| 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 | 52.4 | Low | 77.4 | Confident | 251 Ų | 251 | 134.6 Ų | 134.6 | 100% | 1.236 | 71% | 0.711 | S | S | * | * | 0 | 124.2 | 0 | -81.8 | 169.7 | 171.9 | 0 | 0 | 108 | |||||
| 2 | M | 53.9 | Low | 78.5 | Confident | 187 Ų | 187 | 126.6 Ų | 126.6 | 92% | 0.921 | 68% | 0.678 | S | S | * | * | trans | -83.2 | 117.3 | 178.9 | -138.7 | 170.1 | -168.9 | 0 | 0 | 108.1 | ||||
| 3 | N | 73.2 | Confident | 79.4 | Confident | 157 Ų | 157 | 119 Ų | 119 | 84% | 0.84 | 64% | 0.639 | S | S | * | * | trans | -89.6 | 105.5 | 177.1 | -169.9 | -0.2 | 0 | 0 | 0 | 108.4 | ||||
| 4 | I | 80.8 | Confident | 79.8 | Confident | 148 Ų | 148 | 117.7 Ų | 117.7 | 76% | 0.759 | 63% | 0.627 | S | S | * | * | trans | -84.3 | 112.8 | 177.3 | -62.7 | 171.6 | 0 | 0 | 0 | 107.9 | A6 | I4-A6 PolarHBondContact O-N 3.47Š| ||
| 5 | K | 79.6 | Confident | 79.9 | Confident | 147 Ų | 147 | 118 Ų | 118 | 64% | 0.639 | 62% | 0.616 | S | S | * | * | trans | -90.7 | 98.7 | 173.6 | -165.4 | -177.5 | -171.2 | -165.8 | 0 | 109.6 | F7 T8 | K5-F7 WeakPolarHBondContact CE-O 3.43Å; K5-F7 WeakPolarHBondContact CG-O 3.41Å; K5-T8 WeakPolarHBondContact CE-OG1 3.2Å; K5-T8 PolarHBondContact NZ-OG1 3.5Å | ||
| 6 | A | 82.4 | Confident | 80.2 | Confident | 92 Ų | 92 | 119.2 Ų | 119.2 | 76% | 0.76 | 62% | 0.618 | S | S | * | * | trans | -72.9 | -28.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | I4 | I4-A6 PolarHBondContact O-N 3.47Š| ||
| 7 | F | 83.1 | Confident | 80.3 | Confident | 165 Ų | 165 | 116.4 Ų | 116.4 | 72% | 0.724 | 60% | 0.603 | S | S | * | * | trans | -151 | 160.8 | 176.9 | 60.2 | -88.9 | 0 | 0 | 0 | 111.2 | K5 | K5-F7 WeakPolarHBondContact CE-O 3.43Å; K5-F7 WeakPolarHBondContact CG-O 3.41Å | ||
| 8 | T | 83.8 | Confident | 80.1 | Confident | 58 Ų | 58 | 110.4 Ų | 110.4 | 36% | 0.356 | 57% | 0.572 | S | S | . | * | trans | -120.3 | 128.1 | 170.1 | -61.6 | 0 | 0 | 0 | 0 | 108 | K5 V10 T60 | K5-T8 WeakPolarHBondContact CE-OG1 3.2Å; K5-T8 PolarHBondContact NZ-OG1 3.5Å; T8-V10 HydrophobicContact CG2-CG1 4.21Å; T8-V10 PolarHBondContact O-N 2.87Å; T8-T60 HydrophobicContact CG2-CG2 4.13Å | ||
| 9 | L | 86.1 | Confident | 79.8 | Confident | 164 Ų | 164 | 105.6 Ų | 105.6 | 86% | 0.859 | 55% | 0.547 | S | S | * | . | trans | -70.5 | 129.3 | 170.4 | -173.7 | 68.4 | 0 | 0 | 0 | 108.6 | ||||
| 10 | V | 88 | Confident | 79.7 | Confident | 55 Ų | 55 | 102.3 Ų | 102.3 | 33% | 0.333 | 54% | 0.54 | S | S | . | . | trans | -129.5 | 140.5 | 176.5 | -63.3 | 0 | 0 | 0 | 0 | 108.8 | T8 F63 | T8-V10 HydrophobicContact CG2-CG1 4.21Å; T8-V10 PolarHBondContact O-N 2.87Å; V10-F63 HydrophobicContact CG2-CD2 3.84Å; V10-F63 HydrophobicContact CG2-CE2 4.06Å | ||
| 11 | S | 88.4 | Confident | 79.2 | Confident | 57 Ų | 57 | 105.2 Ų | 105.2 | 40% | 0.399 | 56% | 0.556 | S | S | . | * | trans | -74.9 | 131.2 | 175.1 | -172.4 | 0 | 0 | 0 | 0 | 109.6 | E14 | S11-E14 WeakPolarHBondContact CB-OE1 3.07Å; S11-E14 PolarHBondContact OG-OE1 3.38Å | ||
| 12 | A | 89.8 | Confident | 80.3 | Confident | 38 Ų | 38 | 99.9 Ų | 99.9 | 31% | 0.314 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -97.6 | -42.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | L51 A65 | A12-L51 HydrophobicContact CB-CD2 4.45Å; A12-A65 WeakPolarHBondContact O-CB 3.33Å |
| 13 | V | 90.2 | Very high | 81.1 | Confident | 28 Ų | 28 | 96.8 Ų | 96.8 | 17% | 0.17 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -137.5 | 124.2 | 178.7 | -172.5 | 0 | 0 | 0 | 0 | 108.3 | L17 L18 L37 F49 L51 A65 | V13-L17 HydrophobicContact CG1-CB 4.13Å; V13-L17 HydrophobicContact CG1-CD1 4.46Å; V13-L18 HydrophobicContact CB-CD1 4.3Å; V13-L18 HydrophobicContact CG1-CD1 3.65Å; V13-L18 HydrophobicContact CG1-CG 3.74Å; V13-L37 HydrophobicContact CG2-CD2 3.37Å; V13-F49 HydrophobicContact CG1-CD1 4.28Å; V13-F49 HydrophobicContact CG1-CE1 4.02Å; V13-F49 HydrophobicContact CG1-CE2 4.37Å; V13-F49 HydrophobicContact CG1-CZ 4.07Å; V13-F49 HydrophobicContact CG2-CG 4.35Å; V13-L51 HydrophobicContact CG2-CD2 4.18Å; V13-A65 HydrophobicContact CB-CB 4.37Å; V13-A65 HydrophobicContact CG1-CB 4.49Å; V13-A65 HydrophobicContact CG2-CB 3.71Å |
| 14 | E | 86.1 | Confident | 81.6 | Confident | 101 Ų | 101 | 97.2 Ų | 97.2 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | trans | -84.4 | 155.5 | 175.6 | -62.3 | -64.3 | 163.2 | 0 | 0 | 111.6 | S11 E16 L17 | S11-E14 WeakPolarHBondContact CB-OE1 3.07Å; S11-E14 PolarHBondContact OG-OE1 3.38Å; E14-E16 VanDerWaalsContact CB-OE2 3.26Å; E14-E16 WeakPolarHBondContact CB-OE2 3.32Å; E14-E16 PolarHBondContact O-N 2.94Å; E14-L17 PolarHBondContact O-N 3.38Å; E14-L17 VanDerWaalsContact O-N 3.15Å | ||
| 15 | R | 81.1 | Confident | 81.9 | Confident | 122 Ų | 122 | 91.1 Ų | 91.1 | 46% | 0.46 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.8 | -36.4 | -175.9 | -177.5 | 173.2 | 175 | -174.8 | -9.6 | 112.3 | L17 L18 M19 D23 | R15-L17 VanDerWaalsContact C-N 3.28Å; R15-L17 PolarHBondContact O-N 2.8Å; R15-L18 PolarHBondContact O-N 3Å; R15-L18 VanDerWaalsContact O-N 3.16Å; R15-M19 HydrophobicContact CG-CB 4.35Å; R15-M19 HydrophobicContact CG-CG 4.13Å; R15-M19 HydrophobicContact CG-SD 3.68Å; R15-M19 PolarHBondContact O-N 2.88Å; R15-D23 IonicContact NH2-OD1 3.29Å; R15-D23 PolarHBondContact NH2-OD1 2.82Å |
| 16 | E | 83.7 | Confident | 82.5 | Confident | 137 Ų | 137 | 86.2 Ų | 86.2 | 64% | 0.64 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.8 | -35.6 | -177 | -61.2 | 72.3 | -156.7 | 0 | 0 | 111.6 | E14 G20 | E14-E16 VanDerWaalsContact CB-OE2 3.26Å; E14-E16 WeakPolarHBondContact CB-OE2 3.32Å; E14-E16 PolarHBondContact O-N 2.94Å; E16-G20 PolarHBondContact O-N 3.44Å |
| 17 | L | 82.6 | Confident | 83.1 | Confident | 71 Ų | 71 | 85.8 Ų | 85.8 | 37% | 0.372 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -71.9 | -31.3 | 178.2 | -72.6 | 168.6 | 0 | 0 | 0 | 112.5 | V13 E14 R15 F49 A65 K67 | V13-L17 HydrophobicContact CG1-CB 4.13Å; V13-L17 HydrophobicContact CG1-CD1 4.46Å; E14-L17 PolarHBondContact O-N 3.38Å; E14-L17 VanDerWaalsContact O-N 3.15Å; R15-L17 VanDerWaalsContact C-N 3.28Å; R15-L17 PolarHBondContact O-N 2.8Å; L17-F49 HydrophobicContact CB-CE1 4.07Å; L17-A65 HydrophobicContact CD1-CB 4.29Å; L17-K67 PolarHBondContact O-NZ 2.94Å; L17-K67 VanDerWaalsContact O-NZ 3.13Å |
| 18 | L | 77.7 | Confident | 83.7 | Confident | 9 Ų | 9 | 82 Ų | 82 | 5% | 0.047 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -83.1 | -52.5 | -179.5 | -82.7 | 158.8 | 0 | 0 | 0 | 111.9 | V13 R15 I27 V39 Y47 F49 | V13-L18 HydrophobicContact CB-CD1 4.3Å; V13-L18 HydrophobicContact CG1-CD1 3.65Å; V13-L18 HydrophobicContact CG1-CG 3.74Å; R15-L18 PolarHBondContact O-N 3Å; R15-L18 VanDerWaalsContact O-N 3.16Å; L18-I27 HydrophobicContact CD1-CD1 3.64Å; L18-I27 HydrophobicContact CD1-CG1 4.26Å; L18-V39 HydrophobicContact CD2-CB 4.02Å; L18-V39 HydrophobicContact CD2-CG1 3.81Å; L18-V39 HydrophobicContact CD2-CG2 4.17Å; L18-Y47 HydrophobicContact CD2-CD2 4.18Å; L18-Y47 HydrophobicContact CD2-CG 4.32Å; L18-F49 HydrophobicContact CD2-CE2 3.42Å; L18-F49 VanDerWaalsContact CD2-CE2 3.42Å; L18-F49 HydrophobicContact CD2-CZ 3.55Å; L18-F49 HydrophobicContact CG-CE2 4.04Å; L18-F49 HydrophobicContact CG-CZ 3.76Å |
| 19 | M | 74.4 | Confident | 84.4 | Confident | 20 Ų | 20 | 80.2 Ų | 80.2 | 10% | 0.099 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -122 | -15 | -154.9 | -37 | 178.5 | 88.3 | 0 | 0 | 112.7 | R15 D21 R22 I25 | R15-M19 HydrophobicContact CG-CB 4.35Å; R15-M19 HydrophobicContact CG-CG 4.13Å; R15-M19 HydrophobicContact CG-SD 3.68Å; R15-M19 PolarHBondContact O-N 2.88Å; M19-D21 PolarHBondContact O-N 3.39Å; M19-R22 WeakPolarHBondContact O-CB 3.36Å; M19-R22 WeakPolarHBondContact O-CG 3.01Å; M19-R22 PolarHBondContact O-N 2.77Å; M19-I25 HydrophobicContact CE-CB 3.23Å; M19-I25 HydrophobicContact CE-CG2 3.33Å; M19-I25 WeakPolarHBondContact CE-O 3.11Å |
| 20 | G | 76 | Confident | 84.9 | Confident | 39 Ų | 39 | 76.4 Ų | 76.4 | 40% | 0.402 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | -133.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | E16 R22 | E16-G20 PolarHBondContact O-N 3.44Å; G20-R22 VanDerWaalsContact C-N 3.31Å; G20-R22 PolarHBondContact O-N 2.61Å |
| 21 | D | 70.8 | Confident | 85.4 | Confident | 164 Ų | 164 | 76.3 Ų | 76.3 | 88% | 0.877 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 16 | 178.1 | -66.3 | -26 | 0 | 0 | 0 | 114.3 | M19 D23 | M19-D21 PolarHBondContact O-N 3.39Å; D21-D23 PolarHBondContact O-N 2.8Å |
| 22 | R | 75.1 | Confident | 85.7 | Confident | 138 Ų | 138 | 77.1 Ų | 77.1 | 52% | 0.521 | 40% | 0.401 | S | S | . | . | trans | -82.2 | 106.5 | 179.9 | -58.4 | -168.7 | -152.6 | 169.4 | 4.3 | 110.7 | M19 G20 H24 I25 D43 | M19-R22 WeakPolarHBondContact O-CB 3.36Å; M19-R22 WeakPolarHBondContact O-CG 3.01Å; M19-R22 PolarHBondContact O-N 2.77Å; G20-R22 VanDerWaalsContact C-N 3.31Å; G20-R22 PolarHBondContact O-N 2.61Å; R22-H24 VanDerWaalsContact C-N 3.26Å; R22-H24 PolarHBondContact O-N 3.39Å; R22-I25 HydrophobicContact CB-CD1 3.98Å; R22-I25 HydrophobicContact CB-CG1 4.13Å; R22-I25 HydrophobicContact CG-CD1 4.42Å; R22-D43 IonicContact NH1-OD2 3.92Å | ||
| 23 | D | 70.3 | Confident | 86 | Confident | 123 Ų | 123 | 76.6 Ų | 76.6 | 66% | 0.658 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -9.6 | -175.5 | -77.2 | -34.5 | 0 | 0 | 0 | 116 | R15 D21 | R15-D23 IonicContact NH2-OD1 3.29Å; R15-D23 PolarHBondContact NH2-OD1 2.82Å; D21-D23 PolarHBondContact O-N 2.8Å |
| 24 | H | 83.1 | Confident | 86.2 | Confident | 166 Ų | 166 | 79 Ų | 79 | 77% | 0.769 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | 2.5 | -172.3 | -60.5 | -43.4 | 0 | 0 | 0 | 115 | R22 N42 | R22-H24 VanDerWaalsContact C-N 3.26Å; R22-H24 PolarHBondContact O-N 3.39Å; H24-N42 PolarHBondContact O-ND2 2.89Å |
| 25 | I | 88.6 | Confident | 86.6 | Confident | 20 Ų | 20 | 81.6 Ų | 81.6 | 10% | 0.103 | 43% | 0.431 | C | S | . | . | trans | -80.4 | 146.8 | 172.5 | -56.4 | -180 | 0 | 0 | 0 | 107.4 | M19 R22 T41 N42 D43 | M19-I25 HydrophobicContact CE-CB 3.23Å; M19-I25 HydrophobicContact CE-CG2 3.33Å; M19-I25 WeakPolarHBondContact CE-O 3.11Å; R22-I25 HydrophobicContact CB-CD1 3.98Å; R22-I25 HydrophobicContact CB-CG1 4.13Å; R22-I25 HydrophobicContact CG-CD1 4.42Å; I25-T41 HydrophobicContact CG2-CG2 3.73Å; I25-N42 VanDerWaalsContact CA-OD1 3.25Å; I25-N42 WeakPolarHBondContact CA-OD1 3.43Å; I25-D43 WeakPolarHBondContact CD1-OD2 3.25Å; I25-D43 HydrophobicContact CG1-CB 4.46Å | ||
| 26 | S | 92.1 | Very high | 87.3 | Confident | 43 Ų | 43 | 78.1 Ų | 78.1 | 30% | 0.301 | 42% | 0.421 | S | S | . | . | trans | -133.1 | 149.6 | 167.7 | 49.4 | 0 | 0 | 0 | 0 | 109.7 | E28 T41 N42 | S26-E28 PolarHBondContact OG-OE1 3.23Å; S26-T41 WeakPolarHBondContact O-CA 3.44Å; S26-T41 WeakPolarHBondContact O-CB 3.4Å; S26-N42 PolarHBondContact N-OD1 2.9Å; S26-N42 PolarHBondContact O-N 3.36Å; S26-N42 VanDerWaalsContact O-N 3.13Å; S26-N42 VanDerWaalsContact OG-CB 3.31Å; S26-N42 WeakPolarHBondContact OG-CB 3.12Å; S26-N42 PolarHBondContact OG-ND2 2.88Å | ||
| 27 | I | 94.4 | Very high | 87.9 | Confident | 84 Ų | 84 | 72.3 Ų | 72.3 | 43% | 0.431 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 125.7 | 168.5 | -59 | 173.8 | 0 | 0 | 0 | 107.4 | L18 V30 V39 | L18-I27 HydrophobicContact CD1-CD1 3.64Å; L18-I27 HydrophobicContact CD1-CG1 4.26Å; I27-V30 HydrophobicContact CG2-CG1 3.83Å; I27-V39 HydrophobicContact CB-CG1 4.3Å; I27-V39 HydrophobicContact CD1-CG1 4.27Å; I27-V39 HydrophobicContact CG1-CG1 3.91Å; I27-V39 HydrophobicContact CG2-CG1 3.67Å |
| 28 | E | 96.6 | Very high | 88.6 | Confident | 86 Ų | 86 | 69.1 Ų | 69.1 | 40% | 0.402 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -36.2 | -177.5 | -63.4 | -67.2 | 135.1 | 0 | 0 | 111.1 | S26 G40 N42 P78 V79 | S26-E28 PolarHBondContact OG-OE1 3.23Å; E28-G40 PolarHBondContact N-O 2.88Å; E28-N42 HydrophobicContact CG-CB 3.9Å; E28-N42 VanDerWaalsContact CG-N 3.31Å; E28-P78 HydrophobicContact CG-CB 4.07Å; E28-V79 VanDerWaalsContact CB-O 3.24Å; E28-V79 WeakPolarHBondContact CB-O 3.4Å |
| 29 | C | 97.6 | Very high | 89.5 | Confident | 19 Ų | 19 | 68.8 Ų | 68.8 | 13% | 0.128 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 159.1 | 176.3 | 58.4 | 0 | 0 | 0 | 0 | 111.6 | G40 V79 | C29-G40 PolarHBondContact N-O 2.93Å; C29-G40 PolarHBondContact O-N 3.02Å; C29-V79 PolarHBondContact SG-O 2.54Å |
| 30 | V | 97.5 | Very high | 90.6 | Very high | 85 Ų | 85 | 67.9 Ų | 67.9 | 52% | 0.515 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146.7 | 175 | -62.8 | 0 | 0 | 0 | 0 | 109.7 | I27 L37 Y38 V39 | I27-V30 HydrophobicContact CG2-CG1 3.83Å; V30-L37 HydrophobicContact CB-CD1 4.21Å; V30-Y38 CarbonylContact C-O 3.58Å; V30-Y38 VanDerWaalsContact CA-O 3.3Å; V30-Y38 WeakPolarHBondContact CA-O 3.17Å; V30-V39 HydrophobicContact CG1-CG1 4.32Å; V30-V39 HydrophobicContact CG1-CG2 4.25Å |
| 31 | E | 97.8 | Very high | 91.5 | Very high | 52 Ų | 52 | 66.1 Ų | 66.1 | 24% | 0.243 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 136.3 | 173.5 | 174.7 | 63.3 | 170.3 | 0 | 0 | 110.7 | Y38 L82 A84 L91 | E31-Y38 PolarHBondContact N-O 2.86Å; E31-Y38 PolarHBondContact O-N 2.91Å; E31-L82 HydrophobicContact CB-CB 3.66Å; E31-A84 HydrophobicContact CG-CB 3.81Å; E31-A84 WeakPolarHBondContact OE1-CB 3.37Å; E31-A84 PolarHBondContact OE1-N 3.27Å; E31-L91 HydrophobicContact CG-CD1 4.16Å |
| 32 | C | 95.3 | Very high | 92.7 | Very high | 74 Ų | 74 | 60.6 Ų | 60.6 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 131.8 | -179 | -73 | 0 | 0 | 0 | 0 | 111.6 | N36 L37 | C32-N36 CarbonylContact C-O 3.43Å; C32-N36 WeakPolarHBondContact CA-O 3.44Å; C32-L37 VanDerWaalsContact SG-CD1 3.52Å |
| 33 | C | 95.3 | Very high | 93.6 | Very high | 27 Ų | 27 | 56.1 Ų | 56.1 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 91.2 | 172.3 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | R35 N36 Y38 A84 S86 M104 | C33-R35 PolarHBondContact O-N 2.82Å; C33-N36 PolarHBondContact N-O 3.34Å; C33-N36 WeakPolarHBondContact O-CB 3.37Å; C33-N36 PolarHBondContact O-N 3.31Å; C33-N36 VanDerWaalsContact O-N 3.09Å; C33-N36 PolarHBondContact O-ND2 3.09Å; C33-N36 VanDerWaalsContact O-ND2 3.13Å; C33-Y38 HydrophobicContact CB-CE2 4.08Å; C33-A84 HydrophobicContact CB-CB 3.93Å; C33-S86 WeakPolarHBondContact SG-CB 3.46Å; C33-M104 HydrophobicContact CB-CE 4.35Å |
| 34 | G | 93.9 | Very high | 94.8 | Very high | 79 Ų | 79 | 50.2 Ų | 50.2 | 81% | 0.814 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | -120.7 | -171 | 0 | 0 | 0 | 0 | 0 | 110.3 | N36 | G34-N36 VanDerWaalsContact C-N 3.32Š|
| 35 | R | 95.1 | Very high | 95.3 | Very high | 156 Ų | 156 | 44 Ų | 44 | 59% | 0.589 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -4.8 | 175.4 | -68.9 | -174.9 | -68.7 | 172.8 | -0.7 | 113.7 | C33 L50 L51 | C33-R35 PolarHBondContact O-N 2.82Å; R35-L50 HydrophobicContact CB-CD1 3.71Å; R35-L51 WeakPolarHBondContact CB-O 3.39Å; R35-L51 WeakPolarHBondContact CG-O 3.41Å; R35-L51 PolarHBondContact O-N 3.13Å |
| 36 | N | 95.8 | Very high | 95.7 | Very high | 48 Ų | 48 | 43.1 Ų | 43.1 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 127 | 179.2 | -56.8 | -74.1 | 0 | 0 | 0 | 109.3 | C32 C33 G34 Y38 H48 F49 | C32-N36 CarbonylContact C-O 3.43Å; C32-N36 WeakPolarHBondContact CA-O 3.44Å; C33-N36 PolarHBondContact N-O 3.34Å; C33-N36 WeakPolarHBondContact O-CB 3.37Å; C33-N36 PolarHBondContact O-N 3.31Å; C33-N36 VanDerWaalsContact O-N 3.09Å; C33-N36 PolarHBondContact O-ND2 3.09Å; C33-N36 VanDerWaalsContact O-ND2 3.13Å; G34-N36 VanDerWaalsContact C-N 3.32Å; N36-Y38 HydrophobicContact CB-CE2 3.9Å; N36-H48 PolarHBondContact OD1-NE2 2.85Å; N36-F49 WeakPolarHBondContact CA-O 3.42Å |
| 37 | L | 96.5 | Very high | 95.9 | Very high | 15 Ų | 15 | 41.5 Ų | 41.5 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125.7 | 170.9 | 171.6 | 68 | 0 | 0 | 0 | 108.5 | V13 V30 C32 V39 H48 F49 L51 | V13-L37 HydrophobicContact CG2-CD2 3.37Å; V30-L37 HydrophobicContact CB-CD1 4.21Å; C32-L37 VanDerWaalsContact SG-CD1 3.52Å; L37-V39 HydrophobicContact CD1-CG2 4.44Å; L37-V39 HydrophobicContact CD2-CG2 4.19Å; L37-V39 HydrophobicContact CG-CG2 3.98Å; L37-H48 CarbonylContact O-C 3.58Å; L37-H48 WeakPolarHBondContact O-CA 3.05Å; L37-F49 HydrophobicContact CB-CB 4.35Å; L37-F49 PolarHBondContact N-O 3.36Å; L37-F49 PolarHBondContact O-N 3.14Å; L37-L51 HydrophobicContact CB-CD1 3.94Å; L37-L51 HydrophobicContact CB-CD2 4.4Å; L37-L51 HydrophobicContact CB-CG 3.98Å; L37-L51 HydrophobicContact CD2-CD1 4.21Å; L37-L51 HydrophobicContact CD2-CD2 4.16Å; L37-L51 HydrophobicContact CD2-CG 4.47Å |
| 38 | Y | 97.2 | Very high | 96 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 133.9 | 173.4 | -55.9 | -73.7 | 0 | 0 | 0 | 109.3 | V30 E31 C33 N36 Y47 H48 L91 M104 L107 | V30-Y38 CarbonylContact C-O 3.58Å; V30-Y38 VanDerWaalsContact CA-O 3.3Å; V30-Y38 WeakPolarHBondContact CA-O 3.17Å; E31-Y38 PolarHBondContact N-O 2.86Å; E31-Y38 PolarHBondContact O-N 2.91Å; C33-Y38 HydrophobicContact CB-CE2 4.08Å; N36-Y38 HydrophobicContact CB-CE2 3.9Å; Y38-Y47 CarbonylContact C-O 3.59Å; Y38-Y47 VanDerWaalsContact CA-O 3.28Å; Y38-Y47 WeakPolarHBondContact CA-O 3.48Å; Y38-H48 HydrophobicContact CD1-CB 3.93Å; Y38-H48 HydrophobicContact CE1-CB 3.89Å; Y38-H48 AromaticContact CE1-CD2 3.5Å; Y38-H48 VanDerWaalsContact CE1-CD2 3.5Å; Y38-H48 WeakPolarHBondContact CE1-CD2 3.24Å; Y38-H48 AromaticContact CE1-CG 3.65Å; Y38-L91 HydrophobicContact CD1-CD2 3.99Å; Y38-L91 HydrophobicContact CD2-CD1 3.9Å; Y38-L91 HydrophobicContact CD2-CD2 4.32Å; Y38-L91 HydrophobicContact CE2-CD1 4.43Å; Y38-L91 HydrophobicContact CG-CD1 4.19Å; Y38-L91 HydrophobicContact CG-CD2 3.81Å; Y38-M104 HydrophobicContact CE2-CE 4.02Å; Y38-M104 HydrophobicContact CE2-CG 4.31Å; Y38-M104 HydrophobicContact CE2-SD 4.48Å; Y38-M104 WeakPolarHBondContact OH-CB 3.3Å; Y38-L107 HydrophobicContact CD1-CD1 3.4Å; Y38-L107 HydrophobicContact CE1-CD1 3.26Å |
| 39 | V | 97 | Very high | 95.9 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 120.7 | -177.3 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | L18 I27 V30 L37 I46 Y47 F49 | L18-V39 HydrophobicContact CD2-CB 4.02Å; L18-V39 HydrophobicContact CD2-CG1 3.81Å; L18-V39 HydrophobicContact CD2-CG2 4.17Å; I27-V39 HydrophobicContact CB-CG1 4.3Å; I27-V39 HydrophobicContact CD1-CG1 4.27Å; I27-V39 HydrophobicContact CG1-CG1 3.91Å; I27-V39 HydrophobicContact CG2-CG1 3.67Å; V30-V39 HydrophobicContact CG1-CG1 4.32Å; V30-V39 HydrophobicContact CG1-CG2 4.25Å; L37-V39 HydrophobicContact CD1-CG2 4.44Å; L37-V39 HydrophobicContact CD2-CG2 4.19Å; L37-V39 HydrophobicContact CG-CG2 3.98Å; V39-I46 CarbonylContact O-C 3.55Å; V39-I46 WeakPolarHBondContact O-CA 3.36Å; V39-Y47 PolarHBondContact N-O 2.89Å; V39-Y47 PolarHBondContact O-N 3.19Å; V39-F49 HydrophobicContact CG2-CD2 4.14Å; V39-F49 HydrophobicContact CG2-CE2 4.09Å |
| 40 | G | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 136.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E28 C29 F45 | E28-G40 PolarHBondContact N-O 2.88Å; C29-G40 PolarHBondContact N-O 2.93Å; C29-G40 PolarHBondContact O-N 3.02Å; G40-F45 WeakPolarHBondContact CA-O 3.28Å |
| 41 | T | 95.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 164.4 | -177.8 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | I25 S26 D43 C44 F45 Y47 V79 | I25-T41 HydrophobicContact CG2-CG2 3.73Å; S26-T41 WeakPolarHBondContact O-CA 3.44Å; S26-T41 WeakPolarHBondContact O-CB 3.4Å; T41-D43 VanDerWaalsContact CB-OD1 3.29Å; T41-D43 WeakPolarHBondContact CB-OD1 3.21Å; T41-D43 PolarHBondContact O-N 2.85Å; T41-D43 PolarHBondContact OG1-OD1 2.79Å; T41-C44 PolarHBondContact O-N 2.87Å; T41-F45 PolarHBondContact N-O 2.81Å; T41-F45 WeakPolarHBondContact OG1-CB 3.46Å; T41-F45 PolarHBondContact OG1-N 3.32Å; T41-F45 PolarHBondContact OG1-O 3.13Å; T41-Y47 HydrophobicContact CG2-CD2 3.88Å; T41-Y47 HydrophobicContact CG2-CE2 3.72Å; T41-V79 PolarHBondContact O-N 3.27Å |
| 42 | N | 95.4 | Very high | 95.6 | Very high | 48 Ų | 48 | 34 Ų | 34 | 26% | 0.257 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -24.9 | 177.3 | 67.2 | -27.8 | 0 | 0 | 0 | 113.7 | H24 I25 S26 E28 C44 P78 | H24-N42 PolarHBondContact O-ND2 2.89Å; I25-N42 VanDerWaalsContact CA-OD1 3.25Å; I25-N42 WeakPolarHBondContact CA-OD1 3.43Å; S26-N42 PolarHBondContact N-OD1 2.9Å; S26-N42 PolarHBondContact O-N 3.36Å; S26-N42 VanDerWaalsContact O-N 3.13Å; S26-N42 VanDerWaalsContact OG-CB 3.31Å; S26-N42 WeakPolarHBondContact OG-CB 3.12Å; S26-N42 PolarHBondContact OG-ND2 2.88Å; E28-N42 HydrophobicContact CG-CB 3.9Å; E28-N42 VanDerWaalsContact CG-N 3.31Å; N42-C44 PolarHBondContact O-N 2.88Å; N42-P78 HydrophobicContact CB-CG 4.43Å |
| 43 | D | 93.3 | Very high | 95.4 | Very high | 44 Ų | 44 | 37 Ų | 37 | 24% | 0.235 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 23.1 | 177 | 75.4 | -28 | 0 | 0 | 0 | 113.1 | R22 I25 T41 F45 H72 | R22-D43 IonicContact NH1-OD2 3.92Å; I25-D43 WeakPolarHBondContact CD1-OD2 3.25Å; I25-D43 HydrophobicContact CG1-CB 4.46Å; T41-D43 VanDerWaalsContact CB-OD1 3.29Å; T41-D43 WeakPolarHBondContact CB-OD1 3.21Å; T41-D43 PolarHBondContact O-N 2.85Å; T41-D43 PolarHBondContact OG1-OD1 2.79Å; D43-F45 VanDerWaalsContact C-N 3.29Å; D43-F45 WeakPolarHBondContact O-CD2 3.31Å; D43-F45 PolarHBondContact O-N 2.85Å; D43-F45 WeakPolarHBondContact OD2-CD2 2.79Å; D43-H72 PolarHBondContact O-CD2 2.78Å; D43-H72 PolarHBondContact O-NE2 3.23Å |
| 44 | C | 95.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 68.2 | 22.7 | 170.6 | -159.8 | 0 | 0 | 0 | 0 | 114.8 | T41 N42 H72 L73 F75 K77 C95 | T41-C44 PolarHBondContact O-N 2.87Å; N42-C44 PolarHBondContact O-N 2.88Å; C44-H72 WeakPolarHBondContact O-CA 3.2Å; C44-L73 PolarHBondContact O-N 2.82Å; C44-F75 WeakPolarHBondContact CB-O 3.29Å; C44-F75 VanDerWaalsContact SG-CB 3.59Å; C44-K77 WeakPolarHBondContact CA-O 3.34Å; C44-K77 WeakPolarHBondContact CB-O 3.37Å; C44-C95 VanDerWaalsContact SG-SG 3.67Å |
| 45 | F | 95.1 | Very high | 94.7 | Very high | 36 Ų | 36 | 42.1 Ų | 42.1 | 16% | 0.158 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 148.2 | 171.4 | -80 | -97.2 | 0 | 0 | 0 | 112.1 | G40 T41 D43 Y47 H70 R71 H72 V79 | G40-F45 WeakPolarHBondContact CA-O 3.28Å; T41-F45 PolarHBondContact N-O 2.81Å; T41-F45 WeakPolarHBondContact OG1-CB 3.46Å; T41-F45 PolarHBondContact OG1-N 3.32Å; T41-F45 PolarHBondContact OG1-O 3.13Å; D43-F45 VanDerWaalsContact C-N 3.29Å; D43-F45 WeakPolarHBondContact O-CD2 3.31Å; D43-F45 PolarHBondContact O-N 2.85Å; D43-F45 WeakPolarHBondContact OD2-CD2 2.79Å; F45-Y47 HydrophobicContact CB-CD2 4.15Å; F45-Y47 HydrophobicContact CB-CE2 3.52Å; F45-Y47 HydrophobicContact CD1-CE1 4.49Å; F45-Y47 HydrophobicContact CG-CE2 4.25Å; F45-H70 AromaticContact CD1-CD2 4Å; F45-H70 AromaticContact CE1-CD2 3.81Å; F45-R71 CarbonylContact C-O 3.44Å; F45-R71 VanDerWaalsContact CA-O 3.31Å; F45-R71 WeakPolarHBondContact CA-O 3.26Å; F45-H72 HydrophobicContact CD1-CB 4.06Å; F45-H72 HydrophobicContact CD2-CB 4.38Å; F45-H72 AromaticContact CD2-CD2 3.66Å; F45-H72 HydrophobicContact CE1-CB 3.68Å; F45-H72 HydrophobicContact CE2-CB 4.04Å; F45-H72 AromaticContact CE2-CD2 3.41Å; F45-H72 VanDerWaalsContact CE2-CD2 3.41Å; F45-H72 WeakPolarHBondContact CE2-CD2 3.49Å; F45-H72 HydrophobicContact CG-CB 4.39Å; F45-H72 HydrophobicContact CZ-CB 3.67Å; F45-H72 AromaticContact CZ-CD2 3.93Å; F45-V79 WeakPolarHBondContact O-CG2 3.15Å |
| 46 | I | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 126.3 | 159.2 | -53.4 | 174.2 | 0 | 0 | 0 | 107.4 | V39 H70 R71 L73 V79 L82 L91 V93 V102 L107 | V39-I46 CarbonylContact O-C 3.55Å; V39-I46 WeakPolarHBondContact O-CA 3.36Å; I46-H70 CarbonylContact O-C 3.54Å; I46-H70 WeakPolarHBondContact O-CA 3.43Å; I46-R71 PolarHBondContact N-O 2.65Å; I46-R71 PolarHBondContact O-N 2.99Å; I46-L73 HydrophobicContact CD1-CD1 4.16Å; I46-L73 HydrophobicContact CD1-CD2 3.82Å; I46-L73 HydrophobicContact CD1-CG 4.31Å; I46-L73 HydrophobicContact CG1-CD1 4.31Å; I46-L73 HydrophobicContact CG1-CD2 4.37Å; I46-L73 HydrophobicContact CG1-CG 4.43Å; I46-V79 HydrophobicContact CG1-CG1 4.42Å; I46-V79 HydrophobicContact CG1-CG2 4.21Å; I46-L82 HydrophobicContact CD1-CD2 3.96Å; I46-L82 HydrophobicContact CG1-CD2 4.31Å; I46-L82 HydrophobicContact CG2-CD1 4.21Å; I46-L91 HydrophobicContact CD1-CD2 4.45Å; I46-L91 HydrophobicContact CG2-CD2 4.11Å; I46-V93 HydrophobicContact CD1-CB 4.41Å; I46-V93 HydrophobicContact CD1-CG1 3.89Å; I46-V93 HydrophobicContact CD1-CG2 3.58Å; I46-V102 HydrophobicContact CD1-CG2 4.42Å; I46-L107 HydrophobicContact CB-CD2 3.7Å; I46-L107 HydrophobicContact CD1-CD2 4.23Å; I46-L107 HydrophobicContact CG2-CD1 4.36Å; I46-L107 HydrophobicContact CG2-CD2 3.57Å |
| 47 | Y | 95.8 | Very high | 93.2 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 140.2 | 172.6 | -64.8 | -79.9 | 0 | 0 | 0 | 110.4 | L18 Y38 V39 T41 F45 F49 K67 H70 | L18-Y47 HydrophobicContact CD2-CD2 4.18Å; L18-Y47 HydrophobicContact CD2-CG 4.32Å; Y38-Y47 CarbonylContact C-O 3.59Å; Y38-Y47 VanDerWaalsContact CA-O 3.28Å; Y38-Y47 WeakPolarHBondContact CA-O 3.48Å; V39-Y47 PolarHBondContact N-O 2.89Å; V39-Y47 PolarHBondContact O-N 3.19Å; T41-Y47 HydrophobicContact CG2-CD2 3.88Å; T41-Y47 HydrophobicContact CG2-CE2 3.72Å; F45-Y47 HydrophobicContact CB-CD2 4.15Å; F45-Y47 HydrophobicContact CB-CE2 3.52Å; F45-Y47 HydrophobicContact CD1-CE1 4.49Å; F45-Y47 HydrophobicContact CG-CE2 4.25Å; Y47-F49 HydrophobicContact CG-CE2 4.44Å; Y47-K67 VanDerWaalsContact CE1-NZ 3.34Å; Y47-H70 HydrophobicContact CD1-CB 3.41Å; Y47-H70 VanDerWaalsContact CD1-CB 3.41Å; Y47-H70 HydrophobicContact CE1-CB 3.68Å; Y47-H70 HydrophobicContact CG-CB 4.31Å |
| 48 | H | 96.3 | Very high | 92.3 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 7% | 0.069 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.6 | 175 | 170.5 | -146.8 | 0 | 0 | 0 | 110.1 | N36 L37 Y38 Q68 L69 L107 | N36-H48 PolarHBondContact OD1-NE2 2.85Å; L37-H48 CarbonylContact O-C 3.58Å; L37-H48 WeakPolarHBondContact O-CA 3.05Å; Y38-H48 HydrophobicContact CD1-CB 3.93Å; Y38-H48 HydrophobicContact CE1-CB 3.89Å; Y38-H48 AromaticContact CE1-CD2 3.5Å; Y38-H48 VanDerWaalsContact CE1-CD2 3.5Å; Y38-H48 WeakPolarHBondContact CE1-CD2 3.24Å; Y38-H48 AromaticContact CE1-CG 3.65Å; H48-Q68 WeakPolarHBondContact ND1-CB 3.5Å; H48-Q68 PolarHBondContact O-N 3.26Å; H48-L69 HydrophobicContact CB-CB 4.37Å; H48-L69 PolarHBondContact N-O 3.15Å; H48-L107 HydrophobicContact CB-CD1 3.91Å |
| 49 | F | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 145.2 | 173.6 | -59.9 | -91.6 | 0 | 0 | 0 | 110 | V13 L17 L18 N36 L37 V39 Y47 A65 T66 K67 | V13-F49 HydrophobicContact CG1-CD1 4.28Å; V13-F49 HydrophobicContact CG1-CE1 4.02Å; V13-F49 HydrophobicContact CG1-CE2 4.37Å; V13-F49 HydrophobicContact CG1-CZ 4.07Å; V13-F49 HydrophobicContact CG2-CG 4.35Å; L17-F49 HydrophobicContact CB-CE1 4.07Å; L18-F49 HydrophobicContact CD2-CE2 3.42Å; L18-F49 VanDerWaalsContact CD2-CE2 3.42Å; L18-F49 HydrophobicContact CD2-CZ 3.55Å; L18-F49 HydrophobicContact CG-CE2 4.04Å; L18-F49 HydrophobicContact CG-CZ 3.76Å; N36-F49 WeakPolarHBondContact CA-O 3.42Å; L37-F49 HydrophobicContact CB-CB 4.35Å; L37-F49 PolarHBondContact N-O 3.36Å; L37-F49 PolarHBondContact O-N 3.14Å; V39-F49 HydrophobicContact CG2-CD2 4.14Å; V39-F49 HydrophobicContact CG2-CE2 4.09Å; Y47-F49 HydrophobicContact CG-CE2 4.44Å; F49-A65 HydrophobicContact CB-CB 4.45Å; F49-A65 HydrophobicContact CD1-CB 4.31Å; F49-T66 WeakPolarHBondContact CA-O 3.42Å; F49-K67 VanDerWaalsContact CD1-CA 3.48Å; F49-K67 HydrophobicContact CD1-CB 3.87Å; F49-K67 HydrophobicContact CD1-CG 4.3Å; F49-K67 HydrophobicContact CE1-CB 3.6Å; F49-K67 HydrophobicContact CE1-CD 4.28Å; F49-K67 HydrophobicContact CE1-CG 3.78Å; F49-K67 HydrophobicContact CZ-CG 4.21Å |
| 50 | L | 95.8 | Very high | 90.1 | Very high | 41 Ų | 41 | 52.7 Ų | 52.7 | 22% | 0.215 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 123.1 | 162.9 | -175.8 | 68.8 | 0 | 0 | 0 | 108.2 | R35 E52 A65 T66 Q68 | R35-L50 HydrophobicContact CB-CD1 3.71Å; L50-E52 HydrophobicContact CD2-CG 4.47Å; L50-E52 HydrophobicContact CG-CG 4.43Å; L50-A65 WeakPolarHBondContact O-CA 3.47Å; L50-T66 PolarHBondContact N-O 2.86Å; L50-T66 PolarHBondContact O-N 3.34Å; L50-Q68 HydrophobicContact CB-CG 3.99Å |
| 51 | L | 95.3 | Very high | 89.4 | Confident | 26 Ų | 26 | 54 Ų | 54 | 14% | 0.136 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.6 | 175.2 | -59.4 | -175.3 | 0 | 0 | 0 | 110.1 | A12 V13 R35 L37 F63 A65 | A12-L51 HydrophobicContact CB-CD2 4.45Å; V13-L51 HydrophobicContact CG2-CD2 4.18Å; R35-L51 WeakPolarHBondContact CB-O 3.39Å; R35-L51 WeakPolarHBondContact CG-O 3.41Å; R35-L51 PolarHBondContact O-N 3.13Å; L37-L51 HydrophobicContact CB-CD1 3.94Å; L37-L51 HydrophobicContact CB-CD2 4.4Å; L37-L51 HydrophobicContact CB-CG 3.98Å; L37-L51 HydrophobicContact CD2-CD1 4.21Å; L37-L51 HydrophobicContact CD2-CD2 4.16Å; L37-L51 HydrophobicContact CD2-CG 4.47Å; L51-F63 HydrophobicContact CB-CD1 4.41Å; L51-A65 HydrophobicContact CD2-CB 3.69Å |
| 52 | E | 94.2 | Very high | 89 | Confident | 88 Ų | 88 | 56.3 Ų | 56.3 | 41% | 0.411 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 120.6 | 175.1 | -62.9 | -172.3 | 112.5 | 0 | 0 | 109.8 | L50 F63 V64 | L50-E52 HydrophobicContact CD2-CG 4.47Å; L50-E52 HydrophobicContact CG-CG 4.43Å; E52-F63 WeakPolarHBondContact O-CA 3.37Å; E52-V64 PolarHBondContact N-O 3.06Å; E52-V64 PolarHBondContact O-N 2.89Å |
| 53 | E | 91.1 | Very high | 88.8 | Confident | 136 Ų | 136 | 57.4 Ų | 57.4 | 64% | 0.636 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 131.5 | 176.1 | -168 | 178.9 | 170 | 0 | 0 | 110.2 | A61 F63 | E53-A61 HydrophobicContact CG-CB 3.75Å; E53-A61 WeakPolarHBondContact OE1-CB 3.28Å; E53-F63 HydrophobicContact CB-CD1 4.1Å; E53-F63 HydrophobicContact CB-CE1 3.64Å; E53-F63 HydrophobicContact CB-CZ 4.17Å; E53-F63 HydrophobicContact CG-CD1 4.47Å; E53-F63 HydrophobicContact CG-CE1 3.85Å; E53-F63 HydrophobicContact CG-CE2 4.48Å; E53-F63 HydrophobicContact CG-CZ 3.85Å |
| 54 | K | 89 | Confident | 88.7 | Confident | 127 Ų | 127 | 58.8 Ų | 58.8 | 55% | 0.552 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 114.1 | 174.6 | -170.9 | 177.1 | -177.8 | 178.2 | 0 | 109.3 | M56 T62 | K54-M56 PolarHBondContact O-N 3.37Å; K54-T62 PolarHBondContact N-O 2.89Å; K54-T62 PolarHBondContact O-N 2.86Å; K54-T62 PolarHBondContact O-OG1 3.29Å |
| 55 | A | 86 | Confident | 88.7 | Confident | 86 Ų | 86 | 59.4 Ų | 59.4 | 71% | 0.711 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 126.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 56 | M | 80.6 | Confident | 88.6 | Confident | 78 Ų | 78 | 60.6 Ų | 60.6 | 38% | 0.384 | 36% | 0.36 | S | S | . | . | trans | -90.7 | 151.6 | 171.9 | -59.9 | -68.3 | -73.4 | 0 | 0 | 110.3 | K54 T58 G59 T60 T62 | K54-M56 PolarHBondContact O-N 3.37Å; M56-T58 PolarHBondContact O-N 3.13Å; M56-G59 PolarHBondContact O-N 2.92Å; M56-T60 WeakPolarHBondContact CB-O 3.43Å; M56-T60 WeakPolarHBondContact CG-O 3.42Å; M56-T60 PolarHBondContact N-O 3.3Å; M56-T62 HydrophobicContact CG-CG2 3.81Å; M56-T62 HydrophobicContact SD-CG2 4.38Å | ||
| 57 | P | 78.1 | Confident | 88.5 | Confident | 136 Ų | 136 | 64.1 Ų | 64.1 | 88% | 0.883 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -21.6 | 175.9 | -24.9 | 33.9 | 0 | 0 | 0 | 114.1 | G59 | P57-G59 PolarHBondContact O-N 3.14Š|
| 58 | T | 77.9 | Confident | 88.5 | Confident | 111 Ų | 111 | 68.1 Ų | 68.1 | 68% | 0.681 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 0.6 | 177.2 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | M56 T60 | M56-T58 PolarHBondContact O-N 3.13Å; T58-T60 PolarHBondContact O-N 3.25Å; T58-T60 PolarHBondContact OG1-OG1 3.49Å |
| 59 | G | 73.3 | Confident | 88.4 | Confident | 76 Ų | 76 | 70.6 Ų | 70.6 | 78% | 0.784 | 41% | 0.408 | S | S | * | . | S | Bend | trans | 80.3 | -2.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | M56 P57 | M56-G59 PolarHBondContact O-N 2.92Å; P57-G59 PolarHBondContact O-N 3.14Å |
| 60 | T | 75.5 | Confident | 88.3 | Confident | 48 Ų | 48 | 75.5 Ų | 75.5 | 29% | 0.294 | 43% | 0.43 | S | S | . | . | trans | -87.8 | 132.5 | 172.9 | 10.4 | 0 | 0 | 0 | 0 | 110.4 | T8 M56 T58 | T8-T60 HydrophobicContact CG2-CG2 4.13Å; M56-T60 WeakPolarHBondContact CB-O 3.43Å; M56-T60 WeakPolarHBondContact CG-O 3.42Å; M56-T60 PolarHBondContact N-O 3.3Å; T58-T60 PolarHBondContact O-N 3.25Å; T58-T60 PolarHBondContact OG1-OG1 3.49Å | ||
| 61 | A | 81.8 | Confident | 88.2 | Confident | 27 Ų | 27 | 78.1 Ų | 78.1 | 22% | 0.223 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 137.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | E53 | E53-A61 HydrophobicContact CG-CB 3.75Å; E53-A61 WeakPolarHBondContact OE1-CB 3.28Å |
| 62 | T | 88.1 | Confident | 88.2 | Confident | 51 Ų | 51 | 81 Ų | 81 | 31% | 0.313 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 159.9 | 165.2 | 57.3 | 0 | 0 | 0 | 0 | 109.4 | K54 M56 | K54-T62 PolarHBondContact N-O 2.89Å; K54-T62 PolarHBondContact O-N 2.86Å; K54-T62 PolarHBondContact O-OG1 3.29Å; M56-T62 HydrophobicContact CG-CG2 3.81Å; M56-T62 HydrophobicContact SD-CG2 4.38Å |
| 63 | F | 90.1 | Very high | 88.1 | Confident | 71 Ų | 71 | 78.2 Ų | 78.2 | 31% | 0.311 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 141.2 | 177.3 | -70.8 | -90.3 | 0 | 0 | 0 | 110.1 | V10 L51 E52 E53 | V10-F63 HydrophobicContact CG2-CD2 3.84Å; V10-F63 HydrophobicContact CG2-CE2 4.06Å; L51-F63 HydrophobicContact CB-CD1 4.41Å; E52-F63 WeakPolarHBondContact O-CA 3.37Å; E53-F63 HydrophobicContact CB-CD1 4.1Å; E53-F63 HydrophobicContact CB-CE1 3.64Å; E53-F63 HydrophobicContact CB-CZ 4.17Å; E53-F63 HydrophobicContact CG-CD1 4.47Å; E53-F63 HydrophobicContact CG-CE1 3.85Å; E53-F63 HydrophobicContact CG-CE2 4.48Å; E53-F63 HydrophobicContact CG-CZ 3.85Å |
| 64 | V | 91.8 | Very high | 88.2 | Confident | 73 Ų | 73 | 74.5 Ų | 74.5 | 44% | 0.442 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.1 | 167.1 | 179.8 | 0 | 0 | 0 | 0 | 107.1 | E52 | E52-V64 PolarHBondContact N-O 3.06Å; E52-V64 PolarHBondContact O-N 2.89Å |
| 65 | A | 94.3 | Very high | 88.2 | Confident | 12 Ų | 12 | 71.7 Ų | 71.7 | 10% | 0.099 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 127 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A12 V13 L17 F49 L50 L51 | A12-A65 WeakPolarHBondContact O-CB 3.33Å; V13-A65 HydrophobicContact CB-CB 4.37Å; V13-A65 HydrophobicContact CG1-CB 4.49Å; V13-A65 HydrophobicContact CG2-CB 3.71Å; L17-A65 HydrophobicContact CD1-CB 4.29Å; F49-A65 HydrophobicContact CB-CB 4.45Å; F49-A65 HydrophobicContact CD1-CB 4.31Å; L50-A65 WeakPolarHBondContact O-CA 3.47Å; L51-A65 HydrophobicContact CD2-CB 3.69Å |
| 66 | T | 94.6 | Very high | 88.4 | Confident | 62 Ų | 62 | 77.5 Ų | 77.5 | 38% | 0.38 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 116.6 | 172.1 | -57.1 | 0 | 0 | 0 | 0 | 109.3 | F49 L50 Q68 | F49-T66 WeakPolarHBondContact CA-O 3.42Å; L50-T66 PolarHBondContact N-O 2.86Å; L50-T66 PolarHBondContact O-N 3.34Å; T66-Q68 PolarHBondContact O-N 2.91Å; T66-Q68 PolarHBondContact O-NE2 3.25Å |
| 67 | K | 94.2 | Very high | 89.1 | Confident | 74 Ų | 74 | 79 Ų | 79 | 32% | 0.322 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 125.1 | 174 | -167.5 | 175.1 | -165 | 154.5 | 0 | 109.5 | L17 Y47 F49 | L17-K67 PolarHBondContact O-NZ 2.94Å; L17-K67 VanDerWaalsContact O-NZ 3.13Å; Y47-K67 VanDerWaalsContact CE1-NZ 3.34Å; F49-K67 VanDerWaalsContact CD1-CA 3.48Å; F49-K67 HydrophobicContact CD1-CB 3.87Å; F49-K67 HydrophobicContact CD1-CG 4.3Å; F49-K67 HydrophobicContact CE1-CB 3.6Å; F49-K67 HydrophobicContact CE1-CD 4.28Å; F49-K67 HydrophobicContact CE1-CG 3.78Å; F49-K67 HydrophobicContact CZ-CG 4.21Å |
| 68 | Q | 94.6 | Very high | 90 | Very high | 92 Ų | 92 | 74.2 Ų | 74.2 | 43% | 0.43 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -85.3 | 179 | -59.7 | -60.9 | -52.2 | 0 | 0 | 109 | H48 L50 T66 | H48-Q68 WeakPolarHBondContact ND1-CB 3.5Å; H48-Q68 PolarHBondContact O-N 3.26Å; L50-Q68 HydrophobicContact CB-CG 3.99Å; T66-Q68 PolarHBondContact O-N 2.91Å; T66-Q68 PolarHBondContact O-NE2 3.25Å |
| 69 | L | 94 | Very high | 91 | Very high | 67 Ų | 67 | 69 Ų | 69 | 35% | 0.351 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 163.9 | -175.4 | -59.7 | 175.9 | 0 | 0 | 0 | 111 | H48 L105 L107 | H48-L69 HydrophobicContact CB-CB 4.37Å; H48-L69 PolarHBondContact N-O 3.15Å; L69-L105 WeakPolarHBondContact CD1-O 3.44Å; L69-L107 HydrophobicContact CB-CB 3.96Å; L69-L107 HydrophobicContact CD1-CB 4.1Å |
| 70 | H | 94.1 | Very high | 92.1 | Very high | 103 Ų | 103 | 69 Ų | 69 | 48% | 0.477 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 150.8 | 167.1 | 65.8 | -85.8 | 0 | 0 | 0 | 110.9 | F45 I46 Y47 | F45-H70 AromaticContact CD1-CD2 4Å; F45-H70 AromaticContact CE1-CD2 3.81Å; I46-H70 CarbonylContact O-C 3.54Å; I46-H70 WeakPolarHBondContact O-CA 3.43Å; Y47-H70 HydrophobicContact CD1-CB 3.41Å; Y47-H70 VanDerWaalsContact CD1-CB 3.41Å; Y47-H70 HydrophobicContact CE1-CB 3.68Å; Y47-H70 HydrophobicContact CG-CB 4.31Å |
| 71 | R | 94 | Very high | 93.2 | Very high | 97 Ų | 97 | 72.2 Ų | 72.2 | 37% | 0.366 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 136.3 | 177.2 | 169.1 | 179 | -66.6 | 163.4 | 19.1 | 111.5 | F45 I46 L73 N106 L107 | F45-R71 CarbonylContact C-O 3.44Å; F45-R71 VanDerWaalsContact CA-O 3.31Å; F45-R71 WeakPolarHBondContact CA-O 3.26Å; I46-R71 PolarHBondContact N-O 2.65Å; I46-R71 PolarHBondContact O-N 2.99Å; R71-L73 HydrophobicContact CG-CD2 4.5Å; R71-N106 PolarHBondContact NH2-O 3.43Å; R71-L107 HydrophobicContact CB-CD2 4.39Å; R71-L107 WeakPolarHBondContact CB-OXT 3.18Å; R71-L107 WeakPolarHBondContact CD-OXT 3.38Å; R71-L107 WeakPolarHBondContact CG-OXT 3.44Å; R71-L107 PolarHBondContact NE-O 2.77Å; R71-L107 PolarHBondContact NE-OXT 2.79Å; R71-L107 PolarHBondContact NH2-O 2.94Å; R71-L107 PolarHBondContact NH2-OXT 3.5Å |
| 72 | H | 94.5 | Very high | 94 | Very high | 85 Ų | 85 | 71.3 Ų | 71.3 | 39% | 0.394 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 130.8 | 163.6 | -173.6 | -98.2 | 0 | 0 | 0 | 109.1 | D43 C44 F45 G74 F75 | D43-H72 PolarHBondContact O-CD2 2.78Å; D43-H72 PolarHBondContact O-NE2 3.23Å; C44-H72 WeakPolarHBondContact O-CA 3.2Å; F45-H72 HydrophobicContact CD1-CB 4.06Å; F45-H72 HydrophobicContact CD2-CB 4.38Å; F45-H72 AromaticContact CD2-CD2 3.66Å; F45-H72 HydrophobicContact CE1-CB 3.68Å; F45-H72 HydrophobicContact CE2-CB 4.04Å; F45-H72 AromaticContact CE2-CD2 3.41Å; F45-H72 VanDerWaalsContact CE2-CD2 3.41Å; F45-H72 WeakPolarHBondContact CE2-CD2 3.49Å; F45-H72 HydrophobicContact CG-CB 4.39Å; F45-H72 HydrophobicContact CZ-CB 3.67Å; F45-H72 AromaticContact CZ-CD2 3.93Å; H72-G74 VanDerWaalsContact C-N 3.26Å; H72-G74 PolarHBondContact CE1-N 2.99Å; H72-G74 WeakPolarHBondContact ND1-CA 3.41Å; H72-G74 PolarHBondContact ND1-N 3.42Å; H72-G74 PolarHBondContact O-N 2.9Å; H72-F75 PolarHBondContact CE1-O 3.25Å; H72-F75 VanDerWaalsContact CE1-O 3.31Å; H72-F75 PolarHBondContact NE2-O 3.34Å |
| 73 | L | 93.5 | Very high | 94.5 | Very high | 30 Ų | 30 | 71.6 Ų | 71.6 | 16% | 0.157 | 36% | 0.363 | C | S | . | . | trans | -80.9 | -5.6 | -176.6 | -54.9 | 169.6 | 0 | 0 | 0 | 113.8 | C44 I46 R71 F75 V79 V93 C95 V102 | C44-L73 PolarHBondContact O-N 2.82Å; I46-L73 HydrophobicContact CD1-CD1 4.16Å; I46-L73 HydrophobicContact CD1-CD2 3.82Å; I46-L73 HydrophobicContact CD1-CG 4.31Å; I46-L73 HydrophobicContact CG1-CD1 4.31Å; I46-L73 HydrophobicContact CG1-CD2 4.37Å; I46-L73 HydrophobicContact CG1-CG 4.43Å; R71-L73 HydrophobicContact CG-CD2 4.5Å; L73-F75 HydrophobicContact CB-CD2 3.81Å; L73-F75 HydrophobicContact CB-CE2 4.14Å; L73-V79 HydrophobicContact CD1-CG2 3.77Å; L73-V93 HydrophobicContact CD1-CG1 3.56Å; L73-C95 HydrophobicContact CD1-CB 3.96Å; L73-V102 HydrophobicContact CD2-CG1 4.45Å | ||
| 74 | G | 92.1 | Very high | 94.9 | Very high | 59 Ų | 59 | 69.3 Ų | 69.3 | 61% | 0.608 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 89.9 | -2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | H72 | H72-G74 VanDerWaalsContact C-N 3.26Å; H72-G74 PolarHBondContact CE1-N 2.99Å; H72-G74 WeakPolarHBondContact ND1-CA 3.41Å; H72-G74 PolarHBondContact ND1-N 3.42Å; H72-G74 PolarHBondContact O-N 2.9Å |
| 75 | F | 90.4 | Very high | 95.1 | Very high | 68 Ų | 68 | 67 Ų | 67 | 30% | 0.298 | 35% | 0.346 | S | S | . | . | trans | -93.4 | 173.6 | 174.6 | -50.8 | -81.2 | 0 | 0 | 0 | 111.6 | C44 H72 L73 D96 | C44-F75 WeakPolarHBondContact CB-O 3.29Å; C44-F75 VanDerWaalsContact SG-CB 3.59Å; H72-F75 PolarHBondContact CE1-O 3.25Å; H72-F75 VanDerWaalsContact CE1-O 3.31Å; H72-F75 PolarHBondContact NE2-O 3.34Å; L73-F75 HydrophobicContact CB-CD2 3.81Å; L73-F75 HydrophobicContact CB-CE2 4.14Å; F75-D96 HydrophobicContact CB-CB 4.29Å; F75-D96 HydrophobicContact CD1-CB 3.87Å; F75-D96 WeakPolarHBondContact CD1-OD2 2.82Å; F75-D96 HydrophobicContact CE1-CB 4.39Å; F75-D96 HydrophobicContact CG-CB 4.03Å | ||
| 76 | K | 89.3 | Confident | 95.1 | Very high | 208 Ų | 208 | 69.7 Ų | 69.7 | 90% | 0.904 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -114.1 | 32.3 | 172.5 | -63.7 | -175.9 | 178.2 | -178.8 | 0 | 111.2 | ||
| 77 | K | 95.2 | Very high | 95.1 | Very high | 108 Ų | 108 | 71.4 Ų | 71.4 | 47% | 0.47 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -126.1 | 153.8 | -176.2 | -66.5 | -63.5 | -171.6 | 174 | 0 | 110.2 | C44 D96 | C44-K77 WeakPolarHBondContact CA-O 3.34Å; C44-K77 WeakPolarHBondContact CB-O 3.37Å; K77-D96 HydrophobicContact CB-CB 4.11Å; K77-D96 HydrophobicContact CG-CB 3.99Å; K77-D96 WeakPolarHBondContact CG-OD1 3.42Å |
| 78 | P | 97.2 | Very high | 95.2 | Very high | 37 Ų | 37 | 73.5 Ų | 73.5 | 24% | 0.24 | 40% | 0.399 | C | S | . | . | trans | -55.4 | 149.7 | 173.6 | -28.2 | 37.6 | 0 | 0 | 0 | 113.1 | E28 N42 N80 C95 | E28-P78 HydrophobicContact CG-CB 4.07Å; N42-P78 HydrophobicContact CB-CG 4.43Å; P78-N80 PolarHBondContact O-N 3.25Å; P78-N80 PolarHBondContact O-OD1 3.01Å; P78-C95 PolarHBondContact O-SG 2.99Å | ||
| 79 | V | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 103.3 | 158.7 | -176.2 | 0 | 0 | 0 | 0 | 107.3 | E28 C29 T41 F45 I46 L73 L82 V93 | E28-V79 VanDerWaalsContact CB-O 3.24Å; E28-V79 WeakPolarHBondContact CB-O 3.4Å; C29-V79 PolarHBondContact SG-O 2.54Å; T41-V79 PolarHBondContact O-N 3.27Å; F45-V79 WeakPolarHBondContact O-CG2 3.15Å; I46-V79 HydrophobicContact CG1-CG1 4.42Å; I46-V79 HydrophobicContact CG1-CG2 4.21Å; L73-V79 HydrophobicContact CD1-CG2 3.77Å; V79-L82 HydrophobicContact CG1-CD2 3.7Å; V79-L82 HydrophobicContact CG1-CG 3.98Å; V79-V93 HydrophobicContact CG1-CG1 3.91Å |
| 80 | N | 98.1 | Very high | 95.3 | Very high | 77 Ų | 77 | 74.1 Ų | 74.1 | 41% | 0.412 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -34 | -171.6 | -65.5 | 107.3 | 0 | 0 | 0 | 113.1 | P78 L94 | P78-N80 PolarHBondContact O-N 3.25Å; P78-N80 PolarHBondContact O-OD1 3.01Å; N80-L94 HydrophobicContact CB-CD2 4.07Å; N80-L94 HydrophobicContact CB-CG 4.11Å; N80-L94 PolarHBondContact N-O 3.36Å |
| 81 | E | 98.4 | Very high | 95.5 | Very high | 115 Ų | 115 | 69.2 Ų | 69.2 | 54% | 0.537 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 144.5 | -178 | -162 | 173.3 | 173.1 | 0 | 0 | 110.9 | L94 | E81-L94 HydrophobicContact CB-CB 3.82Å; E81-L94 HydrophobicContact CB-CD2 4.11Å; E81-L94 PolarHBondContact O-N 2.84Å |
| 82 | L | 98.5 | Very high | 95.7 | Very high | 8 Ų | 8 | 67.4 Ų | 67.4 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136.5 | 172.2 | -67.4 | 177.9 | 0 | 0 | 0 | 108.2 | E31 I46 V79 L91 L92 V93 | E31-L82 HydrophobicContact CB-CB 3.66Å; I46-L82 HydrophobicContact CD1-CD2 3.96Å; I46-L82 HydrophobicContact CG1-CD2 4.31Å; I46-L82 HydrophobicContact CG2-CD1 4.21Å; V79-L82 HydrophobicContact CG1-CD2 3.7Å; V79-L82 HydrophobicContact CG1-CG 3.98Å; L82-L91 HydrophobicContact CB-CD1 4.31Å; L82-L91 HydrophobicContact CD1-CD2 4.44Å; L82-L91 HydrophobicContact CD2-CD2 3.85Å; L82-L91 HydrophobicContact CD2-CG 4.13Å; L82-L92 WeakPolarHBondContact CA-O 3.45Å; L82-V93 HydrophobicContact CD2-CB 4.24Å; L82-V93 HydrophobicContact CD2-CG1 4.05Å; L82-V93 HydrophobicContact CD2-CG2 3.84Å |
| 83 | C | 98.3 | Very high | 95.9 | Very high | 58 Ų | 58 | 63.4 Ų | 63.4 | 39% | 0.392 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 127.1 | 176.3 | -179 | 0 | 0 | 0 | 0 | 110.5 | A85 L92 | C83-A85 PolarHBondContact O-N 2.87Å; C83-L92 HydrophobicContact CB-CB 4.12Å; C83-L92 PolarHBondContact N-O 2.85Å; C83-L92 PolarHBondContact O-N 3.31Å |
| 84 | A | 97.8 | Very high | 96.1 | Very high | 23 Ų | 23 | 64.5 Ų | 64.5 | 19% | 0.19 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 111.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E31 C33 S86 M104 | E31-A84 HydrophobicContact CG-CB 3.81Å; E31-A84 WeakPolarHBondContact OE1-CB 3.37Å; E31-A84 PolarHBondContact OE1-N 3.27Å; C33-A84 HydrophobicContact CB-CB 3.93Å; A84-S86 VanDerWaalsContact C-N 3.27Å; A84-S86 PolarHBondContact O-N 2.8Å; A84-M104 HydrophobicContact CB-CE 3.42Å; A84-M104 VanDerWaalsContact CB-CE 3.42Å |
| 85 | A | 96.8 | Very high | 96.3 | Very high | 24 Ų | 24 | 61.7 Ų | 61.7 | 20% | 0.198 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 68.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | C83 A87 L88 N89 R90 L92 | C83-A85 PolarHBondContact O-N 2.87Å; A85-A87 VanDerWaalsContact C-N 3.31Å; A85-A87 PolarHBondContact O-N 3.38Å; A85-L88 HydrophobicContact CB-CB 4.4Å; A85-L88 HydrophobicContact CB-CD1 4.32Å; A85-L88 PolarHBondContact O-N 3.3Å; A85-N89 PolarHBondContact O-N 3.3Å; A85-R90 CarbonylContact C-O 3.56Å; A85-R90 WeakPolarHBondContact CA-O 3.4Å; A85-R90 HydrophobicContact CB-CB 4.28Å; A85-R90 PolarHBondContact N-O 3.16Å; A85-R90 PolarHBondContact O-N 3.13Å; A85-L92 HydrophobicContact CB-CD1 3.55Å |
| 86 | S | 94.1 | Very high | 96.5 | Very high | 68 Ų | 68 | 61.9 Ų | 61.9 | 48% | 0.476 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -56.1 | -39.7 | -170.1 | 59.5 | 0 | 0 | 0 | 0 | 113.6 | C33 A84 L88 N89 | C33-S86 WeakPolarHBondContact SG-CB 3.46Å; A84-S86 VanDerWaalsContact C-N 3.27Å; A84-S86 PolarHBondContact O-N 2.8Å; S86-L88 PolarHBondContact O-N 3.25Å; S86-L88 VanDerWaalsContact O-N 3.14Å; S86-N89 PolarHBondContact O-N 2.87Å; S86-N89 VanDerWaalsContact O-N 3.13Å; S86-N89 PolarHBondContact O-OD1 3.05Å |
| 87 | A | 95 | Very high | 96.7 | Very high | 99 Ų | 99 | 59.7 Ų | 59.7 | 82% | 0.818 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -62.8 | -19.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A85 | A85-A87 VanDerWaalsContact C-N 3.31Å; A85-A87 PolarHBondContact O-N 3.38Å |
| 88 | L | 95.3 | Very high | 96.7 | Very high | 118 Ų | 118 | 56.2 Ų | 56.2 | 62% | 0.618 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -103.5 | -0.6 | -179.8 | -58 | -179.6 | 0 | 0 | 0 | 112.8 | A85 S86 R90 | A85-L88 HydrophobicContact CB-CB 4.4Å; A85-L88 HydrophobicContact CB-CD1 4.32Å; A85-L88 PolarHBondContact O-N 3.3Å; S86-L88 PolarHBondContact O-N 3.25Å; S86-L88 VanDerWaalsContact O-N 3.14Å; L88-R90 HydrophobicContact CB-CB 4.24Å; L88-R90 HydrophobicContact CB-CG 4.03Å; L88-R90 PolarHBondContact O-N 3.4Å; L88-R90 PolarHBondContact O-NH1 3.09Å; L88-R90 VanDerWaalsContact O-NH1 3.09Å |
| 89 | N | 94.9 | Very high | 96.8 | Very high | 81 Ų | 81 | 60.7 Ų | 60.7 | 43% | 0.433 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 44.3 | -166.7 | -64 | -29.3 | 0 | 0 | 0 | 111.2 | A85 S86 M104 | A85-N89 PolarHBondContact O-N 3.3Å; S86-N89 PolarHBondContact O-N 2.87Å; S86-N89 VanDerWaalsContact O-N 3.13Å; S86-N89 PolarHBondContact O-OD1 3.05Å; N89-M104 PolarHBondContact O-N 3.27Å |
| 90 | R | 96.8 | Very high | 96.7 | Very high | 90 Ų | 90 | 63.1 Ų | 63.1 | 34% | 0.34 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 143.5 | 179.1 | -67.2 | -61.1 | -178.3 | -78.2 | -4.5 | 111.4 | A85 L88 L101 V102 M104 | A85-R90 CarbonylContact C-O 3.56Å; A85-R90 WeakPolarHBondContact CA-O 3.4Å; A85-R90 HydrophobicContact CB-CB 4.28Å; A85-R90 PolarHBondContact N-O 3.16Å; A85-R90 PolarHBondContact O-N 3.13Å; L88-R90 HydrophobicContact CB-CB 4.24Å; L88-R90 HydrophobicContact CB-CG 4.03Å; L88-R90 PolarHBondContact O-N 3.4Å; L88-R90 PolarHBondContact O-NH1 3.09Å; L88-R90 VanDerWaalsContact O-NH1 3.09Å; R90-L101 HydrophobicContact CB-CD2 3.82Å; R90-L101 HydrophobicContact CG-CD2 4.32Å; R90-V102 CarbonylContact C-O 3.55Å; R90-V102 VanDerWaalsContact CA-O 3.28Å; R90-V102 WeakPolarHBondContact CA-O 3.38Å; R90-V102 WeakPolarHBondContact CD-O 3.41Å; R90-M104 WeakPolarHBondContact O-CE 3.31Å |
| 91 | L | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 121.4 | 168 | -171.8 | 69.1 | 0 | 0 | 0 | 107.6 | E31 Y38 I46 L82 V93 L101 V102 M104 | E31-L91 HydrophobicContact CG-CD1 4.16Å; Y38-L91 HydrophobicContact CD1-CD2 3.99Å; Y38-L91 HydrophobicContact CD2-CD1 3.9Å; Y38-L91 HydrophobicContact CD2-CD2 4.32Å; Y38-L91 HydrophobicContact CE2-CD1 4.43Å; Y38-L91 HydrophobicContact CG-CD1 4.19Å; Y38-L91 HydrophobicContact CG-CD2 3.81Å; I46-L91 HydrophobicContact CD1-CD2 4.45Å; I46-L91 HydrophobicContact CG2-CD2 4.11Å; L82-L91 HydrophobicContact CB-CD1 4.31Å; L82-L91 HydrophobicContact CD1-CD2 4.44Å; L82-L91 HydrophobicContact CD2-CD2 3.85Å; L82-L91 HydrophobicContact CD2-CG 4.13Å; L91-V93 HydrophobicContact CG-CG2 4.41Å; L91-L101 WeakPolarHBondContact O-CA 3.4Å; L91-V102 HydrophobicContact CB-CG2 3.76Å; L91-V102 HydrophobicContact CD2-CG2 4.23Å; L91-V102 HydrophobicContact CG-CG2 4.45Å; L91-V102 PolarHBondContact N-O 3.33Å; L91-V102 PolarHBondContact O-N 3.45Å; L91-M104 HydrophobicContact CB-CE 4.09Å; L91-M104 HydrophobicContact CB-CG 4.06Å; L91-M104 HydrophobicContact CD1-CE 3.93Å |
| 92 | L | 98 | Very high | 96.4 | Very high | 59 Ų | 59 | 59.6 Ų | 59.6 | 31% | 0.309 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 137 | 169 | -75.8 | 74.7 | 0 | 0 | 0 | 107.9 | L82 C83 A85 T100 L101 | L82-L92 WeakPolarHBondContact CA-O 3.45Å; C83-L92 HydrophobicContact CB-CB 4.12Å; C83-L92 PolarHBondContact N-O 2.85Å; C83-L92 PolarHBondContact O-N 3.31Å; A85-L92 HydrophobicContact CB-CD1 3.55Å; L92-T100 WeakPolarHBondContact CA-O 3.44Å; L92-L101 HydrophobicContact CB-CD2 4.48Å; L92-L101 HydrophobicContact CD1-CD2 3.51Å; L92-L101 HydrophobicContact CG-CD2 3.61Å |
| 93 | V | 98 | Very high | 96.2 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 118.5 | -175.1 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | I46 L73 V79 L82 L91 C95 I99 T100 V102 | I46-V93 HydrophobicContact CD1-CB 4.41Å; I46-V93 HydrophobicContact CD1-CG1 3.89Å; I46-V93 HydrophobicContact CD1-CG2 3.58Å; L73-V93 HydrophobicContact CD1-CG1 3.56Å; V79-V93 HydrophobicContact CG1-CG1 3.91Å; L82-V93 HydrophobicContact CD2-CB 4.24Å; L82-V93 HydrophobicContact CD2-CG1 4.05Å; L82-V93 HydrophobicContact CD2-CG2 3.84Å; L91-V93 HydrophobicContact CG-CG2 4.41Å; V93-C95 HydrophobicContact CG1-CB 4.34Å; V93-I99 WeakPolarHBondContact O-CA 3.45Å; V93-T100 PolarHBondContact N-O 3.32Å; V93-T100 PolarHBondContact O-N 3.43Å; V93-V102 HydrophobicContact CG2-CG1 4.27Å; V93-V102 HydrophobicContact CG2-CG2 3.89Å |
| 94 | L | 98.1 | Very high | 96 | Very high | 53 Ų | 53 | 59.2 Ų | 59.2 | 28% | 0.277 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 112.9 | 168.8 | 179.6 | 63.2 | 0 | 0 | 0 | 109.1 | N80 E81 S98 I99 | N80-L94 HydrophobicContact CB-CD2 4.07Å; N80-L94 HydrophobicContact CB-CG 4.11Å; N80-L94 PolarHBondContact N-O 3.36Å; E81-L94 HydrophobicContact CB-CB 3.82Å; E81-L94 HydrophobicContact CB-CD2 4.11Å; E81-L94 PolarHBondContact O-N 2.84Å; L94-S98 WeakPolarHBondContact CA-O 3.03Å; L94-I99 HydrophobicContact CD1-CG1 3.9Å |
| 95 | C | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 139.8 | 177.2 | -174.3 | 0 | 0 | 0 | 0 | 110 | C44 L73 P78 V93 N97 S98 | C44-C95 VanDerWaalsContact SG-SG 3.67Å; L73-C95 HydrophobicContact CD1-CB 3.96Å; P78-C95 PolarHBondContact O-SG 2.99Å; V93-C95 HydrophobicContact CG1-CB 4.34Å; C95-N97 VanDerWaalsContact C-N 3.28Å; C95-N97 PolarHBondContact O-N 3.07Å; C95-S98 PolarHBondContact N-O 3.31Å; C95-S98 PolarHBondContact O-N 2.64Å; C95-S98 VanDerWaalsContact O-O 3.1Å; C95-S98 PolarHBondContact O-OG 3.49Å |
| 96 | D | 94.2 | Very high | 94.8 | Very high | 72 Ų | 72 | 67.8 Ų | 67.8 | 39% | 0.385 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 44.9 | 180 | -162.7 | 31 | 0 | 0 | 0 | 113.5 | F75 K77 S98 | F75-D96 HydrophobicContact CB-CB 4.29Å; F75-D96 HydrophobicContact CD1-CB 3.87Å; F75-D96 WeakPolarHBondContact CD1-OD2 2.82Å; F75-D96 HydrophobicContact CE1-CB 4.39Å; F75-D96 HydrophobicContact CG-CB 4.03Å; K77-D96 HydrophobicContact CB-CB 4.11Å; K77-D96 HydrophobicContact CG-CB 3.99Å; K77-D96 WeakPolarHBondContact CG-OD1 3.42Å; D96-S98 PolarHBondContact O-N 3.37Å |
| 97 | N | 93.3 | Very high | 94.3 | Very high | 162 Ų | 162 | 65.2 Ų | 65.2 | 87% | 0.866 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 19.7 | -176.5 | -57.2 | -11.5 | 0 | 0 | 0 | 114.6 | C95 | C95-N97 VanDerWaalsContact C-N 3.28Å; C95-N97 PolarHBondContact O-N 3.07Å |
| 98 | S | 95.9 | Very high | 94.3 | Very high | 36 Ų | 36 | 63.6 Ų | 63.6 | 25% | 0.252 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 143.1 | 176.7 | 75.9 | 0 | 0 | 0 | 0 | 110.8 | L94 C95 D96 | L94-S98 WeakPolarHBondContact CA-O 3.03Å; C95-S98 PolarHBondContact N-O 3.31Å; C95-S98 PolarHBondContact O-N 2.64Å; C95-S98 VanDerWaalsContact O-O 3.1Å; C95-S98 PolarHBondContact O-OG 3.49Å; D96-S98 PolarHBondContact O-N 3.37Å |
| 99 | I | 97.3 | Very high | 94.2 | Very high | 130 Ų | 130 | 60.7 Ų | 60.7 | 67% | 0.667 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 118.7 | 171.8 | -59.8 | 172.6 | 0 | 0 | 0 | 107.4 | V93 L94 | V93-I99 WeakPolarHBondContact O-CA 3.45Å; L94-I99 HydrophobicContact CD1-CG1 3.9Å |
| 100 | T | 96.1 | Very high | 94.2 | Very high | 51 Ų | 51 | 59.6 Ų | 59.6 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 161.1 | 179 | 61.9 | 0 | 0 | 0 | 0 | 110.9 | L92 V93 | L92-T100 WeakPolarHBondContact CA-O 3.44Å; V93-T100 PolarHBondContact N-O 3.32Å; V93-T100 PolarHBondContact O-N 3.43Å |
| 101 | L | 95.6 | Very high | 94 | Very high | 106 Ų | 106 | 57.8 Ų | 57.8 | 56% | 0.555 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 122.8 | 176.2 | -74.3 | 163.2 | 0 | 0 | 0 | 108.9 | R90 L91 L92 | R90-L101 HydrophobicContact CB-CD2 3.82Å; R90-L101 HydrophobicContact CG-CD2 4.32Å; L91-L101 WeakPolarHBondContact O-CA 3.4Å; L92-L101 HydrophobicContact CB-CD2 4.48Å; L92-L101 HydrophobicContact CD1-CD2 3.51Å; L92-L101 HydrophobicContact CG-CD2 3.61Å |
| 102 | V | 95.1 | Very high | 93.8 | Very high | 12 Ų | 12 | 61.4 Ų | 61.4 | 7% | 0.073 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 152.2 | 171.7 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | I46 L73 R90 L91 V93 L107 | I46-V102 HydrophobicContact CD1-CG2 4.42Å; L73-V102 HydrophobicContact CD2-CG1 4.45Å; R90-V102 CarbonylContact C-O 3.55Å; R90-V102 VanDerWaalsContact CA-O 3.28Å; R90-V102 WeakPolarHBondContact CA-O 3.38Å; R90-V102 WeakPolarHBondContact CD-O 3.41Å; L91-V102 HydrophobicContact CB-CG2 3.76Å; L91-V102 HydrophobicContact CD2-CG2 4.23Å; L91-V102 HydrophobicContact CG-CG2 4.45Å; L91-V102 PolarHBondContact N-O 3.33Å; L91-V102 PolarHBondContact O-N 3.45Å; V93-V102 HydrophobicContact CG2-CG1 4.27Å; V93-V102 HydrophobicContact CG2-CG2 3.89Å; V102-L107 HydrophobicContact CG2-CD2 4.36Å |
| 103 | N | 94.6 | Very high | 93.5 | Very high | 49 Ų | 49 | 61.5 Ų | 61.5 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 127 | 175.5 | -170.8 | -39.7 | 0 | 0 | 0 | 109.5 | L105 N106 L107 | N103-L105 VanDerWaalsContact C-N 3.26Å; N103-L105 PolarHBondContact O-N 3.03Å; N103-L105 WeakPolarHBondContact OD1-CB 3.5Å; N103-L105 PolarHBondContact OD1-N 3.39Å; N103-N106 CarbonylContact O-C 3.53Å; N103-N106 PolarHBondContact O-N 2.94Å; N103-L107 PolarHBondContact O-N 2.71Å |
| 104 | M | 93.5 | Very high | 93.2 | Very high | 9 Ų | 9 | 65.9 Ų | 65.9 | 4% | 0.044 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -64.7 | -26.2 | -180 | -77.7 | 172 | 165.3 | 0 | 0 | 114.2 | C33 Y38 A84 N89 R90 L91 | C33-M104 HydrophobicContact CB-CE 4.35Å; Y38-M104 HydrophobicContact CE2-CE 4.02Å; Y38-M104 HydrophobicContact CE2-CG 4.31Å; Y38-M104 HydrophobicContact CE2-SD 4.48Å; Y38-M104 WeakPolarHBondContact OH-CB 3.3Å; A84-M104 HydrophobicContact CB-CE 3.42Å; A84-M104 VanDerWaalsContact CB-CE 3.42Å; N89-M104 PolarHBondContact O-N 3.27Å; R90-M104 WeakPolarHBondContact O-CE 3.31Å; L91-M104 HydrophobicContact CB-CE 4.09Å; L91-M104 HydrophobicContact CB-CG 4.06Å; L91-M104 HydrophobicContact CD1-CE 3.93Å |
| 105 | L | 85.3 | Confident | 92.8 | Very high | 114 Ų | 114 | 66.8 Ų | 66.8 | 60% | 0.597 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -84.6 | -27.2 | -177 | -59.7 | 176.6 | 0 | 0 | 0 | 113 | L69 N103 | L69-L105 WeakPolarHBondContact CD1-O 3.44Å; N103-L105 VanDerWaalsContact C-N 3.26Å; N103-L105 PolarHBondContact O-N 3.03Å; N103-L105 WeakPolarHBondContact OD1-CB 3.5Å; N103-L105 PolarHBondContact OD1-N 3.39Å |
| 106 | N | 83.8 | Confident | 92.4 | Very high | 113 Ų | 113 | 72.4 Ų | 72.4 | 60% | 0.604 | 39% | 0.391 | S | S | * | . | trans | -130.6 | 66.1 | -177.4 | -67.5 | -36.1 | 0 | 0 | 0 | 107.6 | R71 N103 | R71-N106 PolarHBondContact NH2-O 3.43Å; N103-N106 CarbonylContact O-C 3.53Å; N103-N106 PolarHBondContact O-N 2.94Å | ||
| 107 | L | 84.5 | Confident | 92.3 | Very high | 15 Ų | 15 | 72.5 Ų | 72.5 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | trans | -66.6 | 0 | -176.7 | -127.4 | 152.4 | 0 | 0 | 0 | 113 | Y38 I46 H48 L69 R71 V102 N103 | Y38-L107 HydrophobicContact CD1-CD1 3.4Å; Y38-L107 HydrophobicContact CE1-CD1 3.26Å; I46-L107 HydrophobicContact CB-CD2 3.7Å; I46-L107 HydrophobicContact CD1-CD2 4.23Å; I46-L107 HydrophobicContact CG2-CD1 4.36Å; I46-L107 HydrophobicContact CG2-CD2 3.57Å; H48-L107 HydrophobicContact CB-CD1 3.91Å; L69-L107 HydrophobicContact CB-CB 3.96Å; L69-L107 HydrophobicContact CD1-CB 4.1Å; R71-L107 HydrophobicContact CB-CD2 4.39Å; R71-L107 WeakPolarHBondContact CB-OXT 3.18Å; R71-L107 WeakPolarHBondContact CD-OXT 3.38Å; R71-L107 WeakPolarHBondContact CG-OXT 3.44Å; R71-L107 PolarHBondContact NE-O 2.77Å; R71-L107 PolarHBondContact NE-OXT 2.79Å; R71-L107 PolarHBondContact NH2-O 2.94Å; R71-L107 PolarHBondContact NH2-OXT 3.5Å; V102-L107 HydrophobicContact CG2-CD2 4.36Å; N103-L107 PolarHBondContact O-N 2.71Å |
Retrieved 107 of 107 residues in 28.4 ms
(Link to these results)