| 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 | 49.5 | Very low | 54.8 | Low | 246 Ų | 246 | 152.5 Ų | 152.5 | 100% | 1.212 | 85% | 0.849 | S | S | * | * | 0 | 127.5 | 0 | -71.4 | -175.4 | 176.6 | 0 | 0 | 107.5 | |||||
| 2 | A | 51.8 | Low | 55.2 | Low | 102 Ų | 102 | 153.8 Ų | 153.8 | 84% | 0.843 | 84% | 0.844 | S | S | * | * | trans | -70.3 | 135.7 | -156.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K4 | A2-K4 PolarHBondContact O-N 3.29Š| ||
| 3 | F | 53.8 | Low | 55.8 | Low | 198 Ų | 198 | 150.6 Ų | 150.6 | 87% | 0.868 | 84% | 0.835 | S | S | * | * | trans | -61.6 | 126 | 168.5 | -93 | -104 | 0 | 0 | 0 | 110 | ||||
| 4 | K | 57.8 | Low | 56.3 | Low | 196 Ų | 196 | 153.2 Ų | 153.2 | 85% | 0.852 | 84% | 0.837 | S | S | * | * | trans | -89.4 | 101.3 | 169.8 | -104.1 | 178.4 | 172.4 | 178.2 | 0 | 108.2 | A2 T6 | A2-K4 PolarHBondContact O-N 3.29Å; K4-T6 PolarHBondContact O-N 2.99Å | ||
| 5 | D | 55.1 | Low | 57.3 | Low | 157 Ų | 157 | 149.5 Ų | 149.5 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | trans | -69.6 | 103.3 | 162.3 | -76.4 | -46.6 | 0 | 0 | 0 | 108.6 | G7 | D5-G7 PolarHBondContact O-N 3.18Š| ||
| 6 | T | 56.8 | Low | 58.6 | Low | 133 Ų | 133 | 143.9 Ų | 143.9 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | trans | -75.6 | 104.6 | 168.8 | 48.9 | 0 | 0 | 0 | 0 | 108.3 | K4 K8 | K4-T6 PolarHBondContact O-N 2.99Å; T6-K8 PolarHBondContact O-N 3.41Å | ||
| 7 | G | 52.6 | Low | 60.1 | Low | 68 Ų | 68 | 143.1 Ų | 143.1 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -53 | 128.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | D5 T9 | D5-G7 PolarHBondContact O-N 3.18Å; G7-T9 PolarHBondContact O-N 3.17Å; G7-T9 VanDerWaalsContact O-N 3.1Å | ||
| 8 | K | 52.7 | Low | 61.6 | Low | 208 Ų | 208 | 137.9 Ų | 137.9 | 90% | 0.904 | 76% | 0.762 | S | S | * | * | trans | -55 | 109 | 162.7 | -98 | 172.6 | 170 | 173.6 | 0 | 108.6 | T6 | T6-K8 PolarHBondContact O-N 3.41Š| ||
| 9 | T | 57 | Low | 63 | Low | 119 Ų | 119 | 139.9 Ų | 139.9 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | trans | -58.8 | 129.4 | 158.8 | 33.7 | 0 | 0 | 0 | 0 | 108.6 | G7 V11 | G7-T9 PolarHBondContact O-N 3.17Å; G7-T9 VanDerWaalsContact O-N 3.1Å; T9-V11 PolarHBondContact O-N 2.89Å; T9-V11 VanDerWaalsContact O-N 3.14Å | ||
| 10 | P | 56.6 | Low | 64.4 | Low | 121 Ų | 121 | 133.1 Ų | 133.1 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | trans | -65.9 | 116.6 | 174.2 | 27.2 | -29.8 | 0 | 0 | 0 | 107.7 | E12 | P10-E12 PolarHBondContact O-N 3.11Š| ||
| 11 | V | 59.2 | Low | 65.7 | Low | 129 Ų | 129 | 132.2 Ų | 132.2 | 78% | 0.782 | 71% | 0.706 | S | S | * | * | trans | -67.3 | 113 | 171.4 | -176.4 | 0 | 0 | 0 | 0 | 106 | T9 | T9-V11 PolarHBondContact O-N 2.89Å; T9-V11 VanDerWaalsContact O-N 3.14Å | ||
| 12 | E | 59.9 | Low | 67.7 | Low | 169 Ų | 169 | 120.7 Ų | 120.7 | 79% | 0.79 | 65% | 0.649 | S | S | * | * | trans | -54.6 | 134.4 | 173 | -68.5 | -175.4 | 161.7 | 0 | 0 | 108.7 | P10 E14 | P10-E12 PolarHBondContact O-N 3.11Å; E12-E14 PolarHBondContact O-N 3.35Å; E12-E14 VanDerWaalsContact O-N 3.09Å | ||
| 13 | P | 62.7 | Low | 69.7 | Low | 112 Ų | 112 | 116 Ų | 116 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | trans | -61.1 | 120.8 | -177.6 | 25.4 | -32.4 | 0 | 0 | 0 | 108.5 | V15 | P13-V15 WeakPolarHBondContact O-CG2 3.32Å; P13-V15 PolarHBondContact O-N 2.91Å | ||
| 14 | E | 62.7 | Low | 71.6 | Confident | 187 Ų | 187 | 106.6 Ų | 106.6 | 87% | 0.874 | 57% | 0.569 | S | S | * | * | trans | -54.1 | 112.2 | 174.7 | -69.1 | -174.2 | 166.3 | 0 | 0 | 108.7 | E12 A16 | E12-E14 PolarHBondContact O-N 3.35Å; E12-E14 VanDerWaalsContact O-N 3.09Å; E14-A16 PolarHBondContact O-N 2.91Å | ||
| 15 | V | 71.2 | Confident | 73.3 | Confident | 98 Ų | 98 | 98.4 Ų | 98.4 | 59% | 0.594 | 54% | 0.535 | S | S | * | . | trans | -73.8 | 99.6 | -171.8 | 176.1 | 0 | 0 | 0 | 0 | 108.4 | P13 I17 P94 | P13-V15 WeakPolarHBondContact O-CG2 3.32Å; P13-V15 PolarHBondContact O-N 2.91Å; V15-I17 PolarHBondContact O-N 3.34Å; V15-P94 HydrophobicContact CG1-CB 3.25Å; V15-P94 HydrophobicContact CG1-CG 3.57Å | ||
| 16 | A | 78.8 | Confident | 75.2 | Confident | 60 Ų | 60 | 91.4 Ų | 91.4 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | trans | -57 | 123.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E14 H18 | E14-A16 PolarHBondContact O-N 2.91Å; A16-H18 PolarHBondContact O-CD2 3.28Å | ||
| 17 | I | 83.4 | Confident | 77 | Confident | 130 Ų | 130 | 93.4 Ų | 93.4 | 67% | 0.667 | 49% | 0.491 | S | S | * | . | trans | -90.9 | 110.7 | -179.8 | -57.4 | 173.9 | 0 | 0 | 0 | 108 | V15 | V15-I17 PolarHBondContact O-N 3.34Š| ||
| 18 | H | 86.8 | Confident | 78.9 | Confident | 49 Ų | 49 | 94.3 Ų | 94.3 | 23% | 0.227 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 155.6 | 176.7 | -60.1 | -89.3 | 0 | 0 | 0 | 111.7 | A16 I20 S93 I116 D118 | A16-H18 PolarHBondContact O-CD2 3.28Å; H18-I20 HydrophobicContact CB-CD1 4.36Å; H18-I20 HydrophobicContact CB-CG1 4.01Å; H18-S93 PolarHBondContact N-O 3.41Å; H18-S93 PolarHBondContact O-N 2.86Å; H18-I116 HydrophobicContact CB-CG2 3.76Å; H18-D118 IonicContact CE1-OD1 3.08Å; H18-D118 PolarHBondContact CE1-OD1 2.97Å; H18-D118 IonicContact ND1-OD1 3.47Å; H18-D118 PolarHBondContact ND1-OD1 3.47Å; H18-D118 VanDerWaalsContact ND1-OD1 3.08Å |
| 19 | R | 88.7 | Confident | 80.9 | Confident | 177 Ų | 177 | 86.7 Ų | 86.7 | 67% | 0.668 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 108.9 | 166.3 | -60.8 | -167.7 | 170.8 | 175.1 | -2.2 | 107.8 | A117 | R19-A117 HydrophobicContact CB-CB 4.38Å; R19-A117 PolarHBondContact O-N 3.03Å |
| 20 | I | 91.1 | Very high | 82.6 | Confident | 3 Ų | 3 | 89.3 Ų | 89.3 | 2% | 0.015 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130.4 | -174.4 | -58.1 | 173.6 | 0 | 0 | 0 | 108.9 | H18 D90 L91 S93 V98 V114 I116 | H18-I20 HydrophobicContact CB-CD1 4.36Å; H18-I20 HydrophobicContact CB-CG1 4.01Å; I20-D90 WeakPolarHBondContact O-CA 3.46Å; I20-L91 PolarHBondContact N-O 2.85Å; I20-L91 PolarHBondContact O-N 2.83Å; I20-S93 WeakPolarHBondContact CD1-O 3.28Å; I20-V98 HydrophobicContact CD1-CB 4.19Å; I20-V98 HydrophobicContact CD1-CG2 3.53Å; I20-V98 HydrophobicContact CG2-CG1 4.25Å; I20-V98 HydrophobicContact CG2-CG2 4.5Å; I20-V114 HydrophobicContact CG2-CG1 3.53Å; I20-I116 HydrophobicContact CG1-CG1 4.28Å |
| 21 | R | 91.9 | Very high | 84.2 | Confident | 115 Ų | 115 | 84.3 Ų | 84.3 | 43% | 0.434 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 118.2 | 174.3 | 176.9 | 165.9 | -71.5 | 166.8 | 0.9 | 109.3 | L88 D90 T115 | R21-L88 HydrophobicContact CG-CD2 4.39Å; R21-D90 WeakPolarHBondContact CB-OD1 3.46Å; R21-D90 WeakPolarHBondContact CG-OD1 3.42Å; R21-D90 IonicContact CZ-OD1 2.74Å; R21-D90 IonicContact CZ-OD2 3.3Å; R21-D90 IonicContact NE-OD1 3.94Å; R21-D90 PolarHBondContact NE-OD1 3.02Å; R21-D90 IonicContact NE-OD2 3.57Å; R21-D90 IonicContact NH2-OD1 2.75Å; R21-D90 PolarHBondContact NH2-OD1 3.02Å; R21-D90 IonicContact NH2-OD2 2.75Å; R21-D90 PolarHBondContact NH2-OD2 2.88Å; R21-T115 PolarHBondContact N-O 3.5Å; R21-T115 PolarHBondContact O-N 3.33Å |
| 22 | I | 91.9 | Very high | 85.8 | Confident | 3 Ų | 3 | 78.1 Ų | 78.1 | 2% | 0.015 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 120.8 | 171.8 | -55.7 | 177.7 | 0 | 0 | 0 | 108.1 | L24 L39 L88 I89 L91 V98 T102 V112 V114 | I22-L24 HydrophobicContact CG2-CD2 3.97Å; I22-L24 HydrophobicContact CG2-CG 4.41Å; I22-L39 HydrophobicContact CG2-CD1 4.4Å; I22-L88 CarbonylContact O-C 3.55Å; I22-L88 WeakPolarHBondContact O-CA 3.45Å; I22-I89 HydrophobicContact CB-CB 4.38Å; I22-I89 PolarHBondContact N-O 3.39Å; I22-I89 PolarHBondContact O-N 3.37Å; I22-L91 HydrophobicContact CD1-CD1 3.59Å; I22-L91 HydrophobicContact CD1-CG 4.46Å; I22-L91 HydrophobicContact CG1-CD1 4.39Å; I22-V98 HydrophobicContact CD1-CG1 4.07Å; I22-T102 HydrophobicContact CD1-CG2 4.2Å; I22-V112 HydrophobicContact CG2-CG1 3.84Å; I22-V114 HydrophobicContact CG1-CG2 4.48Å |
| 23 | T | 93.4 | Very high | 87.4 | Confident | 5 Ų | 5 | 74 Ų | 74 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 122.8 | 174.7 | -68.5 | 0 | 0 | 0 | 0 | 109.1 | T25 K86 L88 V112 E113 | T23-T25 HydrophobicContact CG2-CG2 4.26Å; T23-K86 HydrophobicContact CG2-CD 4.28Å; T23-K86 HydrophobicContact CG2-CG 4.25Å; T23-L88 HydrophobicContact CG2-CD2 4.05Å; T23-L88 WeakPolarHBondContact OG1-CD2 3.45Å; T23-V112 WeakPolarHBondContact O-CA 3.38Å; T23-E113 HydrophobicContact CG2-CB 4.5Å; T23-E113 PolarHBondContact N-O 3.17Å; T23-E113 PolarHBondContact O-N 2.95Å |
| 24 | L | 93.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.6 | 172.9 | -51.8 | 173.4 | 0 | 0 | 0 | 109.4 | I22 L32 V35 C36 L39 K86 R87 I89 V110 E111 V112 | I22-L24 HydrophobicContact CG2-CD2 3.97Å; I22-L24 HydrophobicContact CG2-CG 4.41Å; L24-L32 HydrophobicContact CB-CD1 3.45Å; L24-L32 VanDerWaalsContact CB-CD1 3.45Å; L24-L32 HydrophobicContact CD1-CD1 4.4Å; L24-V35 HydrophobicContact CD1-CG1 4.39Å; L24-V35 HydrophobicContact CD2-CG1 4.27Å; L24-C36 HydrophobicContact CD1-CB 3.99Å; L24-L39 HydrophobicContact CD1-CD1 3.93Å; L24-L39 HydrophobicContact CD2-CD1 3.74Å; L24-L39 HydrophobicContact CG-CD1 4.35Å; L24-K86 CarbonylContact O-C 3.55Å; L24-K86 VanDerWaalsContact O-CA 3.29Å; L24-K86 WeakPolarHBondContact O-CA 3.29Å; L24-R87 HydrophobicContact CB-CB 4.29Å; L24-R87 HydrophobicContact CD1-CB 4.48Å; L24-R87 PolarHBondContact N-O 3.38Å; L24-R87 PolarHBondContact O-N 3.26Å; L24-I89 HydrophobicContact CD1-CD1 4.18Å; L24-V110 HydrophobicContact CB-CG1 4.42Å; L24-E111 WeakPolarHBondContact CA-O 3.48Å; L24-V112 HydrophobicContact CD2-CB 4.15Å; L24-V112 HydrophobicContact CD2-CG1 3.83Å; L24-V112 HydrophobicContact CD2-CG2 3.62Å |
| 25 | T | 94.4 | Very high | 90.2 | Very high | 24 Ų | 24 | 65.1 Ų | 65.1 | 15% | 0.147 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 132.5 | 175.4 | 39.9 | 0 | 0 | 0 | 0 | 110.7 | T23 H85 K86 E111 | T23-T25 HydrophobicContact CG2-CG2 4.26Å; T25-H85 WeakPolarHBondContact CA-O 3.35Å; T25-K86 HydrophobicContact CG2-CB 4.08Å; T25-K86 HydrophobicContact CG2-CD 4.18Å; T25-K86 HydrophobicContact CG2-CG 3.87Å; T25-E111 PolarHBondContact N-O 2.89Å; T25-E111 PolarHBondContact O-N 2.97Å; T25-E111 VanDerWaalsContact OG1-CB 3.28Å; T25-E111 WeakPolarHBondContact OG1-CB 3.27Å; T25-E111 PolarHBondContact OG1-OE2 3.21Å |
| 26 | S | 94.4 | Very high | 91.2 | Very high | 9 Ų | 9 | 61 Ų | 61 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 156.9 | 173.5 | -169.7 | 0 | 0 | 0 | 0 | 112.2 | N28 H85 G109 | S26-N28 PolarHBondContact OG-N 3.29Å; S26-N28 PolarHBondContact OG-O 3.1Å; S26-H85 PolarHBondContact N-O 3.23Å; S26-H85 PolarHBondContact O-N 3.49Å; S26-G109 WeakPolarHBondContact CB-O 3.42Å; S26-G109 PolarHBondContact OG-O 3.03Å |
| 27 | R | 94.8 | Very high | 91.8 | Very high | 176 Ų | 176 | 60.8 Ų | 60.8 | 66% | 0.664 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -80.5 | -27.8 | 168.3 | -62.1 | -175.2 | -64.3 | 134.7 | -3.7 | 112.4 | M82 R83 | R27-M82 WeakPolarHBondContact CD-SD 3.48Å; R27-M82 HydrophobicContact CG-CG 4.23Å; R27-M82 HydrophobicContact CG-SD 4.14Å; R27-R83 WeakPolarHBondContact CA-O 3.41Å |
| 28 | N | 92.8 | Very high | 92.2 | Very high | 86 Ų | 86 | 56.6 Ų | 56.6 | 46% | 0.46 | 26% | 0.263 | S | S | . | . | trans | -102.5 | 123.1 | -177.3 | -176.9 | -0.6 | 0 | 0 | 0 | 110.2 | S26 K30 S31 L32 | S26-N28 PolarHBondContact OG-N 3.29Å; S26-N28 PolarHBondContact OG-O 3.1Å; N28-K30 PolarHBondContact OD1-N 3.08Å; N28-S31 WeakPolarHBondContact CB-OG 3.45Å; N28-S31 PolarHBondContact O-OG 3.38Å; N28-L32 WeakPolarHBondContact O-CB 3.34Å; N28-L32 PolarHBondContact O-N 3.18Å | ||
| 29 | V | 93.1 | Very high | 92.4 | Very high | 49 Ų | 49 | 54.6 Ų | 54.6 | 30% | 0.297 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.5 | -39.8 | -179.3 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | L32 E33 H85 | V29-L32 PolarHBondContact O-N 3.39Å; V29-E33 HydrophobicContact CG1-CG 4.09Å; V29-E33 WeakPolarHBondContact O-CB 3.26Å; V29-E33 WeakPolarHBondContact O-CG 3.41Å; V29-E33 PolarHBondContact O-N 2.83Å; V29-H85 VanDerWaalsContact CG2-CD2 3.42Å; V29-H85 WeakPolarHBondContact CG2-CD2 3.47Å; V29-H85 WeakPolarHBondContact CG2-NE2 3.45Å |
| 30 | K | 92.7 | Very high | 92.5 | Very high | 174 Ų | 174 | 47.7 Ų | 47.7 | 76% | 0.757 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -65.2 | -45.6 | -173.2 | -66.6 | -174.7 | 178.7 | -177.3 | 0 | 112 | N28 E33 K34 | N28-K30 PolarHBondContact OD1-N 3.08Å; K30-E33 PolarHBondContact O-N 3.17Å; K30-K34 WeakPolarHBondContact O-CB 3.49Å; K30-K34 PolarHBondContact O-N 2.97Å; K30-K34 VanDerWaalsContact O-N 3.08Å |
| 31 | S | 92 | Very high | 92.5 | Very high | 15 Ų | 15 | 54 Ų | 54 | 11% | 0.105 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 176.6 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | N28 E33 K34 V35 | N28-S31 WeakPolarHBondContact CB-OG 3.45Å; N28-S31 PolarHBondContact O-OG 3.38Å; S31-E33 VanDerWaalsContact C-N 3.35Å; S31-E33 PolarHBondContact O-N 3.37Å; S31-K34 PolarHBondContact O-N 2.75Å; S31-V35 WeakPolarHBondContact O-CG2 3.49Å; S31-V35 PolarHBondContact O-N 2.79Å |
| 32 | L | 92.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 177.7 | -174.4 | 63.4 | 0 | 0 | 0 | 112.7 | L24 N28 V29 C36 H85 R87 V110 | L24-L32 HydrophobicContact CB-CD1 3.45Å; L24-L32 VanDerWaalsContact CB-CD1 3.45Å; L24-L32 HydrophobicContact CD1-CD1 4.4Å; N28-L32 WeakPolarHBondContact O-CB 3.34Å; N28-L32 PolarHBondContact O-N 3.18Å; V29-L32 PolarHBondContact O-N 3.39Å; L32-C36 WeakPolarHBondContact O-CB 3.2Å; L32-C36 PolarHBondContact O-N 2.95Å; L32-H85 HydrophobicContact CD2-CB 3.47Å; L32-H85 VanDerWaalsContact CD2-CB 3.47Å; L32-R87 HydrophobicContact CD1-CG 4.27Å; L32-R87 HydrophobicContact CD2-CG 3.84Å; L32-R87 HydrophobicContact CG-CG 3.92Å; L32-V110 HydrophobicContact CD1-CG1 3.91Å |
| 33 | E | 92.6 | Very high | 92.3 | Very high | 83 Ų | 83 | 49 Ų | 49 | 39% | 0.388 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -71.4 | -37.1 | 178.9 | -71.7 | -171.9 | 155.9 | 0 | 0 | 112.3 | V29 K30 S31 C36 A37 R55 R87 | V29-E33 HydrophobicContact CG1-CG 4.09Å; V29-E33 WeakPolarHBondContact O-CB 3.26Å; V29-E33 WeakPolarHBondContact O-CG 3.41Å; V29-E33 PolarHBondContact O-N 2.83Å; K30-E33 PolarHBondContact O-N 3.17Å; S31-E33 VanDerWaalsContact C-N 3.35Å; S31-E33 PolarHBondContact O-N 3.37Å; E33-C36 PolarHBondContact O-N 3.3Å; E33-A37 WeakPolarHBondContact O-CB 3.38Å; E33-A37 PolarHBondContact O-N 3.25Å; E33-R55 IonicContact OE1-NH2 3.29Å; E33-R55 PolarHBondContact OE1-NH2 3.37Å; E33-R87 IonicContact OE1-NH2 3.8Å |
| 34 | K | 92.1 | Very high | 92.1 | Very high | 109 Ų | 109 | 55.6 Ų | 55.6 | 47% | 0.474 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.9 | -54.2 | 171.7 | -175.4 | -172.3 | 172.3 | -160.1 | 0 | 111.2 | K30 S31 C36 A37 D38 E107 | K30-K34 WeakPolarHBondContact O-CB 3.49Å; K30-K34 PolarHBondContact O-N 2.97Å; K30-K34 VanDerWaalsContact O-N 3.08Å; S31-K34 PolarHBondContact O-N 2.75Å; K34-C36 VanDerWaalsContact C-N 3.32Å; K34-C36 PolarHBondContact O-N 3.45Å; K34-A37 PolarHBondContact O-N 3.49Å; K34-A37 VanDerWaalsContact O-N 3.12Å; K34-D38 PolarHBondContact O-N 3.43Å; K34-E107 IonicContact NZ-OE2 2.97Å; K34-E107 PolarHBondContact NZ-OE2 3.33Å |
| 35 | V | 92.2 | Very high | 92 | Very high | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 178.8 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | L24 S31 A37 D38 L39 E107 V110 | L24-V35 HydrophobicContact CD1-CG1 4.39Å; L24-V35 HydrophobicContact CD2-CG1 4.27Å; S31-V35 WeakPolarHBondContact O-CG2 3.49Å; S31-V35 PolarHBondContact O-N 2.79Å; V35-A37 VanDerWaalsContact C-N 3.33Å; V35-A37 PolarHBondContact O-N 2.92Å; V35-D38 PolarHBondContact O-N 3.12Å; V35-L39 HydrophobicContact CG1-CD1 3.95Å; V35-L39 HydrophobicContact CG1-CG 4.3Å; V35-L39 WeakPolarHBondContact O-CB 3.33Å; V35-L39 WeakPolarHBondContact O-CG 3.21Å; V35-L39 PolarHBondContact O-N 3.08Å; V35-E107 HydrophobicContact CG2-CB 3.46Å; V35-E107 VanDerWaalsContact CG2-CB 3.46Å; V35-E107 HydrophobicContact CG2-CG 4.39Å; V35-V110 HydrophobicContact CB-CG1 4.48Å; V35-V110 HydrophobicContact CG1-CG1 4.37Å; V35-V110 HydrophobicContact CG2-CB 4.33Å; V35-V110 HydrophobicContact CG2-CG1 4.47Å; V35-V110 HydrophobicContact CG2-CG2 4.02Å |
| 36 | C | 92.3 | Very high | 91.6 | Very high | 11 Ų | 11 | 64.2 Ų | 64.2 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 176.6 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | L24 L32 E33 K34 I40 P53 | L24-C36 HydrophobicContact CD1-CB 3.99Å; L32-C36 WeakPolarHBondContact O-CB 3.2Å; L32-C36 PolarHBondContact O-N 2.95Å; E33-C36 PolarHBondContact O-N 3.3Å; K34-C36 VanDerWaalsContact C-N 3.32Å; K34-C36 PolarHBondContact O-N 3.45Å; C36-I40 WeakPolarHBondContact O-CD1 3.43Å; C36-I40 WeakPolarHBondContact O-CG1 3.33Å; C36-I40 PolarHBondContact O-N 3.43Å; C36-P53 WeakPolarHBondContact SG-CB 3.42Å |
| 37 | A | 91.7 | Very high | 91.3 | Very high | 56 Ų | 56 | 71 Ų | 71 | 46% | 0.463 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68 | -42.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E33 K34 V35 I40 R41 | E33-A37 WeakPolarHBondContact O-CB 3.38Å; E33-A37 PolarHBondContact O-N 3.25Å; K34-A37 PolarHBondContact O-N 3.49Å; K34-A37 VanDerWaalsContact O-N 3.12Å; V35-A37 VanDerWaalsContact C-N 3.33Å; V35-A37 PolarHBondContact O-N 2.92Å; A37-I40 PolarHBondContact O-N 3.36Å; A37-R41 WeakPolarHBondContact O-CB 3.44Å; A37-R41 PolarHBondContact O-N 2.94Å |
| 38 | D | 91 | Very high | 90.8 | Very high | 43 Ų | 43 | 63.8 Ų | 63.8 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 178.5 | -71.6 | -34.8 | 0 | 0 | 0 | 111.9 | K34 V35 I40 R41 G42 | K34-D38 PolarHBondContact O-N 3.43Å; V35-D38 PolarHBondContact O-N 3.12Å; D38-I40 PolarHBondContact O-N 3.36Å; D38-R41 PolarHBondContact O-N 2.93Å; D38-R41 IonicContact OD1-CZ 3.52Å; D38-R41 VanDerWaalsContact OD1-CZ 3.3Å; D38-R41 IonicContact OD1-NH1 3.17Å; D38-R41 PolarHBondContact OD1-NH1 3.35Å; D38-R41 IonicContact OD1-NH2 3.41Å; D38-R41 PolarHBondContact OD1-NH2 3.19Å; D38-G42 PolarHBondContact O-N 3.45Å |
| 39 | L | 90.3 | Very high | 90.6 | Very high | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.037 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 175.3 | -75.1 | 174.4 | 0 | 0 | 0 | 112.4 | I22 L24 V35 R41 A43 I89 I101 S105 | I22-L39 HydrophobicContact CG2-CD1 4.4Å; L24-L39 HydrophobicContact CD1-CD1 3.93Å; L24-L39 HydrophobicContact CD2-CD1 3.74Å; L24-L39 HydrophobicContact CG-CD1 4.35Å; V35-L39 HydrophobicContact CG1-CD1 3.95Å; V35-L39 HydrophobicContact CG1-CG 4.3Å; V35-L39 WeakPolarHBondContact O-CB 3.33Å; V35-L39 WeakPolarHBondContact O-CG 3.21Å; V35-L39 PolarHBondContact O-N 3.08Å; L39-R41 VanDerWaalsContact C-N 3.35Å; L39-A43 WeakPolarHBondContact O-CB 3.45Å; L39-A43 PolarHBondContact O-N 3.29Å; L39-I89 HydrophobicContact CB-CD1 4.25Å; L39-I89 HydrophobicContact CD1-CD1 4.33Å; L39-I101 HydrophobicContact CD2-CG2 3.67Å; L39-S105 VanDerWaalsContact CD2-OG 3.22Å; L39-S105 WeakPolarHBondContact CD2-OG 3.44Å |
| 40 | I | 91.1 | Very high | 90.4 | Very high | 31 Ų | 31 | 67.3 Ų | 67.3 | 16% | 0.159 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 176.7 | -67.6 | 164.6 | 0 | 0 | 0 | 110.6 | C36 A37 D38 K44 P53 I89 | C36-I40 WeakPolarHBondContact O-CD1 3.43Å; C36-I40 WeakPolarHBondContact O-CG1 3.33Å; C36-I40 PolarHBondContact O-N 3.43Å; A37-I40 PolarHBondContact O-N 3.36Å; D38-I40 PolarHBondContact O-N 3.36Å; I40-K44 HydrophobicContact CG2-CD 4.2Å; I40-K44 WeakPolarHBondContact O-CB 3.5Å; I40-K44 VanDerWaalsContact O-CG 3.32Å; I40-K44 WeakPolarHBondContact O-CG 3.47Å; I40-K44 PolarHBondContact O-N 2.95Å; I40-P53 HydrophobicContact CD1-CB 4.34Å; I40-P53 HydrophobicContact CD1-CG 3.73Å; I40-I89 HydrophobicContact CG1-CD1 4.29Å |
| 41 | R | 91.3 | Very high | 90.2 | Very high | 136 Ų | 136 | 65.4 Ų | 65.4 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62 | -51.3 | 175.6 | -173.8 | 178.8 | 67 | -127 | -16.8 | 110.7 | A37 D38 L39 A43 K44 E45 | A37-R41 WeakPolarHBondContact O-CB 3.44Å; A37-R41 PolarHBondContact O-N 2.94Å; D38-R41 PolarHBondContact O-N 2.93Å; D38-R41 IonicContact OD1-CZ 3.52Å; D38-R41 VanDerWaalsContact OD1-CZ 3.3Å; D38-R41 IonicContact OD1-NH1 3.17Å; D38-R41 PolarHBondContact OD1-NH1 3.35Å; D38-R41 IonicContact OD1-NH2 3.41Å; D38-R41 PolarHBondContact OD1-NH2 3.19Å; L39-R41 VanDerWaalsContact C-N 3.35Å; R41-A43 VanDerWaalsContact C-N 3.31Å; R41-A43 PolarHBondContact O-N 3.5Å; R41-K44 PolarHBondContact O-N 3.41Å; R41-K44 VanDerWaalsContact O-N 3.11Å; R41-E45 WeakPolarHBondContact CG-OE1 3.41Å; R41-E45 IonicContact NE-OE1 3.72Å; R41-E45 WeakPolarHBondContact O-CG 3.07Å; R41-E45 PolarHBondContact O-N 3.24Å |
| 42 | G | 90.1 | Very high | 89.4 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 12% | 0.124 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.4 | -34.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D38 K46 | D38-G42 PolarHBondContact O-N 3.45Å; G42-K46 PolarHBondContact O-N 3.14Å |
| 43 | A | 90 | Very high | 89.3 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 2% | 0.017 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.5 | -36.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L39 R41 K46 N47 L48 V50 L91 I101 | L39-A43 WeakPolarHBondContact O-CB 3.45Å; L39-A43 PolarHBondContact O-N 3.29Å; R41-A43 VanDerWaalsContact C-N 3.31Å; R41-A43 PolarHBondContact O-N 3.5Å; A43-K46 PolarHBondContact O-N 3.37Å; A43-N47 PolarHBondContact O-N 3.31Å; A43-L48 HydrophobicContact CB-CB 4.43Å; A43-L48 HydrophobicContact CB-CD1 4.49Å; A43-L48 WeakPolarHBondContact O-CB 3.36Å; A43-L48 PolarHBondContact O-N 2.95Å; A43-V50 HydrophobicContact CB-CG2 3.4Å; A43-L91 HydrophobicContact CB-CD2 4.27Å; A43-I101 HydrophobicContact CB-CD1 4.3Å |
| 44 | K | 89.4 | Confident | 89.4 | Confident | 142 Ų | 142 | 67.9 Ų | 67.9 | 62% | 0.617 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -69.4 | -40.8 | 175 | -75.7 | 178 | 177.8 | -175.7 | 0 | 112.5 | I40 R41 K46 N47 | I40-K44 HydrophobicContact CG2-CD 4.2Å; I40-K44 WeakPolarHBondContact O-CB 3.5Å; I40-K44 VanDerWaalsContact O-CG 3.32Å; I40-K44 WeakPolarHBondContact O-CG 3.47Å; I40-K44 PolarHBondContact O-N 2.95Å; R41-K44 PolarHBondContact O-N 3.41Å; R41-K44 VanDerWaalsContact O-N 3.11Å; K44-K46 PolarHBondContact O-N 3.09Å; K44-N47 PolarHBondContact O-N 3.2Å |
| 45 | E | 90.6 | Very high | 89.5 | Confident | 133 Ų | 133 | 69.7 Ų | 69.7 | 62% | 0.621 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.3 | -35 | 175.9 | -74.5 | 170 | -172.1 | 0 | 0 | 112 | R41 N47 | R41-E45 WeakPolarHBondContact CG-OE1 3.41Å; R41-E45 IonicContact NE-OE1 3.72Å; R41-E45 WeakPolarHBondContact O-CG 3.07Å; R41-E45 PolarHBondContact O-N 3.24Å; E45-N47 VanDerWaalsContact C-N 3.32Å |
| 46 | K | 87.5 | Confident | 89.6 | Confident | 73 Ų | 73 | 73.1 Ų | 73.1 | 32% | 0.317 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 12.9 | 176.2 | -59.8 | -169.1 | -170.6 | -178.8 | 0 | 114.1 | G42 A43 K44 L48 I97 Q100 I101 | G42-K46 PolarHBondContact O-N 3.14Å; A43-K46 PolarHBondContact O-N 3.37Å; K44-K46 PolarHBondContact O-N 3.09Å; K46-L48 HydrophobicContact CB-CG 4.25Å; K46-L48 PolarHBondContact O-N 3.03Å; K46-I97 HydrophobicContact CB-CG2 4.36Å; K46-I97 HydrophobicContact CD-CG2 3.44Å; K46-I97 VanDerWaalsContact CD-CG2 3.44Å; K46-Q100 VanDerWaalsContact NZ-CB 3.32Å; K46-I101 HydrophobicContact CD-CD1 4.11Å; K46-I101 HydrophobicContact CD-CG1 4.05Å |
| 47 | N | 86.5 | Confident | 89.8 | Confident | 151 Ų | 151 | 77.6 Ų | 77.6 | 81% | 0.807 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 32 | 179.5 | -61.5 | -61.2 | 0 | 0 | 0 | 114.7 | A43 K44 E45 | A43-N47 PolarHBondContact O-N 3.31Å; K44-N47 PolarHBondContact O-N 3.2Å; E45-N47 VanDerWaalsContact C-N 3.32Å |
| 48 | L | 85.6 | Confident | 90 | Very high | 24 Ų | 24 | 77.6 Ų | 77.6 | 13% | 0.126 | 39% | 0.388 | C | S | . | . | trans | -80.6 | 145.7 | 176.9 | -59.8 | -178.2 | 0 | 0 | 0 | 111.5 | A43 K46 V50 I97 I101 | A43-L48 HydrophobicContact CB-CB 4.43Å; A43-L48 HydrophobicContact CB-CD1 4.49Å; A43-L48 WeakPolarHBondContact O-CB 3.36Å; A43-L48 PolarHBondContact O-N 2.95Å; K46-L48 HydrophobicContact CB-CG 4.25Å; K46-L48 PolarHBondContact O-N 3.03Å; L48-V50 PolarHBondContact O-N 2.89Å; L48-I97 HydrophobicContact CD1-CG2 3.83Å; L48-I97 HydrophobicContact CD2-CD1 4.41Å; L48-I97 HydrophobicContact CD2-CG2 4.4Å; L48-I97 HydrophobicContact CG-CG2 4.45Å; L48-I101 HydrophobicContact CD1-CD1 3.74Å | ||
| 49 | K | 86.9 | Confident | 90.3 | Very high | 167 Ų | 167 | 82.6 Ų | 82.6 | 73% | 0.726 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 106.3 | 171.3 | -70.9 | -176.7 | -179.5 | 177 | 0 | 109.4 | H92 | K49-H92 PolarHBondContact O-N 2.76Å |
| 50 | V | 89.7 | Confident | 90.5 | Very high | 42 Ų | 42 | 86 Ų | 86 | 26% | 0.255 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 123.1 | 178.4 | -177 | 0 | 0 | 0 | 0 | 109.8 | A43 L48 I89 L91 | A43-V50 HydrophobicContact CB-CG2 3.4Å; L48-V50 PolarHBondContact O-N 2.89Å; V50-I89 HydrophobicContact CG1-CG2 3.96Å; V50-L91 HydrophobicContact CB-CD2 4.05Å; V50-L91 HydrophobicContact CG1-CD2 3.99Å; V50-L91 HydrophobicContact CG2-CD2 3.64Å |
| 51 | K | 88.9 | Confident | 90.7 | Very high | 134 Ų | 134 | 88.8 Ų | 88.8 | 58% | 0.583 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 107 | 162.8 | -175.3 | 178.1 | -176 | -178.4 | 0 | 107.6 | D90 | K51-D90 HydrophobicContact CB-CB 4Å; K51-D90 HydrophobicContact CD-CB 4.43Å; K51-D90 PolarHBondContact N-O 3.19Å; K51-D90 PolarHBondContact O-N 2.79Å; K51-D90 VanDerWaalsContact O-N 3.17Å |
| 52 | G | 75.1 | Confident | 91 | Very high | 36 Ų | 36 | 89.7 Ų | 89.7 | 37% | 0.371 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 172.4 | -160.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | V54 | G52-V54 PolarHBondContact O-N 2.88Å; G52-V54 VanDerWaalsContact O-N 3.08Å |
| 53 | P | 89.8 | Confident | 91.3 | Very high | 45 Ų | 45 | 94.4 Ų | 94.4 | 29% | 0.292 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 109.8 | -155.3 | 27.5 | -35.1 | 0 | 0 | 0 | 111.8 | C36 I40 R55 L88 I89 | C36-P53 WeakPolarHBondContact SG-CB 3.42Å; I40-P53 HydrophobicContact CD1-CB 4.34Å; I40-P53 HydrophobicContact CD1-CG 3.73Å; P53-R55 PolarHBondContact O-N 2.84Å; P53-L88 CarbonylContact C-O 3.48Å; P53-L88 VanDerWaalsContact CA-O 3.26Å; P53-L88 WeakPolarHBondContact CA-O 3.33Å; P53-I89 HydrophobicContact CB-CG1 4.23Å |
| 54 | V | 94.6 | Very high | 91.6 | Very high | 69 Ų | 69 | 98.4 Ų | 98.4 | 42% | 0.418 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 117.1 | 173.8 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | G52 M56 R87 L88 | G52-V54 PolarHBondContact O-N 2.88Å; G52-V54 VanDerWaalsContact O-N 3.08Å; V54-M56 PolarHBondContact O-N 3.39Å; V54-R87 WeakPolarHBondContact O-CA 3.11Å; V54-L88 HydrophobicContact CB-CB 4.3Å; V54-L88 PolarHBondContact N-O 2.8Å; V54-L88 PolarHBondContact O-N 2.83Å |
| 55 | R | 95.3 | Very high | 91.8 | Very high | 148 Ų | 148 | 94.5 Ų | 94.5 | 56% | 0.558 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 108 | 176 | -66.1 | -167.8 | 155.8 | 73.3 | -4 | 108.6 | E33 P53 R87 | E33-R55 IonicContact OE1-NH2 3.29Å; E33-R55 PolarHBondContact OE1-NH2 3.37Å; P53-R55 PolarHBondContact O-N 2.84Å; R55-R87 VanDerWaalsContact CD-NH1 3.3Å; R55-R87 VanDerWaalsContact NE-CZ 3.27Å; R55-R87 VanDerWaalsContact NE-NH2 3.15Å |
| 56 | M | 95 | Very high | 91.9 | Very high | 74 Ų | 74 | 92.1 Ų | 92.1 | 37% | 0.365 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 151.6 | 172.6 | -68.5 | -60.8 | -71.7 | 0 | 0 | 110.1 | V54 T58 K86 L88 | V54-M56 PolarHBondContact O-N 3.39Å; M56-T58 PolarHBondContact O-N 3.41Å; M56-K86 HydrophobicContact CB-CB 3.9Å; M56-K86 HydrophobicContact CB-CD 4.33Å; M56-K86 HydrophobicContact CB-CG 4.05Å; M56-K86 HydrophobicContact CG-CD 4.32Å; M56-K86 HydrophobicContact CG-CG 4.18Å; M56-K86 PolarHBondContact N-O 2.98Å; M56-L88 HydrophobicContact CG-CD1 3.69Å; M56-L88 HydrophobicContact CG-CG 3.81Å; M56-L88 HydrophobicContact SD-CD1 3.72Å; M56-L88 HydrophobicContact SD-CG 4.47Å |
| 57 | P | 96.4 | Very high | 92.2 | Very high | 104 Ų | 104 | 94.3 Ų | 94.3 | 68% | 0.675 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -51.4 | 134.4 | 174.4 | -27.5 | 35.4 | 0 | 0 | 0 | 111.7 | K59 | P57-K59 PolarHBondContact O-N 2.74Å |
| 58 | T | 96.2 | Very high | 92.4 | Very high | 56 Ų | 56 | 88.7 Ų | 88.7 | 34% | 0.344 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 123.7 | 178.8 | -62 | 0 | 0 | 0 | 0 | 109 | M56 R83 I84 H85 | M56-T58 PolarHBondContact O-N 3.41Å; T58-R83 HydrophobicContact CG2-CB 3.88Å; T58-R83 HydrophobicContact CG2-CG 4.43Å; T58-I84 WeakPolarHBondContact CA-O 3.42Å; T58-I84 WeakPolarHBondContact CG2-O 3.41Å; T58-H85 VanDerWaalsContact CG2-CE1 3.41Å; T58-H85 WeakPolarHBondContact CG2-CE1 3.43Å; T58-H85 WeakPolarHBondContact CG2-ND1 3.36Å; T58-H85 PolarHBondContact OG1-ND1 3.06Å |
| 59 | K | 95.4 | Very high | 92.7 | Very high | 148 Ų | 148 | 94.1 Ų | 94.1 | 64% | 0.643 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 127.2 | 175.5 | -64.9 | -174.8 | 178.6 | -175.9 | 0 | 109.1 | P57 R83 I84 | P57-K59 PolarHBondContact O-N 2.74Å; K59-R83 WeakPolarHBondContact O-CA 3.41Å; K59-I84 HydrophobicContact CB-CB 4.46Å; K59-I84 PolarHBondContact N-O 2.99Å; K59-I84 PolarHBondContact O-N 3.45Å |
| 60 | T | 96.1 | Very high | 92.7 | Very high | 79 Ų | 79 | 89.7 Ų | 89.7 | 49% | 0.485 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 107.9 | 174.4 | 56.9 | 0 | 0 | 0 | 0 | 109.5 | R83 | T60-R83 HydrophobicContact CG2-CG 4.33Å |
| 61 | L | 95.2 | Very high | 92.5 | Very high | 90 Ų | 90 | 90.5 Ų | 90.5 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 123.9 | 171 | -57.1 | -179.6 | 0 | 0 | 0 | 108.3 | Q81 M82 I84 | L61-Q81 WeakPolarHBondContact O-CA 3.24Å; L61-M82 HydrophobicContact CB-CB 4.33Å; L61-M82 PolarHBondContact N-O 3.09Å; L61-M82 PolarHBondContact O-N 2.91Å; L61-I84 HydrophobicContact CD1-CD1 3.67Å; L61-I84 HydrophobicContact CD1-CG1 4.49Å; L61-I84 HydrophobicContact CG-CD1 4.3Å |
| 62 | R | 96.5 | Very high | 92.2 | Very high | 155 Ų | 155 | 93 Ų | 93 | 59% | 0.585 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127 | -176.8 | -61.7 | 178 | 63.8 | 151.9 | -3.2 | 108.6 | F80 Q81 | R62-F80 WeakPolarHBondContact CA-O 3.42Å; R62-Q81 HydrophobicContact CG-CG 4.24Å |
| 63 | I | 96.5 | Very high | 92.6 | Very high | 111 Ų | 111 | 92.4 Ų | 92.4 | 57% | 0.569 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 128.1 | 173.4 | -61 | 176.4 | 0 | 0 | 0 | 107 | T65 F80 | I63-T65 HydrophobicContact CG2-CG2 3.95Å; I63-F80 PolarHBondContact N-O 3.18Å; I63-F80 PolarHBondContact O-N 3.41Å |
| 64 | T | 96.1 | Very high | 92.5 | Very high | 85 Ų | 85 | 93.8 Ų | 93.8 | 52% | 0.521 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.5 | 174.2 | 55.9 | 0 | 0 | 0 | 0 | 109.1 | D78 R79 | T64-D78 VanDerWaalsContact CA-O 3.27Å; T64-D78 WeakPolarHBondContact CA-O 3.37Å; T64-R79 HydrophobicContact CG2-CG 4.05Å |
| 65 | T | 94 | Very high | 92.3 | Very high | 61 Ų | 61 | 99.4 Ų | 99.4 | 37% | 0.374 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 148.1 | 178.8 | 48.7 | 0 | 0 | 0 | 0 | 109.8 | I63 W77 D78 | I63-T65 HydrophobicContact CG2-CG2 3.95Å; T65-W77 CarbonylContact O-C 3.57Å; T65-W77 WeakPolarHBondContact O-CA 3.38Å; T65-D78 PolarHBondContact N-O 2.98Å; T65-D78 VanDerWaalsContact N-O 3.16Å; T65-D78 PolarHBondContact O-N 3.34Å |
| 66 | R | 92.7 | Very high | 92.2 | Very high | 82 Ų | 82 | 95.1 Ų | 95.1 | 31% | 0.309 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 137.9 | 169.6 | -167.9 | 177.3 | -179.9 | 177.5 | -2.2 | 108.2 | T68 G71 G73 W77 | R66-T68 VanDerWaalsContact C-N 3.32Å; R66-T68 PolarHBondContact NE-OG1 3.45Å; R66-G71 PolarHBondContact NH2-O 3.03Å; R66-G73 PolarHBondContact NH2-O 3.32Å; R66-W77 HydrophobicContact CB-CD2 4.49Å; R66-W77 HydrophobicContact CB-CE3 4.1Å; R66-W77 HydrophobicContact CB-CH2 4.33Å; R66-W77 HydrophobicContact CB-CZ3 4.02Å |
| 67 | K | 93.4 | Very high | 92.1 | Very high | 119 Ų | 119 | 99 Ų | 99 | 52% | 0.517 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -64.5 | -40 | 177.2 | -72.4 | -168.1 | 168.3 | -177.3 | 0 | 112 | T76 D78 | K67-T76 PolarHBondContact N-O 2.93Å; K67-D78 WeakPolarHBondContact CE-OD1 3.49Å; K67-D78 WeakPolarHBondContact CE-OD2 3.42Å; K67-D78 WeakPolarHBondContact CG-OD2 3.22Å; K67-D78 IonicContact NZ-OD1 3.74Å; K67-D78 PolarHBondContact NZ-OD1 2.75Å |
| 68 | T | 91.1 | Very high | 92.1 | Very high | 34 Ų | 34 | 96.6 Ų | 96.6 | 21% | 0.209 | 51% | 0.509 | C | S | . | . | trans | -89.5 | 137.6 | -177 | 57.7 | 0 | 0 | 0 | 0 | 111.4 | R66 C70 | R66-T68 VanDerWaalsContact C-N 3.32Å; R66-T68 PolarHBondContact NE-OG1 3.45Å; T68-C70 PolarHBondContact OG1-O 3.49Å | ||
| 69 | P | 91.6 | Very high | 92.1 | Very high | 138 Ų | 138 | 103 Ų | 103 | 90% | 0.896 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -76.4 | -21.1 | 177.2 | 30.9 | -35.2 | 0 | 0 | 0 | 113.2 | ||
| 70 | C | 87.5 | Confident | 92.1 | Very high | 73 Ų | 73 | 101.7 Ų | 101.7 | 49% | 0.493 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -107.4 | 163.7 | -176.6 | 61.3 | 0 | 0 | 0 | 0 | 113.7 | T68 | T68-C70 PolarHBondContact OG1-O 3.49Š|
| 71 | G | 84.2 | Confident | 92.1 | Very high | 59 Ų | 59 | 102.8 Ų | 102.8 | 61% | 0.608 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -38.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R66 G73 | R66-G71 PolarHBondContact NH2-O 3.03Å; G71-G73 PolarHBondContact O-N 3.06Å; G71-G73 VanDerWaalsContact O-N 3.17Å |
| 72 | E | 83.2 | Confident | 92.1 | Very high | 188 Ų | 188 | 102.5 Ų | 102.5 | 88% | 0.879 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 14.5 | -175.1 | -64.6 | -57.8 | 144.9 | 0 | 0 | 114.7 | ||
| 73 | G | 83.2 | Confident | 92.1 | Very high | 22 Ų | 22 | 102 Ų | 102 | 23% | 0.227 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -91.3 | 168.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R66 G71 | R66-G73 PolarHBondContact NH2-O 3.32Å; G71-G73 PolarHBondContact O-N 3.06Å; G71-G73 VanDerWaalsContact O-N 3.17Å |
| 74 | S | 88.4 | Confident | 92 | Very high | 74 Ų | 74 | 99.1 Ų | 99.1 | 52% | 0.517 | 50% | 0.502 | S | S | . | . | trans | -56.4 | 142.8 | 170.2 | 70.3 | 0 | 0 | 0 | 0 | 111.6 | T76 | S74-T76 PolarHBondContact O-N 3.41Å; S74-T76 PolarHBondContact OG-OG1 3.19Å; S74-T76 VanDerWaalsContact OG-OG1 3.08Å | ||
| 75 | K | 90 | Very high | 92 | Very high | 187 Ų | 187 | 96.1 Ų | 96.1 | 81% | 0.813 | 48% | 0.482 | S | S | * | . | trans | -78.9 | 50 | -179.6 | -62.5 | -179.8 | -177.4 | 176.7 | 0 | 111.8 | ||||
| 76 | T | 93.4 | Very high | 92 | Very high | 59 Ų | 59 | 96.5 Ų | 96.5 | 36% | 0.362 | 48% | 0.479 | S | S | . | . | trans | -100.3 | 143.3 | -179.8 | 55.7 | 0 | 0 | 0 | 0 | 111.3 | K67 S74 | K67-T76 PolarHBondContact N-O 2.93Å; S74-T76 PolarHBondContact O-N 3.41Å; S74-T76 PolarHBondContact OG-OG1 3.19Å; S74-T76 VanDerWaalsContact OG-OG1 3.08Å | ||
| 77 | W | 94.1 | Very high | 92.1 | Very high | 155 Ų | 155 | 93.5 Ų | 93.5 | 59% | 0.587 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 135.7 | -172.4 | -61 | 81.9 | 0 | 0 | 0 | 110.5 | T65 R66 | T65-W77 CarbonylContact O-C 3.57Å; T65-W77 WeakPolarHBondContact O-CA 3.38Å; R66-W77 HydrophobicContact CB-CD2 4.49Å; R66-W77 HydrophobicContact CB-CE3 4.1Å; R66-W77 HydrophobicContact CB-CH2 4.33Å; R66-W77 HydrophobicContact CB-CZ3 4.02Å |
| 78 | D | 94.9 | Very high | 92.1 | Very high | 54 Ų | 54 | 88.8 Ų | 88.8 | 29% | 0.289 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 146.9 | 167.4 | -79.2 | -38.4 | 0 | 0 | 0 | 110.8 | T64 T65 K67 F80 | T64-D78 VanDerWaalsContact CA-O 3.27Å; T64-D78 WeakPolarHBondContact CA-O 3.37Å; T65-D78 PolarHBondContact N-O 2.98Å; T65-D78 VanDerWaalsContact N-O 3.16Å; T65-D78 PolarHBondContact O-N 3.34Å; K67-D78 WeakPolarHBondContact CE-OD1 3.49Å; K67-D78 WeakPolarHBondContact CE-OD2 3.42Å; K67-D78 WeakPolarHBondContact CG-OD2 3.22Å; K67-D78 IonicContact NZ-OD1 3.74Å; K67-D78 PolarHBondContact NZ-OD1 2.75Å; D78-F80 HydrophobicContact CB-CD2 4.06Å; D78-F80 HydrophobicContact CB-CE2 3.39Å; D78-F80 HydrophobicContact CB-CZ 3.7Å |
| 79 | R | 96 | Very high | 92.2 | Very high | 189 Ų | 189 | 87.3 Ų | 87.3 | 71% | 0.713 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 85.5 | 179.7 | -61.5 | -176.4 | 175.9 | -179.5 | -1 | 109 | T64 | T64-R79 HydrophobicContact CG2-CG 4.05Å |
| 80 | F | 96.4 | Very high | 92.3 | Very high | 122 Ų | 122 | 82 Ų | 82 | 54% | 0.535 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 138 | 177.1 | -61.2 | -74.6 | 0 | 0 | 0 | 110.5 | R62 I63 D78 | R62-F80 WeakPolarHBondContact CA-O 3.42Å; I63-F80 PolarHBondContact N-O 3.18Å; I63-F80 PolarHBondContact O-N 3.41Å; D78-F80 HydrophobicContact CB-CD2 4.06Å; D78-F80 HydrophobicContact CB-CE2 3.39Å; D78-F80 HydrophobicContact CB-CZ 3.7Å |
| 81 | Q | 95.4 | Very high | 92.4 | Very high | 102 Ų | 102 | 78.8 Ų | 78.8 | 48% | 0.477 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 137 | 175.7 | -60.6 | -166.5 | -2.9 | 0 | 0 | 110.6 | L61 R62 | L61-Q81 WeakPolarHBondContact O-CA 3.24Å; R62-Q81 HydrophobicContact CG-CG 4.24Å |
| 82 | M | 95.1 | Very high | 92.5 | Very high | 84 Ų | 84 | 79.6 Ų | 79.6 | 41% | 0.414 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.9 | 166.5 | -174.6 | -177.8 | -65.3 | 0 | 0 | 108.7 | R27 L61 | R27-M82 WeakPolarHBondContact CD-SD 3.48Å; R27-M82 HydrophobicContact CG-CG 4.23Å; R27-M82 HydrophobicContact CG-SD 4.14Å; L61-M82 HydrophobicContact CB-CB 4.33Å; L61-M82 PolarHBondContact N-O 3.09Å; L61-M82 PolarHBondContact O-N 2.91Å |
| 83 | R | 95.8 | Very high | 92.6 | Very high | 143 Ų | 143 | 70.7 Ų | 70.7 | 54% | 0.54 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 128.6 | 176 | -64.5 | -173.4 | 179.6 | -175.3 | -0.2 | 108.8 | R27 T58 K59 T60 | R27-R83 WeakPolarHBondContact CA-O 3.41Å; T58-R83 HydrophobicContact CG2-CB 3.88Å; T58-R83 HydrophobicContact CG2-CG 4.43Å; K59-R83 WeakPolarHBondContact O-CA 3.41Å; T60-R83 HydrophobicContact CG2-CG 4.33Å |
| 84 | I | 95.8 | Very high | 92.7 | Very high | 51 Ų | 51 | 70.7 Ų | 70.7 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 115.6 | 174.4 | -60.6 | 173.5 | 0 | 0 | 0 | 107.4 | T58 K59 L61 | T58-I84 WeakPolarHBondContact CA-O 3.42Å; T58-I84 WeakPolarHBondContact CG2-O 3.41Å; K59-I84 HydrophobicContact CB-CB 4.46Å; K59-I84 PolarHBondContact N-O 2.99Å; K59-I84 PolarHBondContact O-N 3.45Å; L61-I84 HydrophobicContact CD1-CD1 3.67Å; L61-I84 HydrophobicContact CD1-CG1 4.49Å; L61-I84 HydrophobicContact CG-CD1 4.3Å |
| 85 | H | 95.6 | Very high | 92.5 | Very high | 23 Ų | 23 | 69.1 Ų | 69.1 | 11% | 0.106 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 130 | 178.1 | -59.2 | -75.2 | 0 | 0 | 0 | 109.1 | T25 S26 V29 L32 T58 | T25-H85 WeakPolarHBondContact CA-O 3.35Å; S26-H85 PolarHBondContact N-O 3.23Å; S26-H85 PolarHBondContact O-N 3.49Å; V29-H85 VanDerWaalsContact CG2-CD2 3.42Å; V29-H85 WeakPolarHBondContact CG2-CD2 3.47Å; V29-H85 WeakPolarHBondContact CG2-NE2 3.45Å; L32-H85 HydrophobicContact CD2-CB 3.47Å; L32-H85 VanDerWaalsContact CD2-CB 3.47Å; T58-H85 VanDerWaalsContact CG2-CE1 3.41Å; T58-H85 WeakPolarHBondContact CG2-CE1 3.43Å; T58-H85 WeakPolarHBondContact CG2-ND1 3.36Å; T58-H85 PolarHBondContact OG1-ND1 3.06Å |
| 86 | K | 95 | Very high | 92.3 | Very high | 69 Ų | 69 | 65.3 Ų | 65.3 | 30% | 0.3 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133.1 | -179.6 | -175.6 | 173.6 | -164.6 | 174.9 | 0 | 110.4 | T23 L24 T25 M56 | T23-K86 HydrophobicContact CG2-CD 4.28Å; T23-K86 HydrophobicContact CG2-CG 4.25Å; L24-K86 CarbonylContact O-C 3.55Å; L24-K86 VanDerWaalsContact O-CA 3.29Å; L24-K86 WeakPolarHBondContact O-CA 3.29Å; T25-K86 HydrophobicContact CG2-CB 4.08Å; T25-K86 HydrophobicContact CG2-CD 4.18Å; T25-K86 HydrophobicContact CG2-CG 3.87Å; M56-K86 HydrophobicContact CB-CB 3.9Å; M56-K86 HydrophobicContact CB-CD 4.33Å; M56-K86 HydrophobicContact CB-CG 4.05Å; M56-K86 HydrophobicContact CG-CD 4.32Å; M56-K86 HydrophobicContact CG-CG 4.18Å; M56-K86 PolarHBondContact N-O 2.98Å |
| 87 | R | 94.9 | Very high | 91.9 | Very high | 19 Ų | 19 | 64.8 Ų | 64.8 | 7% | 0.072 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 142.1 | 173.4 | -53 | -62.1 | -173.6 | -147.5 | 7.7 | 108.8 | L24 L32 E33 V54 R55 | L24-R87 HydrophobicContact CB-CB 4.29Å; L24-R87 HydrophobicContact CD1-CB 4.48Å; L24-R87 PolarHBondContact N-O 3.38Å; L24-R87 PolarHBondContact O-N 3.26Å; L32-R87 HydrophobicContact CD1-CG 4.27Å; L32-R87 HydrophobicContact CD2-CG 3.84Å; L32-R87 HydrophobicContact CG-CG 3.92Å; E33-R87 IonicContact OE1-NH2 3.8Å; V54-R87 WeakPolarHBondContact O-CA 3.11Å; R55-R87 VanDerWaalsContact CD-NH1 3.3Å; R55-R87 VanDerWaalsContact NE-CZ 3.27Å; R55-R87 VanDerWaalsContact NE-NH2 3.15Å |
| 88 | L | 93.5 | Very high | 91.6 | Very high | 20 Ų | 20 | 57.6 Ų | 57.6 | 11% | 0.105 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 134.7 | 174.9 | -59.2 | 176.9 | 0 | 0 | 0 | 109.2 | R21 I22 T23 P53 V54 M56 | R21-L88 HydrophobicContact CG-CD2 4.39Å; I22-L88 CarbonylContact O-C 3.55Å; I22-L88 WeakPolarHBondContact O-CA 3.45Å; T23-L88 HydrophobicContact CG2-CD2 4.05Å; T23-L88 WeakPolarHBondContact OG1-CD2 3.45Å; P53-L88 CarbonylContact C-O 3.48Å; P53-L88 VanDerWaalsContact CA-O 3.26Å; P53-L88 WeakPolarHBondContact CA-O 3.33Å; V54-L88 HydrophobicContact CB-CB 4.3Å; V54-L88 PolarHBondContact N-O 2.8Å; V54-L88 PolarHBondContact O-N 2.83Å; M56-L88 HydrophobicContact CG-CD1 3.69Å; M56-L88 HydrophobicContact CG-CG 3.81Å; M56-L88 HydrophobicContact SD-CD1 3.72Å; M56-L88 HydrophobicContact SD-CG 4.47Å |
| 89 | I | 93 | Very high | 91.1 | Very high | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 123.3 | 172.6 | -57.2 | 172.6 | 0 | 0 | 0 | 106.6 | I22 L24 L39 I40 V50 P53 L91 | I22-I89 HydrophobicContact CB-CB 4.38Å; I22-I89 PolarHBondContact N-O 3.39Å; I22-I89 PolarHBondContact O-N 3.37Å; L24-I89 HydrophobicContact CD1-CD1 4.18Å; L39-I89 HydrophobicContact CB-CD1 4.25Å; L39-I89 HydrophobicContact CD1-CD1 4.33Å; I40-I89 HydrophobicContact CG1-CD1 4.29Å; V50-I89 HydrophobicContact CG1-CG2 3.96Å; P53-I89 HydrophobicContact CB-CG1 4.23Å; I89-L91 HydrophobicContact CG2-CD2 4.06Å; I89-L91 HydrophobicContact CG2-CG 4.31Å |
| 90 | D | 92 | Very high | 90.6 | Very high | 26 Ų | 26 | 56.2 Ų | 56.2 | 14% | 0.139 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 130.2 | 177.9 | -73.4 | -21.9 | 0 | 0 | 0 | 108.9 | I20 R21 K51 | I20-D90 WeakPolarHBondContact O-CA 3.46Å; R21-D90 WeakPolarHBondContact CB-OD1 3.46Å; R21-D90 WeakPolarHBondContact CG-OD1 3.42Å; R21-D90 IonicContact CZ-OD1 2.74Å; R21-D90 IonicContact CZ-OD2 3.3Å; R21-D90 IonicContact NE-OD1 3.94Å; R21-D90 PolarHBondContact NE-OD1 3.02Å; R21-D90 IonicContact NE-OD2 3.57Å; R21-D90 IonicContact NH2-OD1 2.75Å; R21-D90 PolarHBondContact NH2-OD1 3.02Å; R21-D90 IonicContact NH2-OD2 2.75Å; R21-D90 PolarHBondContact NH2-OD2 2.88Å; K51-D90 HydrophobicContact CB-CB 4Å; K51-D90 HydrophobicContact CD-CB 4.43Å; K51-D90 PolarHBondContact N-O 3.19Å; K51-D90 PolarHBondContact O-N 2.79Å; K51-D90 VanDerWaalsContact O-N 3.17Å |
| 91 | L | 89.9 | Confident | 90.1 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 144.4 | -178.5 | -60.5 | 179.3 | 0 | 0 | 0 | 110.6 | I20 I22 A43 V50 I89 V98 | I20-L91 PolarHBondContact N-O 2.85Å; I20-L91 PolarHBondContact O-N 2.83Å; I22-L91 HydrophobicContact CD1-CD1 3.59Å; I22-L91 HydrophobicContact CD1-CG 4.46Å; I22-L91 HydrophobicContact CG1-CD1 4.39Å; A43-L91 HydrophobicContact CB-CD2 4.27Å; V50-L91 HydrophobicContact CB-CD2 4.05Å; V50-L91 HydrophobicContact CG1-CD2 3.99Å; V50-L91 HydrophobicContact CG2-CD2 3.64Å; I89-L91 HydrophobicContact CG2-CD2 4.06Å; I89-L91 HydrophobicContact CG2-CG 4.31Å; L91-V98 HydrophobicContact CD1-CG2 4.15Å |
| 92 | H | 87.4 | Confident | 89.6 | Confident | 76 Ų | 76 | 47.3 Ų | 47.3 | 35% | 0.352 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 97.9 | 167.6 | -66.6 | -76.6 | 0 | 0 | 0 | 108.6 | K49 | K49-H92 PolarHBondContact O-N 2.76Å |
| 93 | S | 83.9 | Confident | 88.8 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 159.2 | -173.3 | 56.6 | 0 | 0 | 0 | 0 | 111.3 | H18 I20 V98 | H18-S93 PolarHBondContact N-O 3.41Å; H18-S93 PolarHBondContact O-N 2.86Å; I20-S93 WeakPolarHBondContact CD1-O 3.28Å; S93-V98 WeakPolarHBondContact OG-CG2 3.45Å |
| 94 | P | 85.9 | Confident | 87.8 | Confident | 22 Ų | 22 | 46.9 Ų | 46.9 | 14% | 0.143 | 24% | 0.239 | C | C | . | . | trans | -60.1 | 149.7 | 165.5 | 24.3 | -32.7 | 0 | 0 | 0 | 112.2 | V15 E96 I97 | V15-P94 HydrophobicContact CG1-CB 3.25Å; V15-P94 HydrophobicContact CG1-CG 3.57Å; P94-E96 PolarHBondContact O-N 3.5Å; P94-I97 HydrophobicContact CG-CB 4.38Å; P94-I97 HydrophobicContact CG-CD1 3.58Å; P94-I97 HydrophobicContact CG-CG1 3.84Å; P94-I97 PolarHBondContact O-N 2.98Å | ||
| 95 | S | 84.4 | Confident | 86.6 | Confident | 40 Ų | 40 | 45.2 Ų | 45.2 | 28% | 0.28 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.3 | -32.3 | -178.1 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | V98 K99 | S95-V98 PolarHBondContact O-N 2.67Å; S95-K99 WeakPolarHBondContact O-CG 3.45Å; S95-K99 PolarHBondContact O-N 3.18Å |
| 96 | E | 85.5 | Confident | 85.6 | Confident | 107 Ų | 107 | 50 Ų | 50 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.2 | -43 | -177.1 | -168.4 | 55.9 | -152.5 | 0 | 0 | 112.9 | P94 V98 K99 Q100 | P94-E96 PolarHBondContact O-N 3.5Å; E96-V98 VanDerWaalsContact C-N 3.29Å; E96-V98 PolarHBondContact O-N 3.4Å; E96-K99 PolarHBondContact O-N 3.08Å; E96-K99 IonicContact OE2-NZ 3.4Å; E96-Q100 PolarHBondContact O-N 2.86Å |
| 97 | I | 86.1 | Confident | 84.9 | Confident | 49 Ų | 49 | 49.8 Ų | 49.8 | 25% | 0.251 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.2 | -35.9 | 179.3 | -59.7 | 178.5 | 0 | 0 | 0 | 110.6 | K46 L48 P94 Q100 I101 | K46-I97 HydrophobicContact CB-CG2 4.36Å; K46-I97 HydrophobicContact CD-CG2 3.44Å; K46-I97 VanDerWaalsContact CD-CG2 3.44Å; L48-I97 HydrophobicContact CD1-CG2 3.83Å; L48-I97 HydrophobicContact CD2-CD1 4.41Å; L48-I97 HydrophobicContact CD2-CG2 4.4Å; L48-I97 HydrophobicContact CG-CG2 4.45Å; P94-I97 HydrophobicContact CG-CB 4.38Å; P94-I97 HydrophobicContact CG-CD1 3.58Å; P94-I97 HydrophobicContact CG-CG1 3.84Å; P94-I97 PolarHBondContact O-N 2.98Å; I97-Q100 PolarHBondContact O-N 3.44Å; I97-I101 HydrophobicContact CG2-CD1 4.17Å; I97-I101 WeakPolarHBondContact O-CG1 3.42Å; I97-I101 PolarHBondContact O-N 3.27Å |
| 98 | V | 86.2 | Confident | 84.5 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 178.5 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | I20 I22 L91 S93 S95 E96 Q100 I101 T102 V114 | I20-V98 HydrophobicContact CD1-CB 4.19Å; I20-V98 HydrophobicContact CD1-CG2 3.53Å; I20-V98 HydrophobicContact CG2-CG1 4.25Å; I20-V98 HydrophobicContact CG2-CG2 4.5Å; I22-V98 HydrophobicContact CD1-CG1 4.07Å; L91-V98 HydrophobicContact CD1-CG2 4.15Å; S93-V98 WeakPolarHBondContact OG-CG2 3.45Å; S95-V98 PolarHBondContact O-N 2.67Å; E96-V98 VanDerWaalsContact C-N 3.29Å; E96-V98 PolarHBondContact O-N 3.4Å; V98-Q100 PolarHBondContact O-N 3.32Å; V98-I101 PolarHBondContact O-N 2.83Å; V98-T102 HydrophobicContact CG1-CG2 4.13Å; V98-T102 PolarHBondContact O-N 2.88Å; V98-T102 PolarHBondContact O-OG1 2.9Å; V98-T102 VanDerWaalsContact O-OG1 3.09Å; V98-V114 HydrophobicContact CG1-CG1 4.29Å |
| 99 | K | 85.5 | Confident | 84.1 | Confident | 125 Ų | 125 | 55.9 Ų | 55.9 | 54% | 0.543 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -54.8 | -42.6 | 177.9 | -70.9 | 174.6 | -174.8 | 172 | 0 | 111.9 | S95 E96 T102 S103 | S95-K99 WeakPolarHBondContact O-CG 3.45Å; S95-K99 PolarHBondContact O-N 3.18Å; E96-K99 PolarHBondContact O-N 3.08Å; E96-K99 IonicContact OE2-NZ 3.4Å; K99-T102 WeakPolarHBondContact CA-OG1 3.35Å; K99-T102 PolarHBondContact O-N 2.82Å; K99-T102 PolarHBondContact O-OG1 3.21Å; K99-S103 PolarHBondContact O-N 3.01Å; K99-S103 PolarHBondContact O-OG 2.9Å |
| 100 | Q | 85.4 | Confident | 84 | Confident | 90 Ų | 90 | 56.3 Ų | 56.3 | 42% | 0.421 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.1 | -35.5 | 177.9 | -65.5 | 174.4 | 1.6 | 0 | 0 | 113.6 | K46 E96 I97 V98 S103 I104 | K46-Q100 VanDerWaalsContact NZ-CB 3.32Å; E96-Q100 PolarHBondContact O-N 2.86Å; I97-Q100 PolarHBondContact O-N 3.44Å; V98-Q100 PolarHBondContact O-N 3.32Å; Q100-S103 PolarHBondContact O-OG 3.01Å; Q100-I104 WeakPolarHBondContact O-CD1 3.45Å |
| 101 | I | 85.5 | Confident | 84 | Confident | 10 Ų | 10 | 61.7 Ų | 61.7 | 5% | 0.051 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -73.1 | -41.9 | 178.6 | -64.2 | 166.8 | 0 | 0 | 0 | 109.5 | L39 A43 K46 L48 I97 V98 S103 I104 | L39-I101 HydrophobicContact CD2-CG2 3.67Å; A43-I101 HydrophobicContact CB-CD1 4.3Å; K46-I101 HydrophobicContact CD-CD1 4.11Å; K46-I101 HydrophobicContact CD-CG1 4.05Å; L48-I101 HydrophobicContact CD1-CD1 3.74Å; I97-I101 HydrophobicContact CG2-CD1 4.17Å; I97-I101 WeakPolarHBondContact O-CG1 3.42Å; I97-I101 PolarHBondContact O-N 3.27Å; V98-I101 PolarHBondContact O-N 2.83Å; I101-S103 VanDerWaalsContact C-N 3.32Å; I101-S103 PolarHBondContact O-N 2.89Å; I101-I104 PolarHBondContact O-N 3.47Å |
| 102 | T | 84.8 | Confident | 84 | Confident | 26 Ų | 26 | 64 Ų | 64 | 16% | 0.16 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.6 | -28 | -176.9 | 50.2 | 0 | 0 | 0 | 0 | 113.9 | I22 V98 K99 I104 I106 V114 | I22-T102 HydrophobicContact CD1-CG2 4.2Å; V98-T102 HydrophobicContact CG1-CG2 4.13Å; V98-T102 PolarHBondContact O-N 2.88Å; V98-T102 PolarHBondContact O-OG1 2.9Å; V98-T102 VanDerWaalsContact O-OG1 3.09Å; K99-T102 WeakPolarHBondContact CA-OG1 3.35Å; K99-T102 PolarHBondContact O-N 2.82Å; K99-T102 PolarHBondContact O-OG1 3.21Å; T102-I104 VanDerWaalsContact C-N 3.33Å; T102-I104 PolarHBondContact O-N 3.16Å; T102-I106 WeakPolarHBondContact O-CG1 2.75Å; T102-V114 HydrophobicContact CG2-CG2 4.14Å |
| 103 | S | 79.2 | Confident | 84.1 | Confident | 75 Ų | 75 | 65.6 Ų | 65.6 | 52% | 0.524 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.4 | -27.1 | -179.5 | 57.5 | 0 | 0 | 0 | 0 | 113.5 | K99 Q100 I101 | K99-S103 PolarHBondContact O-N 3.01Å; K99-S103 PolarHBondContact O-OG 2.9Å; Q100-S103 PolarHBondContact O-OG 3.01Å; I101-S103 VanDerWaalsContact C-N 3.32Å; I101-S103 PolarHBondContact O-N 2.89Å |
| 104 | I | 74.4 | Confident | 84.4 | Confident | 143 Ų | 143 | 68.5 Ų | 68.5 | 73% | 0.733 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -78.6 | -27.7 | -175.1 | -63.1 | 167.2 | 0 | 0 | 0 | 111.7 | Q100 I101 T102 | Q100-I104 WeakPolarHBondContact O-CD1 3.45Å; I101-I104 PolarHBondContact O-N 3.47Å; T102-I104 VanDerWaalsContact C-N 3.33Å; T102-I104 PolarHBondContact O-N 3.16Å |
| 105 | S | 70.7 | Confident | 84.7 | Confident | 16 Ų | 16 | 70.7 Ų | 70.7 | 11% | 0.112 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 26 | -166.1 | 69.8 | 0 | 0 | 0 | 0 | 115 | L39 E107 | L39-S105 VanDerWaalsContact CD2-OG 3.22Å; L39-S105 WeakPolarHBondContact CD2-OG 3.44Å; S105-E107 PolarHBondContact O-N 2.84Å |
| 106 | I | 74.8 | Confident | 84.9 | Confident | 125 Ų | 125 | 72.4 Ų | 72.4 | 64% | 0.641 | 40% | 0.396 | S | S | * | . | trans | -78.4 | 87.9 | -179.1 | -54.4 | 173.6 | 0 | 0 | 0 | 109.3 | T102 | T102-I106 WeakPolarHBondContact O-CG1 2.75Š| ||
| 107 | E | 80.2 | Confident | 84.6 | Confident | 63 Ų | 63 | 70 Ų | 70 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | trans | -80.4 | 136.7 | 170.1 | -174 | 77.7 | -142 | 0 | 0 | 109.8 | K34 V35 S105 G109 V110 | K34-E107 IonicContact NZ-OE2 2.97Å; K34-E107 PolarHBondContact NZ-OE2 3.33Å; V35-E107 HydrophobicContact CG2-CB 3.46Å; V35-E107 VanDerWaalsContact CG2-CB 3.46Å; V35-E107 HydrophobicContact CG2-CG 4.39Å; S105-E107 PolarHBondContact O-N 2.84Å; E107-G109 PolarHBondContact O-N 3.08Å; E107-V110 PolarHBondContact O-N 2.88Å | ||
| 108 | P | 85.7 | Confident | 83.7 | Confident | 107 Ų | 107 | 73.5 Ų | 73.5 | 70% | 0.695 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 131.1 | 177.6 | 23.8 | -34.5 | 0 | 0 | 0 | 111.7 | ||
| 109 | G | 85.4 | Confident | 82 | Confident | 60 Ų | 60 | 81.7 Ų | 81.7 | 62% | 0.619 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | 7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S26 E107 | S26-G109 WeakPolarHBondContact CB-O 3.42Å; S26-G109 PolarHBondContact OG-O 3.03Å; E107-G109 PolarHBondContact O-N 3.08Å |
| 110 | V | 90.8 | Very high | 81.8 | Confident | 12 Ų | 12 | 79.6 Ų | 79.6 | 7% | 0.073 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119 | 164.5 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | L24 L32 V35 E107 V112 | L24-V110 HydrophobicContact CB-CG1 4.42Å; L32-V110 HydrophobicContact CD1-CG1 3.91Å; V35-V110 HydrophobicContact CB-CG1 4.48Å; V35-V110 HydrophobicContact CG1-CG1 4.37Å; V35-V110 HydrophobicContact CG2-CB 4.33Å; V35-V110 HydrophobicContact CG2-CG1 4.47Å; V35-V110 HydrophobicContact CG2-CG2 4.02Å; E107-V110 PolarHBondContact O-N 2.88Å; V110-V112 HydrophobicContact CG1-CG2 4.39Å |
| 111 | E | 91.4 | Very high | 81.6 | Confident | 139 Ų | 139 | 79 Ų | 79 | 65% | 0.65 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 132.5 | 172.5 | -72.1 | 167.5 | -174.7 | 0 | 0 | 108.9 | L24 T25 | L24-E111 WeakPolarHBondContact CA-O 3.48Å; T25-E111 PolarHBondContact N-O 2.89Å; T25-E111 PolarHBondContact O-N 2.97Å; T25-E111 VanDerWaalsContact OG1-CB 3.28Å; T25-E111 WeakPolarHBondContact OG1-CB 3.27Å; T25-E111 PolarHBondContact OG1-OE2 3.21Å |
| 112 | V | 91 | Very high | 81.4 | Confident | 55 Ų | 55 | 82.8 Ų | 82.8 | 33% | 0.333 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 118.6 | -179.5 | -174.2 | 0 | 0 | 0 | 0 | 108.3 | I22 T23 L24 V110 V114 | I22-V112 HydrophobicContact CG2-CG1 3.84Å; T23-V112 WeakPolarHBondContact O-CA 3.38Å; L24-V112 HydrophobicContact CD2-CB 4.15Å; L24-V112 HydrophobicContact CD2-CG1 3.83Å; L24-V112 HydrophobicContact CD2-CG2 3.62Å; V110-V112 HydrophobicContact CG1-CG2 4.39Å; V112-V114 HydrophobicContact CG1-CG2 4.45Å |
| 113 | E | 90.4 | Very high | 81.2 | Confident | 108 Ų | 108 | 86.2 Ų | 86.2 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 129 | 175.6 | 174.9 | -175.1 | -160.3 | 0 | 0 | 108.5 | T23 | T23-E113 HydrophobicContact CG2-CB 4.5Å; T23-E113 PolarHBondContact N-O 3.17Å; T23-E113 PolarHBondContact O-N 2.95Å |
| 114 | V | 90.2 | Very high | 81.3 | Confident | 64 Ų | 64 | 86.9 Ų | 86.9 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 116.8 | 179.2 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | I20 I22 V98 T102 V112 | I20-V114 HydrophobicContact CG2-CG1 3.53Å; I22-V114 HydrophobicContact CG1-CG2 4.48Å; V98-V114 HydrophobicContact CG1-CG1 4.29Å; T102-V114 HydrophobicContact CG2-CG2 4.14Å; V112-V114 HydrophobicContact CG1-CG2 4.45Å |
| 115 | T | 90.6 | Very high | 81.8 | Confident | 67 Ų | 67 | 83.1 Ų | 83.1 | 41% | 0.411 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.6 | 175.8 | -46.1 | 0 | 0 | 0 | 0 | 109.1 | R21 | R21-T115 PolarHBondContact N-O 3.5Å; R21-T115 PolarHBondContact O-N 3.33Å |
| 116 | I | 88.9 | Confident | 82.6 | Confident | 77 Ų | 77 | 87.9 Ų | 87.9 | 40% | 0.395 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 119.4 | 172.4 | -55.7 | 175.7 | 0 | 0 | 0 | 106.4 | H18 I20 D118 | H18-I116 HydrophobicContact CB-CG2 3.76Å; I20-I116 HydrophobicContact CG1-CG1 4.28Å; I116-D118 PolarHBondContact O-N 2.88Å |
| 117 | A | 79.9 | Confident | 83.2 | Confident | 57 Ų | 57 | 85.1 Ų | 85.1 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 105.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | R19 | R19-A117 HydrophobicContact CB-CB 4.38Å; R19-A117 PolarHBondContact O-N 3.03Å |
| 118 | D | 67.7 | Low | 83.4 | Confident | 121 Ų | 121 | 86.9 Ų | 86.9 | 65% | 0.647 | 55% | 0.553 | S | S | * | * | trans | -71.9 | 135.9 | 162.2 | -74.6 | -27 | 0 | 0 | 0 | 108.4 | H18 I116 | H18-D118 IonicContact CE1-OD1 3.08Å; H18-D118 PolarHBondContact CE1-OD1 2.97Å; H18-D118 IonicContact ND1-OD1 3.47Å; H18-D118 PolarHBondContact ND1-OD1 3.47Å; H18-D118 VanDerWaalsContact ND1-OD1 3.08Å; I116-D118 PolarHBondContact O-N 2.88Å | ||
| 119 | A | 49.4 | Very low | 83.2 | Confident | 176 Ų | 176 | 85.1 Ų | 85.1 | 100% | 1.455 | 54% | 0.54 | S | S | * | . | trans | -77.1 | 0 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 119 of 119 residues in 125.9 ms
(Link to these results)