PolarHBondContact O-N 2.86Å |
| 105 | P | 93.6 | Very high | 91.3 | Very high | 75 Ų | 75 | 80.1 Ų | 80.1 | 49% | 0.487 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 148.5 | 172.8 | -24 | 34.1 | 0 | 0 | 0 | 111.6 | V125 I126 R127 | P105-V125 HydrophobicContact CB-CG2 4.12Å; P105-I126 CarbonylContact C-O 3.4Å; P105-I126 VanDerWaalsContact CA-O 3.26Å; P105-I126 WeakPolarHBondContact CA-O 3.13Å; P105-R127 HydrophobicContact CB-CG 4.38Å |
| 106 | M | 93.8 | Very high | 90.3 | Very high | 95 Ų | 95 | 83.7 Ų | 83.7 | 47% | 0.468 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 145 | 175.9 | -60.7 | 175.7 | 66.9 | 0 | 0 | 109.8 | M54 L102 V125 I126 | M54-M106 HydrophobicContact CE-SD 4.39Å; M54-M106 HydrophobicContact SD-SD 4.31Å; L102-M106 HydrophobicContact CD1-CG 4.09Å; L102-M106 HydrophobicContact CD1-SD 4.15Å; M106-V125 CarbonylContact O-C 3.59Å; M106-V125 WeakPolarHBondContact O-CA 3.21Å; M106-I126 HydrophobicContact CB-CB 4.3Å; M106-I126 PolarHBondContact N-O 3.32Å; M106-I126 PolarHBondContact O-N 2.86Å |
| 107 | L | 91.9 | Very high | 89.7 | Confident | 99 Ų | 99 | 82.3 Ų | 82.3 | 52% | 0.518 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 131.2 | 168.9 | -64.5 | 178 | 0 | 0 | 0 | 108.9 | T109 V122 V125 | L107-T109 HydrophobicContact CB-CG2 4.14Å; L107-V122 HydrophobicContact CD1-CG2 4.27Å; L107-V122 HydrophobicContact CD2-CG1 4.07Å; L107-V125 HydrophobicContact CD2-CB 4.34Å; L107-V125 HydrophobicContact CD2-CG2 4.27Å |
| 108 | V | 91.2 | Very high | 89.2 | Confident | 18 Ų | 18 | 84.5 Ų | 84.5 | 11% | 0.109 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 121.9 | 163 | -176.9 | 0 | 0 | 0 | 0 | 106.6 | Y28 W52 V123 S124 I126 | Y28-V108 HydrophobicContact CE1-CG1 4.48Å; W52-V108 HydrophobicContact CE3-CB 4.36Å; W52-V108 HydrophobicContact CE3-CG1 4.16Å; W52-V108 HydrophobicContact CE3-CG2 3.83Å; W52-V108 HydrophobicContact CH2-CG1 4.29Å; W52-V108 HydrophobicContact CZ3-CB 4.42Å; W52-V108 HydrophobicContact CZ3-CG1 3.73Å; W52-V108 HydrophobicContact CZ3-CG2 4.25Å; V108-V123 HydrophobicContact CB-CB 4.46Å; V108-V123 HydrophobicContact CG1-CB 4.23Å; V108-V123 PolarHBondContact O-N 3.09Å; V108-S124 VanDerWaalsContact CB-OG 3.29Å; V108-S124 WeakPolarHBondContact CB-OG 3.18Å; V108-S124 WeakPolarHBondContact CG2-OG 3.15Å; V108-S124 PolarHBondContact N-O 2.95Å; V108-S124 PolarHBondContact O-N 2.81Å; V108-I126 HydrophobicContact CG2-CD1 3.49Å; V108-I126 VanDerWaalsContact CG2-CD1 3.49Å; V108-I126 HydrophobicContact CG2-CG1 3.84Å |
| 109 | T | 89.6 | Confident | 88.9 | Confident | 45 Ų | 45 | 81 Ų | 81 | 28% | 0.276 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 147.7 | -179.7 | 61.2 | 0 | 0 | 0 | 0 | 110.7 | L107 D121 | L107-T109 HydrophobicContact CB-CG2 4.14Å; T109-D121 CarbonylContact C-O 3.52Å; T109-D121 VanDerWaalsContact CA-O 3.25Å; T109-D121 WeakPolarHBondContact CA-O 3.43Å |
| 110 | K | 87.7 | Confident | 88.7 | Confident | 133 Ų | 133 | 80.4 Ų | 80.4 | 58% | 0.578 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.9 | 170.7 | -175.8 | 177.4 | 179.5 | 179.6 | 0 | 108 | N112 Y120 D121 V123 | K110-N112 PolarHBondContact O-N 2.88Å; K110-Y120 CarbonylContact O-C 3.53Å; K110-Y120 VanDerWaalsContact O-CA 3.29Å; K110-Y120 WeakPolarHBondContact O-CA 3.4Å; K110-D121 PolarHBondContact N-O 2.79Å; K110-D121 PolarHBondContact O-N 2.86Å; K110-V123 HydrophobicContact CB-CG2 3.61Å |
| 111 | R | 87.4 | Confident | 88.5 | Confident | 115 Ų | 115 | 80.5 Ų | 80.5 | 43% | 0.434 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 128.7 | 171.8 | -177.5 | 179.8 | -70.3 | -168.7 | -2.8 | 108.7 | T113 L118 Y120 | R111-T113 HydrophobicContact CG-CG2 4.3Å; R111-L118 HydrophobicContact CG-CD1 4.24Å; R111-Y120 HydrophobicContact CB-CD1 4.1Å; R111-Y120 HydrophobicContact CB-CE1 3.79Å; R111-Y120 HydrophobicContact CG-CE1 4.41Å; R111-Y120 PolarHBondContact NH2-OH 2.88Å |
| 112 | N | 85.7 | Confident | 88.3 | Confident | 27 Ų | 27 | 78.3 Ų | 78.3 | 14% | 0.144 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 117.2 | 173.3 | 178.3 | -29.1 | 0 | 0 | 0 | 108.1 | K110 T114 Q119 D121 | K110-N112 PolarHBondContact O-N 2.88Å; N112-T114 VanDerWaalsContact OD1-CB 3.3Å; N112-T114 WeakPolarHBondContact OD1-CB 3.24Å; N112-T114 PolarHBondContact OD1-N 3.29Å; N112-T114 VanDerWaalsContact OD1-N 3.08Å; N112-T114 PolarHBondContact OD1-OG1 3.03Å; N112-Q119 HydrophobicContact CB-CG 3.6Å; N112-Q119 PolarHBondContact N-O 2.8Å; N112-Q119 PolarHBondContact ND2-NE2 3Å; N112-Q119 PolarHBondContact OD1-NE2 2.81Å; N112-Q119 VanDerWaalsContact OD1-NE2 3.15Å; N112-D121 WeakPolarHBondContact CB-OD2 3.38Å; N112-D121 PolarHBondContact ND2-OD1 3.37Å; N112-D121 PolarHBondContact ND2-OD2 3.41Å |
| 113 | T | 82 | Confident | 88 | Confident | 118 Ų | 118 | 78.8 Ų | 78.8 | 72% | 0.724 | 43% | 0.433 | S | S | * | . | trans | -97 | 3.5 | -172.9 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | R111 | R111-T113 HydrophobicContact CG-CG2 4.3Š| ||
| 114 | T | 83.5 | Confident | 87.9 | Confident | 128 Ų | 128 | 69.2 Ų | 69.2 | 79% | 0.785 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -37 | -169.9 | -42.9 | 0 | 0 | 0 | 0 | 112.9 | N112 | N112-T114 VanDerWaalsContact OD1-CB 3.3Å; N112-T114 WeakPolarHBondContact OD1-CB 3.24Å; N112-T114 PolarHBondContact OD1-N 3.29Å; N112-T114 VanDerWaalsContact OD1-N 3.08Å; N112-T114 PolarHBondContact OD1-OG1 3.03Å |
| 115 | S | 76.4 | Confident | 87.8 | Confident | 61 Ų | 61 | 61.5 Ų | 61.5 | 43% | 0.427 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -2.2 | -171.1 | 56.2 | 0 | 0 | 0 | 0 | 114.5 | S117 Q119 | S115-S117 WeakPolarHBondContact CB-OG 3.26Å; S115-S117 PolarHBondContact O-N 2.63Å; S115-S117 PolarHBondContact OG-O 2.79Å; S115-S117 PolarHBondContact OG-OG 3.22Å; S115-Q119 VanDerWaalsContact OG-CD 3.24Å; S115-Q119 PolarHBondContact OG-NE2 3.07Å |
| 116 | G | 76.3 | Confident | 87.8 | Confident | 80 Ų | 80 | 58.7 Ų | 58.7 | 83% | 0.825 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 65.3 | -16.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 117 | S | 81.8 | Confident | 87.9 | Confident | 64 Ų | 64 | 60 Ų | 60 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -86 | 151.4 | 171.9 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | S115 Q119 | S115-S117 WeakPolarHBondContact CB-OG 3.26Å; S115-S117 PolarHBondContact O-N 2.63Å; S115-S117 PolarHBondContact OG-O 2.79Å; S115-S117 PolarHBondContact OG-OG 3.22Å; S117-Q119 PolarHBondContact O-N 2.72Å; S117-Q119 VanDerWaalsContact O-N 3.07Å |
| 118 | L | 85.2 | Confident | 88.1 | Confident | 52 Ų | 52 | 57.6 Ų | 57.6 | 27% | 0.272 | 32% | 0.32 | S | S | . | . | trans | -74.2 | 103.2 | 177.8 | -171.9 | 66 | 0 | 0 | 0 | 110.1 | F34 M38 I40 R111 Y120 | F34-L118 HydrophobicContact CE1-CD2 4.45Å; M38-L118 HydrophobicContact CE-CB 4.24Å; M38-L118 HydrophobicContact CE-CD2 3.27Å; M38-L118 HydrophobicContact CE-CG 4.26Å; I40-L118 HydrophobicContact CD1-CD2 3.97Å; I40-L118 HydrophobicContact CG1-CD2 4.47Å; R111-L118 HydrophobicContact CG-CD1 4.24Å; L118-Y120 HydrophobicContact CD1-CE2 3.81Å; L118-Y120 HydrophobicContact CD2-CE2 4.18Å; L118-Y120 HydrophobicContact CG-CE2 3.83Å | ||
| 119 | Q | 88.6 | Confident | 88.3 | Confident | 28 Ų | 28 | 58.6 Ų | 58.6 | 13% | 0.131 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 160.4 | 172.6 | 78.4 | -169.2 | -10.9 | 0 | 0 | 110.3 | P41 H43 N112 S115 S117 | P41-Q119 HydrophobicContact CB-CB 4.18Å; P41-Q119 HydrophobicContact CG-CB 4.42Å; P41-Q119 WeakPolarHBondContact O-CA 3.39Å; H43-Q119 PolarHBondContact NE2-OE1 3.23Å; H43-Q119 VanDerWaalsContact NE2-OE1 3.09Å; N112-Q119 HydrophobicContact CB-CG 3.6Å; N112-Q119 PolarHBondContact N-O 2.8Å; N112-Q119 PolarHBondContact ND2-NE2 3Å; N112-Q119 PolarHBondContact OD1-NE2 2.81Å; N112-Q119 VanDerWaalsContact OD1-NE2 3.15Å; S115-Q119 VanDerWaalsContact OG-CD 3.24Å; S115-Q119 PolarHBondContact OG-NE2 3.07Å; S117-Q119 PolarHBondContact O-N 2.72Å; S117-Q119 VanDerWaalsContact O-N 3.07Å |
| 120 | Y | 90.8 | Very high | 88.6 | Confident | 24 Ų | 24 | 56.6 Ų | 56.6 | 9% | 0.094 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 145.4 | -179.2 | -69.6 | -97.6 | 0 | 0 | 0 | 110.8 | P31 I40 P41 I42 H43 K110 R111 L118 | P31-Y120 WeakPolarHBondContact CG-OH 3.31Å; I40-Y120 HydrophobicContact CG2-CD2 3.49Å; I40-Y120 VanDerWaalsContact CG2-CD2 3.49Å; I40-Y120 HydrophobicContact CG2-CE2 3.81Å; P41-Y120 PolarHBondContact O-N 3.36Å; I42-Y120 CarbonylContact C-O 3.55Å; I42-Y120 VanDerWaalsContact CA-O 3.27Å; I42-Y120 WeakPolarHBondContact CA-O 3.01Å; H43-Y120 PolarHBondContact N-O 3.09Å; K110-Y120 CarbonylContact O-C 3.53Å; K110-Y120 VanDerWaalsContact O-CA 3.29Å; K110-Y120 WeakPolarHBondContact O-CA 3.4Å; R111-Y120 HydrophobicContact CB-CD1 4.1Å; R111-Y120 HydrophobicContact CB-CE1 3.79Å; R111-Y120 HydrophobicContact CG-CE1 4.41Å; R111-Y120 PolarHBondContact NH2-OH 2.88Å; L118-Y120 HydrophobicContact CD1-CE2 3.81Å; L118-Y120 HydrophobicContact CD2-CE2 4.18Å; L118-Y120 HydrophobicContact CG-CE2 3.83Å |
| 121 | D | 91.1 | Very high | 89 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 138.3 | 171.2 | -54.1 | -32.9 | 0 | 0 | 0 | 108.9 | H43 T109 K110 N112 V123 | H43-D121 IonicContact CD2-OD1 3.61Å; H43-D121 IonicContact CG-OD1 3.99Å; H43-D121 CarbonylContact O-C 3.55Å; H43-D121 WeakPolarHBondContact O-CA 3.34Å; T109-D121 CarbonylContact C-O 3.52Å; T109-D121 VanDerWaalsContact CA-O 3.25Å; T109-D121 WeakPolarHBondContact CA-O 3.43Å; K110-D121 PolarHBondContact N-O 2.79Å; K110-D121 PolarHBondContact O-N 2.86Å; N112-D121 WeakPolarHBondContact CB-OD2 3.38Å; N112-D121 PolarHBondContact ND2-OD1 3.37Å; N112-D121 PolarHBondContact ND2-OD2 3.41Å; D121-V123 PolarHBondContact O-N 3.07Å |
| 122 | V | 91.7 | Very high | 89.4 | Confident | 24 Ų | 24 | 46.3 Ų | 46.3 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 121.6 | 172.9 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | I42 H43 V49 L107 | I42-V122 HydrophobicContact CG2-CG2 3.49Å; I42-V122 VanDerWaalsContact CG2-CG2 3.49Å; H43-V122 PolarHBondContact O-N 2.82Å; V49-V122 HydrophobicContact CG2-CG1 3.75Å; L107-V122 HydrophobicContact CD1-CG2 4.27Å; L107-V122 HydrophobicContact CD2-CG1 4.07Å |
| 123 | V | 90 | Very high | 89.9 | Confident | 41 Ų | 41 | 52.5 Ų | 52.5 | 25% | 0.248 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -45.8 | 176.7 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | W52 V108 K110 D121 | W52-V123 HydrophobicContact CH2-CG1 4.04Å; W52-V123 HydrophobicContact CZ2-CG1 3.77Å; V108-V123 HydrophobicContact CB-CB 4.46Å; V108-V123 HydrophobicContact CG1-CB 4.23Å; V108-V123 PolarHBondContact O-N 3.09Å; K110-V123 HydrophobicContact CB-CG2 3.61Å; D121-V123 PolarHBondContact O-N 3.07Å |
| 124 | S | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 166.1 | -178.9 | 71.8 | 0 | 0 | 0 | 0 | 112 | N50 V108 | N50-S124 CarbonylContact O-C 3.56Å; N50-S124 WeakPolarHBondContact O-CA 3.39Å; N50-S124 WeakPolarHBondContact O-CB 3.45Å; V108-S124 VanDerWaalsContact CB-OG 3.29Å; V108-S124 WeakPolarHBondContact CB-OG 3.18Å; V108-S124 WeakPolarHBondContact CG2-OG 3.15Å; V108-S124 PolarHBondContact N-O 2.95Å; V108-S124 PolarHBondContact O-N 2.81Å |
| 125 | V | 92.5 | Very high | 90.9 | Very high | 10 Ų | 10 | 53 Ų | 53 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 138.9 | 166.9 | 66.6 | 0 | 0 | 0 | 0 | 109.5 | V49 N50 E51 W52 P105 M106 L107 R127 | V49-V125 HydrophobicContact CG1-CB 4.45Å; V49-V125 HydrophobicContact CG1-CG1 3.95Å; N50-V125 PolarHBondContact O-N 2.89Å; E51-V125 WeakPolarHBondContact CA-O 3.29Å; W52-V125 PolarHBondContact N-O 3.37Å; P105-V125 HydrophobicContact CB-CG2 4.12Å; M106-V125 CarbonylContact O-C 3.59Å; M106-V125 WeakPolarHBondContact O-CA 3.21Å; L107-V125 HydrophobicContact CD2-CB 4.34Å; L107-V125 HydrophobicContact CD2-CG2 4.27Å; V125-R127 HydrophobicContact CG1-CG 4.47Å; V125-R127 HydrophobicContact CG2-CG 4.1Å |
| 126 | I | 95.1 | Very high | 91.7 | Very high | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.082 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 117.3 | 172 | -57.9 | 171 | 0 | 0 | 0 | 107.3 | W52 M54 L102 P105 M106 V108 R128 | W52-I126 HydrophobicContact CB-CG1 3.92Å; W52-I126 WeakPolarHBondContact O-CA 3.47Å; M54-I126 HydrophobicContact CB-CD1 4.44Å; M54-I126 HydrophobicContact CB-CG2 3.79Å; L102-I126 HydrophobicContact CD1-CB 4.36Å; L102-I126 HydrophobicContact CD1-CG2 3.66Å; P105-I126 CarbonylContact C-O 3.4Å; P105-I126 VanDerWaalsContact CA-O 3.26Å; P105-I126 WeakPolarHBondContact CA-O 3.13Å; M106-I126 HydrophobicContact CB-CB 4.3Å; M106-I126 PolarHBondContact N-O 3.32Å; M106-I126 PolarHBondContact O-N 2.86Å; V108-I126 HydrophobicContact CG2-CD1 3.49Å; V108-I126 VanDerWaalsContact CG2-CD1 3.49Å; V108-I126 HydrophobicContact CG2-CG1 3.84Å; I126-R128 WeakPolarHBondContact CG2-O 3.25Å |
| 127 | R | 95.4 | Very high | 92.5 | Very high | 122 Ų | 122 | 53.9 Ų | 53.9 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -19.9 | 176.7 | -57.3 | 178.1 | -178.8 | -79.9 | -1.2 | 112.6 | L102 P105 V125 | L102-R127 PolarHBondContact N-O 2.84Å; P105-R127 HydrophobicContact CB-CG 4.38Å; V125-R127 HydrophobicContact CG1-CG 4.47Å; V125-R127 HydrophobicContact CG2-CG 4.1Å |
| 128 | R | 95.6 | Very high | 93.1 | Very high | 49 Ų | 49 | 55 Ų | 55 | 19% | 0.185 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 155.7 | -174.9 | -58 | 175.8 | 73.4 | 177.3 | 0.6 | 110.6 | L10 L53 M54 V99 V100 I126 | L10-R128 VanDerWaalsContact CD2-NH2 3.27Å; L53-R128 HydrophobicContact CD2-CB 3.67Å; M54-R128 PolarHBondContact N-O 2.89Å; V99-R128 HydrophobicContact CG1-CB 4.46Å; V100-R128 CarbonylContact O-C 3.51Å; V100-R128 VanDerWaalsContact O-CA 3.27Å; V100-R128 WeakPolarHBondContact O-CA 3.36Å; I126-R128 WeakPolarHBondContact CG2-O 3.25Å |
| 129 | K | 95 | Very high | 93.4 | Very high | 39 Ų | 39 | 55.7 Ų | 55.7 | 17% | 0.17 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 150.4 | 173.4 | 66.1 | 176.8 | -179.6 | -179.6 | 0 | 112.2 | M54 E56 V99 V100 L102 | M54-K129 HydrophobicContact CB-CB 3.94Å; M54-K129 HydrophobicContact CE-CB 3.89Å; M54-K129 HydrophobicContact CE-CD 3.79Å; M54-K129 HydrophobicContact CE-CG 4.44Å; M54-K129 HydrophobicContact CG-CB 4.41Å; M54-K129 CarbonylContact O-C 3.6Å; M54-K129 WeakPolarHBondContact O-CA 3.44Å; M54-K129 WeakPolarHBondContact O-CB 3.29Å; E56-K129 HydrophobicContact CB-CD 4.47Å; E56-K129 IonicContact OE1-NZ 2.78Å; E56-K129 VanDerWaalsContact OE2-CD 3.24Å; E56-K129 WeakPolarHBondContact OE2-CD 3.48Å; E56-K129 WeakPolarHBondContact OE2-CE 3.04Å; E56-K129 IonicContact OE2-NZ 3.56Å; E56-K129 PolarHBondContact OE2-NZ 2.58Å; V99-K129 WeakPolarHBondContact CA-O 3.35Å; V100-K129 HydrophobicContact CB-CG 4.19Å; V100-K129 PolarHBondContact N-O 3.15Å; V100-K129 PolarHBondContact O-N 3.08Å; L102-K129 HydrophobicContact CD2-CB 4.15Å; L102-K129 HydrophobicContact CD2-CD 3.77Å; L102-K129 HydrophobicContact CD2-CG 3.91Å |
| 130 | L | 95.8 | Very high | 93.1 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 105.7 | 162.6 | -51.5 | -173.9 | 0 | 0 | 0 | 107.4 | M54 I55 E56 L77 F79 P86 V99 F132 | M54-L130 PolarHBondContact O-N 3.32Å; I55-L130 HydrophobicContact CG1-CB 4.41Å; I55-L130 HydrophobicContact CG1-CD1 4.19Å; I55-L130 HydrophobicContact CG1-CG 4.49Å; E56-L130 PolarHBondContact N-O 3Å; L77-L130 HydrophobicContact CD1-CD1 4.14Å; L77-L130 HydrophobicContact CD2-CD1 3.56Å; L77-L130 HydrophobicContact CG-CD1 4.49Å; F79-L130 HydrophobicContact CE1-CD2 4.24Å; F79-L130 HydrophobicContact CZ-CD1 4.08Å; F79-L130 HydrophobicContact CZ-CD2 4.05Å; P86-L130 HydrophobicContact CB-CD1 4.35Å; P86-L130 HydrophobicContact CB-CD2 4.35Å; P86-L130 HydrophobicContact CG-CB 4.36Å; P86-L130 HydrophobicContact CG-CD2 4.17Å; V99-L130 HydrophobicContact CB-CD2 4.37Å; V99-L130 HydrophobicContact CG1-CD2 4.13Å; V99-L130 HydrophobicContact CG2-CD2 3.8Å; L130-F132 HydrophobicContact CB-CD2 4.4Å; L130-F132 HydrophobicContact CB-CE2 3.66Å; L130-F132 HydrophobicContact CB-CZ 4.31Å |
| 131 | L | 96.4 | Very high | 92.4 | Very high | 31 Ų | 31 | 67.7 Ų | 67.7 | 16% | 0.162 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 111 | -176.3 | 176.1 | 65 | 0 | 0 | 0 | 110.6 | E56 G97 K98 V100 K133 | E56-L131 HydrophobicContact CB-CD1 4.2Å; E56-L131 HydrophobicContact CG-CD1 4Å; E56-L131 WeakPolarHBondContact OE1-CD1 3.3Å; G97-L131 CarbonylContact C-O 3.48Å; G97-L131 WeakPolarHBondContact CA-O 3.27Å; K98-L131 PolarHBondContact N-O 2.92Å; K98-L131 PolarHBondContact O-N 2.64Å; V100-L131 HydrophobicContact CG2-CB 4.03Å; V100-L131 HydrophobicContact CG2-CD2 4.12Å; L131-K133 HydrophobicContact CD1-CB 4.33Å; L131-K133 HydrophobicContact CG-CB 4.23Å |
| 132 | F | 96.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 69.7 Ų | 69.7 | 0% | 0.004 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 72.4 | 175 | -60.9 | -89.2 | 0 | 0 | 0 | 110.3 | I55 E56 L57 Q58 L77 P86 L88 L95 L130 T134 | I55-F132 HydrophobicContact CG2-CD2 4.16Å; I55-F132 HydrophobicContact CG2-CE2 3.99Å; E56-F132 WeakPolarHBondContact O-CB 3.35Å; E56-F132 PolarHBondContact O-N 3.42Å; L57-F132 HydrophobicContact CD2-CB 4.25Å; L57-F132 HydrophobicContact CD2-CD2 3.76Å; L57-F132 HydrophobicContact CD2-CE2 4.41Å; L57-F132 HydrophobicContact CD2-CG 4.18Å; Q58-F132 VanDerWaalsContact CB-O 3.3Å; Q58-F132 WeakPolarHBondContact CB-O 3.49Å; Q58-F132 PolarHBondContact N-O 3.01Å; Q58-F132 VanDerWaalsContact N-O 3.16Å; L77-F132 HydrophobicContact CD1-CZ 3.92Å; P86-F132 HydrophobicContact CB-CE1 4.19Å; P86-F132 HydrophobicContact CB-CZ 3.82Å; P86-F132 HydrophobicContact CG-CE1 4.3Å; P86-F132 HydrophobicContact CG-CZ 4.08Å; L88-F132 HydrophobicContact CB-CD1 4.24Å; L88-F132 HydrophobicContact CB-CE1 3.51Å; L88-F132 HydrophobicContact CB-CE2 4.38Å; L88-F132 HydrophobicContact CB-CZ 3.59Å; L88-F132 HydrophobicContact CD2-CE2 4.21Å; L88-F132 HydrophobicContact CD2-CZ 4.22Å; L95-F132 HydrophobicContact CB-CB 4.32Å; L95-F132 HydrophobicContact CB-CD1 3.66Å; L95-F132 HydrophobicContact CB-CE1 4.35Å; L95-F132 HydrophobicContact CB-CG 4.27Å; L95-F132 HydrophobicContact CD2-CB 4.16Å; L130-F132 HydrophobicContact CB-CD2 4.4Å; L130-F132 HydrophobicContact CB-CE2 3.66Å; L130-F132 HydrophobicContact CB-CZ 4.31Å; F132-T134 PolarHBondContact O-N 3.47Å |
| 133 | K | 94.9 | Very high | 90.5 | Very high | 158 Ų | 158 | 73.2 Ų | 73.2 | 69% | 0.687 | 38% | 0.377 | S | S | * | . | trans | -76.1 | -17.6 | -173.9 | 68.2 | -179.5 | -178.4 | 178.7 | 0 | 115.3 | L131 | L131-K133 HydrophobicContact CD1-CB 4.33Å; L131-K133 HydrophobicContact CG-CB 4.23Å | ||
| 134 | T | 93.6 | Very high | 89.1 | Confident | 57 Ų | 57 | 76.4 Ų | 76.4 | 35% | 0.35 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -86.5 | 150.3 | -176 | 61.5 | 0 | 0 | 0 | 0 | 110.5 | F96 F132 | F96-T134 PolarHBondContact O-OG1 3Å; F132-T134 PolarHBondContact O-N 3.47Å |
| 135 | R | 93.5 | Very high | 87.3 | Confident | 200 Ų | 200 | 85.2 Ų | 85.2 | 76% | 0.755 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 136.9 | 176.2 | -176.6 | -179.3 | -97.1 | -160.4 | -4.9 | 110.2 | K137 | R135-K137 PolarHBondContact O-N 3.35Š|
| 136 | P | 92.9 | Very high | 85.5 | Confident | 38 Ų | 38 | 94.6 Ų | 94.6 | 25% | 0.247 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -52.3 | 129.5 | 174.2 | -25 | 31 | 0 | 0 | 0 | 111.3 | H93 L95 | H93-P136 HydrophobicContact CB-CB 3.89Å; L95-P136 HydrophobicContact CD1-CB 4.38Å; L95-P136 HydrophobicContact CD2-CG 3.98Å; L95-P136 HydrophobicContact CG-CB 4.12Å; L95-P136 HydrophobicContact CG-CG 4.13Å |
| 137 | K | 93.7 | Very high | 83.6 | Confident | 120 Ų | 120 | 103.5 Ų | 103.5 | 52% | 0.522 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 134.3 | 178.4 | -68 | -174.6 | 178.7 | 179.9 | 0 | 109.6 | H93 V94 F96 R135 | H93-K137 CarbonylContact C-O 3.57Å; H93-K137 VanDerWaalsContact CA-O 3.29Å; H93-K137 WeakPolarHBondContact CA-O 3.39Å; V94-K137 HydrophobicContact CG1-CB 3.99Å; V94-K137 PolarHBondContact N-O 3.09Å; V94-K137 PolarHBondContact O-N 3.21Å; F96-K137 HydrophobicContact CE2-CD 4.3Å; R135-K137 PolarHBondContact O-N 3.35Å |
| 138 | P | 93.7 | Very high | 83 | Confident | 87 Ų | 87 | 102.6 Ų | 102.6 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 140.5 | 172.3 | 28.7 | -33.7 | 0 | 0 | 0 | 110 | I140 | P138-I140 PolarHBondContact O-N 3.07Å |
| 139 | I | 92 | Very high | 82.4 | Confident | 68 Ų | 68 | 105.4 Ų | 105.4 | 35% | 0.349 | 56% | 0.556 | S | S | . | * | trans | -85.4 | 107.6 | 173.3 | -58.4 | 167 | 0 | 0 | 0 | 107.4 | F89 H92 V94 | F89-I139 HydrophobicContact CD1-CD1 3.73Å; F89-I139 HydrophobicContact CE1-CD1 4.21Å; H92-I139 PolarHBondContact O-N 2.94Å; V94-I139 HydrophobicContact CB-CD1 4.27Å; V94-I139 HydrophobicContact CB-CG1 4.02Å; V94-I139 HydrophobicContact CG1-CG1 4.03Å | ||
| 140 | I | 83.2 | Confident | 81.7 | Confident | 145 Ų | 145 | 109.1 Ų | 109.1 | 74% | 0.744 | 58% | 0.578 | S | S | * | * | trans | -94.8 | 106.8 | 178.6 | -53.9 | 176 | 0 | 0 | 0 | 107.9 | P138 S142 | P138-I140 PolarHBondContact O-N 3.07Å; I140-S142 PolarHBondContact O-N 2.77Å | ||
| 141 | L | 75.4 | Confident | 80.9 | Confident | 158 Ų | 158 | 115.3 Ų | 115.3 | 83% | 0.827 | 61% | 0.611 | S | S | * | * | trans | -78.6 | 105.2 | 168.7 | -63.8 | 173.7 | 0 | 0 | 0 | 108.1 | A143 | L141-A143 PolarHBondContact O-N 2.85Š| ||
| 142 | S | 71.5 | Confident | 79.9 | Confident | 97 Ų | 97 | 120.6 Ų | 120.6 | 68% | 0.678 | 64% | 0.639 | S | S | * | * | trans | -71 | 112.1 | 168.8 | 61.4 | 0 | 0 | 0 | 0 | 108.5 | I140 S144 | I140-S142 PolarHBondContact O-N 2.77Å; S142-S144 VanDerWaalsContact C-N 3.26Å; S142-S144 PolarHBondContact O-N 3.42Å | ||
| 143 | A | 71 | Confident | 78.8 | Confident | 98 Ų | 98 | 128.5 Ų | 128.5 | 81% | 0.81 | 68% | 0.681 | S | S | * | * | trans | -70.2 | 89.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | L141 K145 | L141-A143 PolarHBondContact O-N 2.85Å; A143-K145 VanDerWaalsContact C-N 3.31Å; A143-K145 PolarHBondContact O-N 3.43Å | ||
| 144 | S | 61.3 | Low | 77.6 | Confident | 107 Ų | 107 | 126.4 Ų | 126.4 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | trans | -59 | 104.2 | 164.7 | -60.5 | 0 | 0 | 0 | 0 | 106.3 | S142 K146 | S142-S144 VanDerWaalsContact C-N 3.26Å; S142-S144 PolarHBondContact O-N 3.42Å; S144-K146 PolarHBondContact O-N 3.41Å | ||
| 145 | K | 55.1 | Low | 76.4 | Confident | 186 Ų | 186 | 131.8 Ų | 131.8 | 81% | 0.809 | 71% | 0.706 | S | S | * | * | trans | -55 | 115.6 | 177.5 | -161.2 | 175.7 | -172.8 | -179.2 | 0 | 106.1 | A143 V147 | A143-K145 VanDerWaalsContact C-N 3.31Å; A143-K145 PolarHBondContact O-N 3.43Å; K145-V147 PolarHBondContact O-N 3.34Å | ||
| 146 | K | 55 | Low | 75 | Confident | 206 Ų | 206 | 126.1 Ų | 126.1 | 90% | 0.896 | 70% | 0.702 | S | S | * | * | trans | -55.8 | 108.4 | 164 | -97.8 | -176.5 | 172 | -177 | 0 | 105.9 | S144 | S144-K146 PolarHBondContact O-N 3.41Š| ||
| 147 | V | 54.9 | Low | 73.3 | Confident | 203 Ų | 203 | 134.1 Ų | 134.1 | 100% | 1.23 | 74% | 0.743 | S | S | * | * | trans | -77.8 | 0 | 156.4 | -175.5 | 0 | 0 | 0 | 0 | 106.3 | K145 | K145-V147 PolarHBondContact O-N 3.34Š|
Retrieved 147 of 147 residues in 40.5 ms
(Link to these results)