| 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 | 44.1 | Very low | 40.5 | Very low | 245 Ų | 245 | 169.1 Ų | 169.1 | 100% | 1.207 | 90% | 0.898 | S | S | * | * | 0 | 86.6 | 0 | -165.4 | 176.7 | -84 | 0 | 0 | 105.9 | |||||
| 2 | K | 40.3 | Very low | 41.2 | Very low | 208 Ų | 208 | 170.8 Ų | 170.8 | 90% | 0.904 | 90% | 0.897 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 124 | -170.7 | -84 | -179 | 172 | -177.6 | 0 | 108.3 | ||
| 3 | L | 39.3 | Very low | 42.3 | Very low | 178 Ų | 178 | 172.6 Ų | 172.6 | 93% | 0.932 | 89% | 0.893 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 125.8 | 173.3 | -80.1 | 132.1 | 0 | 0 | 0 | 109.8 | ||
| 4 | E | 41.5 | Very low | 43.9 | Very low | 187 Ų | 187 | 173.7 Ų | 173.7 | 87% | 0.874 | 88% | 0.88 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 116.8 | 166.5 | -77.3 | 172.9 | 154 | 0 | 0 | 108.7 | M6 | E4-M6 PolarHBondContact O-N 3.28Š|
| 5 | E | 43.6 | Very low | 45.9 | Very low | 194 Ų | 194 | 170.1 Ų | 170.1 | 91% | 0.907 | 86% | 0.856 | S | S | * | * | trans | -69.5 | 114 | 170.2 | -116.9 | 173.4 | 156.7 | 0 | 0 | 109 | A7 | E5-A7 PolarHBondContact O-N 2.82Š| ||
| 6 | M | 40.1 | Very low | 48.4 | Very low | 179 Ų | 179 | 167.4 Ų | 167.4 | 88% | 0.882 | 84% | 0.839 | S | S | * | * | trans | -70.6 | 107.7 | 170.1 | -67.5 | 177.9 | 74.2 | 0 | 0 | 109.1 | E4 Q8 | E4-M6 PolarHBondContact O-N 3.28Å; M6-Q8 PolarHBondContact O-N 3.31Å | ||
| 7 | A | 41.1 | Very low | 51 | Low | 99 Ų | 99 | 161.3 Ų | 161.3 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 118.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | E5 | E5-A7 PolarHBondContact O-N 2.82Š|
| 8 | Q | 35.9 | Very low | 53.5 | Low | 175 Ų | 175 | 153.6 Ų | 153.6 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -66 | 141.1 | 167.4 | -76.4 | 173.6 | -0.9 | 0 | 0 | 109.6 | M6 L10 | M6-Q8 PolarHBondContact O-N 3.31Å; Q8-L10 PolarHBondContact O-N 2.75Å |
| 9 | P | 37.6 | Very low | 55.7 | Low | 124 Ų | 124 | 151.6 Ų | 151.6 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -67 | 132.5 | 177.2 | 21.4 | -20.5 | 0 | 0 | 0 | 109.9 | A11 | P9-A11 PolarHBondContact O-N 3.26Š|
| 10 | L | 39 | Very low | 57.8 | Low | 169 Ų | 169 | 145.3 Ų | 145.3 | 89% | 0.885 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 120.1 | 172.1 | -100.1 | 88.7 | 0 | 0 | 0 | 109.2 | Q8 Q12 | Q8-L10 PolarHBondContact O-N 2.75Å; L10-Q12 PolarHBondContact O-N 2.5Å |
| 11 | A | 43.1 | Very low | 59.6 | Low | 102 Ų | 102 | 144.2 Ų | 144.2 | 84% | 0.843 | 72% | 0.715 | S | S | * | * | trans | -61.9 | 109.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | P9 K13 | P9-A11 PolarHBondContact O-N 3.26Å; A11-K13 PolarHBondContact O-N 2.76Å | ||
| 12 | Q | 48.9 | Very low | 61.9 | Low | 190 Ų | 190 | 132.7 Ų | 132.7 | 89% | 0.888 | 66% | 0.658 | S | S | * | * | trans | -66.6 | 113 | 178.7 | -147.9 | 156.2 | -5.5 | 0 | 0 | 108.4 | L10 R14 | L10-Q12 PolarHBondContact O-N 2.5Å; Q12-R14 PolarHBondContact O-N 3.24Å | ||
| 13 | K | 55.1 | Low | 64.2 | Low | 194 Ų | 194 | 127.4 Ų | 127.4 | 84% | 0.843 | 65% | 0.645 | S | S | * | * | trans | -60.6 | 111.4 | -177.7 | -155.1 | 179.9 | -176.7 | -170.3 | 0 | 108.3 | A11 | A11-K13 PolarHBondContact O-N 2.76Š| ||
| 14 | R | 64.7 | Low | 66.6 | Low | 188 Ų | 188 | 120.4 Ų | 120.4 | 71% | 0.709 | 61% | 0.606 | S | S | * | * | trans | -60.2 | 139.8 | -180 | -76.9 | -177.4 | 171.3 | 175.4 | -3.9 | 110 | Q12 | Q12-R14 PolarHBondContact O-N 3.24Š| ||
| 15 | K | 74.1 | Confident | 68.9 | Low | 120 Ų | 120 | 115.3 Ų | 115.3 | 52% | 0.522 | 59% | 0.585 | S | S | . | * | trans | -63 | 140.4 | 174.2 | -67.2 | -177.8 | -178.9 | 174.9 | 0 | 109.2 | Y18 | K15-Y18 HydrophobicContact CB-CE1 4.01Å; K15-Y18 HydrophobicContact CB-CE2 4.2Å; K15-Y18 HydrophobicContact CD-CD1 4.25Å; K15-Y18 HydrophobicContact CD-CE1 3.97Å; K15-Y18 HydrophobicContact CG-CE1 4.46Å | ||
| 16 | E | 86.6 | Confident | 71.2 | Confident | 127 Ų | 127 | 106.1 Ų | 106.1 | 59% | 0.593 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -93.4 | -13.3 | 176.8 | -68.2 | 173.2 | 172.8 | 0 | 0 | 112.1 | R387 | E16-R387 HydrophobicContact CB-CB 4.49Å; E16-R387 PolarHBondContact O-N 2.94Å |
| 17 | V | 92.6 | Very high | 73.7 | Confident | 63 Ų | 63 | 100.3 Ų | 100.3 | 38% | 0.382 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 131.6 | 177.9 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | I385 L386 | V17-I385 WeakPolarHBondContact CA-O 3.46Å; V17-L386 HydrophobicContact CB-CD2 4.25Å; V17-L386 HydrophobicContact CG1-CD2 3.76Å; V17-L386 HydrophobicContact CG2-CD2 3.65Å |
| 18 | Y | 95.6 | Very high | 76.2 | Confident | 23 Ų | 23 | 95.7 Ų | 95.7 | 9% | 0.09 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 144.5 | 168.3 | -60.8 | -91.5 | 0 | 0 | 0 | 109.2 | K15 L74 W374 E384 I385 | K15-Y18 HydrophobicContact CB-CE1 4.01Å; K15-Y18 HydrophobicContact CB-CE2 4.2Å; K15-Y18 HydrophobicContact CD-CD1 4.25Å; K15-Y18 HydrophobicContact CD-CE1 3.97Å; K15-Y18 HydrophobicContact CG-CE1 4.46Å; Y18-L74 HydrophobicContact CD1-CD1 3.59Å; Y18-L74 HydrophobicContact CD1-CD2 4.02Å; Y18-L74 HydrophobicContact CD1-CG 4.43Å; Y18-L74 HydrophobicContact CD2-CD2 3.89Å; Y18-L74 HydrophobicContact CE1-CD1 4.13Å; Y18-L74 HydrophobicContact CE1-CD2 4.07Å; Y18-L74 HydrophobicContact CE2-CD2 3.96Å; Y18-L74 HydrophobicContact CG-CD1 3.88Å; Y18-L74 HydrophobicContact CG-CD2 3.91Å; Y18-W374 AromaticContact CD2-CH2 3.78Å; Y18-W374 HydrophobicContact CD2-CH2 3.78Å; Y18-W374 AromaticContact CD2-CZ3 3.86Å; Y18-W374 HydrophobicContact CD2-CZ3 3.86Å; Y18-W374 AromaticContact CE2-CH2 3.56Å; Y18-W374 HydrophobicContact CE2-CH2 3.56Å; Y18-W374 HydrophobicContact CE2-CZ2 4.32Å; Y18-W374 HydrophobicContact CE2-CZ3 4.14Å; Y18-E384 CarbonylContact O-C 3.54Å; Y18-E384 WeakPolarHBondContact O-CA 2.99Å; Y18-I385 HydrophobicContact CD2-CD1 3.97Å; Y18-I385 HydrophobicContact CD2-CG1 4.11Å; Y18-I385 HydrophobicContact CG-CD1 4.43Å; Y18-I385 HydrophobicContact CG-CG1 4.38Å; Y18-I385 PolarHBondContact N-O 3.43Å; Y18-I385 PolarHBondContact O-N 2.97Å |
| 19 | R | 95.6 | Very high | 79 | Confident | 115 Ų | 115 | 87.5 Ų | 87.5 | 43% | 0.434 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 142.6 | -175.6 | -176 | 171.5 | 175.2 | 171.4 | -9.6 | 111.2 | E21 S382 L383 E384 | R19-E21 IonicContact CZ-OE1 3.69Å; R19-E21 IonicContact NE-OE1 3.39Å; R19-E21 IonicContact NH2-OE1 3.66Å; R19-E21 PolarHBondContact NH2-OE1 3.33Å; R19-S382 PolarHBondContact NE-OG 3.18Å; R19-S382 PolarHBondContact NH2-OG 3.35Å; R19-L383 CarbonylContact C-O 3.53Å; R19-L383 WeakPolarHBondContact CA-O 3.3Å; R19-E384 HydrophobicContact CB-CG 4.12Å; R19-E384 HydrophobicContact CG-CG 3.91Å; R19-E384 IonicContact NE-OE1 2.8Å; R19-E384 IonicContact NH1-OE1 3.2Å |
| 20 | Y | 96.7 | Very high | 81.9 | Confident | 25 Ų | 25 | 82.5 Ų | 82.5 | 10% | 0.098 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.8 | 168 | 173.1 | -107.7 | 0 | 0 | 0 | 108.9 | V43 Q70 I72 F81 S382 L383 | Y20-V43 HydrophobicContact CE1-CG2 4.35Å; Y20-Q70 PolarHBondContact OH-OE1 3.08Å; Y20-I72 HydrophobicContact CD1-CD1 3.67Å; Y20-I72 HydrophobicContact CD1-CG2 4.34Å; Y20-I72 HydrophobicContact CD2-CD1 4.3Å; Y20-I72 HydrophobicContact CD2-CG2 4.33Å; Y20-I72 HydrophobicContact CE1-CD1 4.3Å; Y20-I72 HydrophobicContact CE1-CG2 3.95Å; Y20-I72 HydrophobicContact CE2-CG2 3.96Å; Y20-I72 HydrophobicContact CG-CD1 3.67Å; Y20-F81 HydrophobicContact CD2-CB 3.66Å; Y20-F81 HydrophobicContact CG-CB 4.07Å; Y20-S382 WeakPolarHBondContact O-CA 3.25Å; Y20-L383 HydrophobicContact CD1-CB 4.41Å; Y20-L383 PolarHBondContact N-O 3.31Å; Y20-L383 PolarHBondContact O-N 3.3Å |
| 21 | E | 95.4 | Very high | 84.7 | Confident | 124 Ų | 124 | 74.9 Ų | 74.9 | 58% | 0.579 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 121.2 | 173.1 | -67.8 | -171 | 171.9 | 0 | 0 | 109.7 | R19 | R19-E21 IonicContact CZ-OE1 3.69Å; R19-E21 IonicContact NE-OE1 3.39Å; R19-E21 IonicContact NH2-OE1 3.66Å; R19-E21 PolarHBondContact NH2-OE1 3.33Å |
| 22 | S | 92.1 | Very high | 87.2 | Confident | 3 Ų | 3 | 70.5 Ų | 70.5 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | trans | -93.1 | 149.6 | -178.9 | -153.6 | 0 | 0 | 0 | 0 | 109.4 | W24 L26 N381 | S22-W24 WeakPolarHBondContact CB-O 3.23Å; S22-W24 PolarHBondContact O-N 3.02Å; S22-W24 PolarHBondContact OG-NE1 3.48Å; S22-L26 WeakPolarHBondContact OG-CD2 3.28Å; S22-N381 VanDerWaalsContact CB-O 3.28Å; S22-N381 WeakPolarHBondContact CB-O 2.97Å; S22-N381 PolarHBondContact N-O 3.44Å; S22-N381 WeakPolarHBondContact O-CB 3.29Å; S22-N381 PolarHBondContact O-ND2 2.86Å | ||
| 23 | P | 89.2 | Confident | 89.4 | Confident | 97 Ų | 97 | 61.9 Ų | 61.9 | 63% | 0.63 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -68.8 | 10 | 177.3 | 26.6 | -34.2 | 0 | 0 | 0 | 115.1 | ||
| 24 | W | 89.9 | Confident | 91.1 | Very high | 30 Ų | 30 | 55.2 Ų | 55.2 | 11% | 0.114 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -169.1 | 160.4 | -163.4 | 41.4 | -3.6 | 0 | 0 | 0 | 110.3 | S22 S45 I47 A66 R68 N381 | S22-W24 WeakPolarHBondContact CB-O 3.23Å; S22-W24 PolarHBondContact O-N 3.02Å; S22-W24 PolarHBondContact OG-NE1 3.48Å; W24-S45 VanDerWaalsContact CZ3-OG 3.27Å; W24-S45 WeakPolarHBondContact CZ3-OG 3.14Å; W24-I47 HydrophobicContact CE3-CD1 3.39Å; W24-I47 HydrophobicContact CE3-CG1 3.68Å; W24-I47 HydrophobicContact CZ3-CD1 3.49Å; W24-I47 VanDerWaalsContact CZ3-CD1 3.49Å; W24-I47 HydrophobicContact CZ3-CG1 4.12Å; W24-A66 WeakPolarHBondContact CH2-O 3.3Å; W24-A66 WeakPolarHBondContact CZ3-O 3.36Å; W24-R68 HydrophobicContact CH2-CB 3.13Å; W24-R68 VanDerWaalsContact CH2-CD 3.45Å; W24-R68 HydrophobicContact CH2-CG 3.4Å; W24-R68 HydrophobicContact CZ2-CB 3.54Å; W24-R68 HydrophobicContact CZ2-CG 4.08Å; W24-R68 HydrophobicContact CZ3-CB 4.24Å; W24-R68 HydrophobicContact CZ3-CG 4.38Å; W24-R68 VanDerWaalsContact CZ3-N 3.32Å; W24-N381 VanDerWaalsContact O-CA 3.28Å; W24-N381 WeakPolarHBondContact O-CA 3.42Å; W24-N381 VanDerWaalsContact O-CB 3.24Å; W24-N381 WeakPolarHBondContact O-CB 3.49Å |
| 25 | N | 90.8 | Very high | 92.4 | Very high | 80 Ų | 80 | 49.9 Ų | 49.9 | 43% | 0.428 | 24% | 0.243 | S | C | . | . | trans | -63.8 | 143.1 | 176.5 | -68.7 | -16.9 | 0 | 0 | 0 | 111 | S45 F46 N380 | N25-S45 CarbonylContact O-C 3.52Å; N25-S45 WeakPolarHBondContact O-CA 3.09Å; N25-F46 HydrophobicContact CB-CB 4.32Å; N25-F46 PolarHBondContact O-N 3.18Å; N25-N380 CarbonylContact C-O 3.57Å; N25-N380 VanDerWaalsContact CA-O 3.23Å; N25-N380 WeakPolarHBondContact CA-O 3.25Å | ||
| 26 | L | 91.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 139 | 179 | -64.8 | -178.1 | 0 | 0 | 0 | 109.4 | S22 V43 N363 C378 N380 L383 | S22-L26 WeakPolarHBondContact OG-CD2 3.28Å; L26-V43 HydrophobicContact CD2-CB 3.99Å; L26-V43 HydrophobicContact CD2-CG2 4.12Å; L26-N363 PolarHBondContact O-ND2 2.97Å; L26-C378 HydrophobicContact CB-CB 4.13Å; L26-C378 HydrophobicContact CD1-CB 4.39Å; L26-N380 PolarHBondContact N-O 3.47Å; L26-L383 HydrophobicContact CD1-CB 3.91Å |
| 27 | Y | 91.1 | Very high | 93.5 | Very high | 57 Ų | 57 | 44.8 Ų | 44.8 | 22% | 0.224 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | -65.7 | 174.1 | 176.3 | -97 | 0 | 0 | 0 | 111.3 | G44 F46 A93 Q364 C378 | Y27-G44 PolarHBondContact N-O 3.16Å; Y27-F46 HydrophobicContact CD2-CD2 4.33Å; Y27-F46 HydrophobicContact CG-CD2 4.16Å; Y27-A93 WeakPolarHBondContact CD1-O 3.22Å; Y27-Q364 WeakPolarHBondContact O-CG 3.28Å; Y27-C378 PolarHBondContact O-SG 3.42Å |
| 28 | A | 93.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 46 Ų | 46 | 2% | 0.017 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 147.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G44 A93 L96 | A28-G44 PolarHBondContact O-N 3.35Å; A28-A93 HydrophobicContact CB-CB 4.45Å; A28-A93 WeakPolarHBondContact CB-O 3.08Å; A28-L96 HydrophobicContact CB-CB 4.49Å; A28-L96 HydrophobicContact CB-CD1 4.05Å; A28-L96 HydrophobicContact CB-CG 3.75Å |
| 29 | M | 96.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 158.9 | 171.7 | 67 | 179.5 | -176.9 | 0 | 0 | 111.6 | I41 A42 V43 Q364 H366 A376 C378 L383 | M29-I41 HydrophobicContact CB-CG2 4.44Å; M29-A42 CarbonylContact C-O 3.53Å; M29-A42 WeakPolarHBondContact CA-O 3.44Å; M29-V43 HydrophobicContact CB-CG1 4.25Å; M29-Q364 VanDerWaalsContact CE-C 3.44Å; M29-Q364 HydrophobicContact CE-CB 3.74Å; M29-Q364 WeakPolarHBondContact CE-O 3.47Å; M29-Q364 HydrophobicContact CG-CB 4.07Å; M29-Q364 HydrophobicContact SD-CB 4.44Å; M29-H366 HydrophobicContact CE-CB 4.11Å; M29-H366 PolarHBondContact O-CD2 3.45Å; M29-H366 PolarHBondContact O-NE2 2.72Å; M29-H366 VanDerWaalsContact O-NE2 3.13Å; M29-A376 HydrophobicContact CE-CB 3.97Å; M29-A376 WeakPolarHBondContact CE-O 3.5Å; M29-A376 HydrophobicContact SD-CB 4.05Å; M29-C378 HydrophobicContact SD-CB 3.79Å; M29-L383 HydrophobicContact SD-CD1 3.32Å; M29-L383 WeakPolarHBondContact SD-CD1 3.36Å |
| 30 | N | 97.6 | Very high | 93.7 | Very high | 20 Ų | 20 | 40 Ų | 40 | 11% | 0.107 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 140.4 | 170.2 | -162.8 | -113.6 | 0 | 0 | 0 | 113 | I41 A42 L96 M97 W98 | N30-I41 WeakPolarHBondContact O-CA 3.5Å; N30-A42 PolarHBondContact N-O 2.93Å; N30-A42 PolarHBondContact O-N 2.87Å; N30-L96 HydrophobicContact CB-CB 4.25Å; N30-L96 VanDerWaalsContact CB-O 3.24Å; N30-L96 WeakPolarHBondContact CB-O 3.47Å; N30-M97 WeakPolarHBondContact OD1-CA 3.26Å; N30-W98 PolarHBondContact O-NE1 3.19Å; N30-W98 PolarHBondContact OD1-N 3.24Å |
| 31 | W | 97.3 | Very high | 93.7 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 134.3 | 173.1 | -70 | 97.4 | 0 | 0 | 0 | 111.4 | F39 I41 W98 H366 A368 W374 A376 I385 | W31-F39 HydrophobicContact CH2-CD1 4.22Å; W31-F39 AromaticContact CZ3-CD1 3.97Å; W31-F39 HydrophobicContact CZ3-CD1 3.97Å; W31-I41 HydrophobicContact CD2-CD1 4.01Å; W31-I41 HydrophobicContact CD2-CG1 3.82Å; W31-I41 HydrophobicContact CE3-CD1 3.76Å; W31-I41 HydrophobicContact CE3-CG1 3.45Å; W31-I41 VanDerWaalsContact CE3-CG1 3.45Å; W31-I41 HydrophobicContact CG-CG1 4.5Å; W31-I41 HydrophobicContact CH2-CD1 3.71Å; W31-I41 HydrophobicContact CH2-CG1 4.35Å; W31-I41 HydrophobicContact CZ2-CD1 3.93Å; W31-I41 HydrophobicContact CZ3-CD1 3.59Å; W31-I41 HydrophobicContact CZ3-CG1 3.74Å; W31-W98 VanDerWaalsContact O-CD1 3.27Å; W31-H366 PolarHBondContact NE1-O 2.72Å; W31-A368 HydrophobicContact CD2-CB 3.66Å; W31-A368 HydrophobicContact CE3-CB 4.05Å; W31-A368 HydrophobicContact CG-CB 3.97Å; W31-A368 HydrophobicContact CH2-CB 4.32Å; W31-A368 HydrophobicContact CZ2-CB 3.98Å; W31-A368 HydrophobicContact CZ3-CB 4.37Å; W31-W374 HydrophobicContact CH2-CB 4.35Å; W31-W374 HydrophobicContact CZ2-CB 4.41Å; W31-A376 HydrophobicContact CZ2-CB 3.57Å; W31-A376 VanDerWaalsContact NE1-CB 3.28Å; W31-I385 HydrophobicContact CH2-CB 3.96Å; W31-I385 HydrophobicContact CH2-CD1 4.09Å; W31-I385 HydrophobicContact CH2-CG2 3.43Å; W31-I385 VanDerWaalsContact CH2-CG2 3.43Å; W31-I385 HydrophobicContact CZ2-CB 4.14Å; W31-I385 HydrophobicContact CZ2-CG2 3.55Å; W31-I385 HydrophobicContact CZ3-CG2 4.47Å |
| 32 | S | 96.6 | Very high | 93.9 | Very high | 11 Ų | 11 | 32.9 Ų | 32.9 | 8% | 0.077 | 17% | 0.17 | C | C | . | . | trans | -66.5 | 134.2 | 162.3 | 171.9 | 0 | 0 | 0 | 0 | 109.7 | R34 R40 | S32-R34 PolarHBondContact OG-N 3.3Å; S32-R40 VanDerWaalsContact CB-NE 3.34Å; S32-R40 VanDerWaalsContact CB-O 3.32Å; S32-R40 WeakPolarHBondContact CB-O 3.48Å; S32-R40 PolarHBondContact N-O 2.71Å; S32-R40 PolarHBondContact OG-NE 2.73Å; S32-R40 VanDerWaalsContact OG-NE 3.15Å; S32-R40 PolarHBondContact OG-NH2 3.36Å | ||
| 33 | I | 94.2 | Very high | 94.1 | Very high | 9 Ų | 9 | 32.9 Ų | 32.9 | 5% | 0.046 | 17% | 0.169 | C | C | . | . | trans | -106.7 | 15.9 | 174.2 | 76 | 167.3 | 0 | 0 | 0 | 112.6 | P100 V102 Q369 N370 | I33-P100 VanDerWaalsContact CD1-C 3.5Å; I33-P100 HydrophobicContact CD1-CB 3.91Å; I33-V102 HydrophobicContact CD1-CG1 3.61Å; I33-V102 HydrophobicContact CG1-CG1 4.46Å; I33-Q369 HydrophobicContact CG2-CB 3.84Å; I33-Q369 HydrophobicContact CG2-CG 4.15Å; I33-N370 VanDerWaalsContact C-ND2 3.27Å; I33-N370 PolarHBondContact O-ND2 3.33Å | ||
| 34 | R | 92.3 | Very high | 94.4 | Very high | 53 Ų | 53 | 28.3 Ų | 28.3 | 20% | 0.2 | 14% | 0.14 | C | C | . | . | trans | -75.2 | 127.4 | 176.4 | -150.4 | -168.5 | 161.8 | 83.6 | 7.3 | 109.8 | S32 D36 Q37 G104 C106 | S32-R34 PolarHBondContact OG-N 3.3Å; R34-D36 VanDerWaalsContact C-N 3.3Å; R34-D36 WeakPolarHBondContact CD-OD1 3.45Å; R34-D36 WeakPolarHBondContact CG-OD1 3.43Å; R34-D36 IonicContact CZ-OD1 3.71Å; R34-D36 IonicContact NE-OD1 2.68Å; R34-D36 PolarHBondContact NE-OD1 2.92Å; R34-D36 IonicContact NE-OD2 2.86Å; R34-D36 PolarHBondContact NE-OD2 2.76Å; R34-D36 PolarHBondContact O-N 3.19Å; R34-Q37 HydrophobicContact CB-CB 4.09Å; R34-Q37 HydrophobicContact CB-CG 4.14Å; R34-Q37 HydrophobicContact CG-CG 4.45Å; R34-Q37 PolarHBondContact O-N 3.39Å; R34-Q37 VanDerWaalsContact O-N 3.08Å; R34-G104 PolarHBondContact NH2-O 2.79Å; R34-C106 PolarHBondContact NH1-O 3.32Å | ||
| 35 | P | 90.6 | Very high | 94.5 | Very high | 76 Ų | 76 | 27 Ų | 27 | 49% | 0.494 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -31.4 | -173.6 | -28.3 | 36.5 | 0 | 0 | 0 | 115.7 | Q37 V102 | P35-Q37 VanDerWaalsContact C-N 3.29Å; P35-V102 WeakPolarHBondContact CG-O 3.26Å |
| 36 | D | 91.3 | Very high | 94.4 | Very high | 93 Ų | 93 | 26.7 Ų | 26.7 | 50% | 0.497 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -4.4 | 178.9 | 59.3 | -55.8 | 0 | 0 | 0 | 113.4 | R34 | R34-D36 VanDerWaalsContact C-N 3.3Å; R34-D36 WeakPolarHBondContact CD-OD1 3.45Å; R34-D36 WeakPolarHBondContact CG-OD1 3.43Å; R34-D36 IonicContact CZ-OD1 3.71Å; R34-D36 IonicContact NE-OD1 2.68Å; R34-D36 PolarHBondContact NE-OD1 2.92Å; R34-D36 IonicContact NE-OD2 2.86Å; R34-D36 PolarHBondContact NE-OD2 2.76Å; R34-D36 PolarHBondContact O-N 3.19Å |
| 37 | Q | 93.2 | Very high | 93.8 | Very high | 47 Ų | 47 | 27.9 Ų | 27.9 | 22% | 0.22 | 14% | 0.136 | C | C | . | . | trans | -122.8 | 66 | -171.9 | -57.8 | -68.1 | -25.5 | 0 | 0 | 110.8 | R34 P35 R40 | R34-Q37 HydrophobicContact CB-CB 4.09Å; R34-Q37 HydrophobicContact CB-CG 4.14Å; R34-Q37 HydrophobicContact CG-CG 4.45Å; R34-Q37 PolarHBondContact O-N 3.39Å; R34-Q37 VanDerWaalsContact O-N 3.08Å; P35-Q37 VanDerWaalsContact C-N 3.29Å; Q37-R40 HydrophobicContact CB-CB 4.19Å; Q37-R40 VanDerWaalsContact CB-CZ 3.49Å; Q37-R40 VanDerWaalsContact CG-CZ 3.43Å; Q37-R40 VanDerWaalsContact CG-NH1 3.32Å | ||
| 38 | K | 94.1 | Very high | 92.6 | Very high | 88 Ų | 88 | 32.8 Ų | 32.8 | 38% | 0.383 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 139.9 | 179.6 | -163.3 | -174.5 | 174.2 | -156.1 | 0 | 110.8 | R40 Q73 E76 | K38-R40 PolarHBondContact O-N 2.85Å; K38-R40 VanDerWaalsContact O-N 3.11Å; K38-Q73 PolarHBondContact O-NE2 3.29Å; K38-E76 WeakPolarHBondContact CD-OE2 3.09Å; K38-E76 IonicContact NZ-OE1 2.73Å; K38-E76 PolarHBondContact NZ-OE1 2.83Å; K38-E76 IonicContact NZ-OE2 3.36Å; K38-E76 PolarHBondContact NZ-OE2 2.91Å |
| 39 | F | 95.8 | Very high | 90.9 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 4% | 0.035 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 25.9 | -179.6 | -60.6 | -67.2 | 0 | 0 | 0 | 116.3 | W31 L74 E76 Q371 W374 I385 | W31-F39 HydrophobicContact CH2-CD1 4.22Å; W31-F39 AromaticContact CZ3-CD1 3.97Å; W31-F39 HydrophobicContact CZ3-CD1 3.97Å; F39-L74 HydrophobicContact CB-CB 3.53Å; F39-L74 HydrophobicContact CB-CD2 4.38Å; F39-L74 HydrophobicContact CD1-CD2 4.4Å; F39-L74 HydrophobicContact CD2-CB 4.37Å; F39-L74 HydrophobicContact CD2-CD2 3.95Å; F39-L74 HydrophobicContact CE2-CD2 4.25Å; F39-L74 HydrophobicContact CG-CB 4.09Å; F39-L74 HydrophobicContact CG-CD2 4.03Å; F39-L74 PolarHBondContact O-N 2.93Å; F39-E76 HydrophobicContact CD2-CG 4Å; F39-E76 HydrophobicContact CE2-CG 4.01Å; F39-E76 WeakPolarHBondContact CE2-OE1 3.38Å; F39-Q371 VanDerWaalsContact CE1-OE1 3.23Å; F39-W374 AromaticContact CE1-CD1 3.87Å; F39-W374 AromaticContact CE1-CD2 3.89Å; F39-W374 HydrophobicContact CE1-CD2 3.89Å; F39-W374 AromaticContact CE1-CE2 3.78Å; F39-W374 AromaticContact CE1-CG 3.95Å; F39-W374 HydrophobicContact CE1-CG 3.95Å; F39-W374 HydrophobicContact CE1-CZ2 4.4Å; F39-W374 AromaticContact CE1-NE1 3.74Å; F39-W374 HydrophobicContact CZ-CD2 4.49Å; F39-W374 AromaticContact CZ-CE2 3.91Å; F39-W374 HydrophobicContact CZ-CZ2 4.26Å; F39-W374 AromaticContact CZ-NE1 3.75Å; F39-I385 HydrophobicContact CD1-CD1 3.79Å; F39-I385 HydrophobicContact CE1-CD1 4.03Å |
| 40 | R | 97.6 | Very high | 88.6 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 131.3 | 175.2 | -174.9 | 177.9 | 69.3 | 172.5 | 7.6 | 110.8 | S32 Q37 K38 I71 I72 Q73 W98 D108 | S32-R40 VanDerWaalsContact CB-NE 3.34Å; S32-R40 VanDerWaalsContact CB-O 3.32Å; S32-R40 WeakPolarHBondContact CB-O 3.48Å; S32-R40 PolarHBondContact N-O 2.71Å; S32-R40 PolarHBondContact OG-NE 2.73Å; S32-R40 VanDerWaalsContact OG-NE 3.15Å; S32-R40 PolarHBondContact OG-NH2 3.36Å; Q37-R40 HydrophobicContact CB-CB 4.19Å; Q37-R40 VanDerWaalsContact CB-CZ 3.49Å; Q37-R40 VanDerWaalsContact CG-CZ 3.43Å; Q37-R40 VanDerWaalsContact CG-NH1 3.32Å; K38-R40 PolarHBondContact O-N 2.85Å; K38-R40 VanDerWaalsContact O-N 3.11Å; R40-I71 HydrophobicContact CG-CG2 3.75Å; R40-I72 CarbonylContact C-O 3.58Å; R40-I72 WeakPolarHBondContact CA-O 3.44Å; R40-Q73 HydrophobicContact CB-CG 4.31Å; R40-W98 HydrophobicContact CG-CZ2 4.4Å; R40-D108 IonicContact CZ-OD1 2.88Å; R40-D108 IonicContact CZ-OD2 3.67Å; R40-D108 IonicContact NH1-OD1 3.34Å; R40-D108 IonicContact NH1-OD2 2.79Å; R40-D108 PolarHBondContact NH1-OD2 3.39Å; R40-D108 VanDerWaalsContact NH2-CG 3.25Å; R40-D108 IonicContact NH2-OD1 3.84Å; R40-D108 PolarHBondContact NH2-OD1 3.15Å; R40-D108 IonicContact NH2-OD2 3.86Å; R40-D108 PolarHBondContact NH2-OD2 3.35Å |
| 41 | I | 98.1 | Very high | 86 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 136.5 | -177.4 | -59.3 | 171.5 | 0 | 0 | 0 | 108.4 | M29 N30 W31 V43 I72 F81 A376 L383 I385 | M29-I41 HydrophobicContact CB-CG2 4.44Å; N30-I41 WeakPolarHBondContact O-CA 3.5Å; W31-I41 HydrophobicContact CD2-CD1 4.01Å; W31-I41 HydrophobicContact CD2-CG1 3.82Å; W31-I41 HydrophobicContact CE3-CD1 3.76Å; W31-I41 HydrophobicContact CE3-CG1 3.45Å; W31-I41 VanDerWaalsContact CE3-CG1 3.45Å; W31-I41 HydrophobicContact CG-CG1 4.5Å; W31-I41 HydrophobicContact CH2-CD1 3.71Å; W31-I41 HydrophobicContact CH2-CG1 4.35Å; W31-I41 HydrophobicContact CZ2-CD1 3.93Å; W31-I41 HydrophobicContact CZ3-CD1 3.59Å; W31-I41 HydrophobicContact CZ3-CG1 3.74Å; I41-V43 HydrophobicContact CG2-CG1 3.89Å; I41-I72 HydrophobicContact CB-CD1 4.47Å; I41-I72 HydrophobicContact CB-CG1 4.03Å; I41-I72 PolarHBondContact N-O 3.11Å; I41-I72 WeakPolarHBondContact O-CG1 3.42Å; I41-I72 PolarHBondContact O-N 2.8Å; I41-F81 HydrophobicContact CD1-CE1 4.25Å; I41-F81 HydrophobicContact CD1-CZ 4.33Å; I41-A376 HydrophobicContact CD1-CB 4.43Å; I41-L383 HydrophobicContact CD1-CD2 3.79Å; I41-L383 HydrophobicContact CG2-CD2 4.25Å; I41-I385 HydrophobicContact CD1-CG2 3.7Å |
| 42 | A | 98.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 132.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | M29 N30 V69 Q70 I71 L96 W98 L110 | M29-A42 CarbonylContact C-O 3.53Å; M29-A42 WeakPolarHBondContact CA-O 3.44Å; N30-A42 PolarHBondContact N-O 2.93Å; N30-A42 PolarHBondContact O-N 2.87Å; A42-V69 HydrophobicContact CB-CG1 4.48Å; A42-Q70 CarbonylContact C-O 3.59Å; A42-Q70 WeakPolarHBondContact CA-O 3.28Å; A42-I71 HydrophobicContact CB-CD1 3.73Å; A42-L96 HydrophobicContact CB-CD1 4.21Å; A42-W98 HydrophobicContact CB-CZ2 4Å; A42-L110 HydrophobicContact CB-CD1 3.84Å; A42-L110 HydrophobicContact CB-CD2 3.89Å |
| 43 | V | 97.4 | Very high | 80.3 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 138 | 175.7 | -62.8 | 0 | 0 | 0 | 0 | 109.9 | Y20 L26 M29 I41 V69 Q70 I72 L383 | Y20-V43 HydrophobicContact CE1-CG2 4.35Å; L26-V43 HydrophobicContact CD2-CB 3.99Å; L26-V43 HydrophobicContact CD2-CG2 4.12Å; M29-V43 HydrophobicContact CB-CG1 4.25Å; I41-V43 HydrophobicContact CG2-CG1 3.89Å; V43-V69 CarbonylContact O-C 3.57Å; V43-V69 VanDerWaalsContact O-CA 3.3Å; V43-V69 WeakPolarHBondContact O-CA 3.4Å; V43-Q70 HydrophobicContact CG2-CB 3.94Å; V43-Q70 PolarHBondContact N-O 2.95Å; V43-Q70 PolarHBondContact O-N 2.77Å; V43-I72 HydrophobicContact CG1-CD1 4.27Å; V43-I72 HydrophobicContact CG2-CG2 4.47Å; V43-L383 HydrophobicContact CG1-CD1 4.34Å; V43-L383 HydrophobicContact CG1-CD2 4.13Å |
| 44 | G | 95.5 | Very high | 77.7 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y27 A28 | Y27-G44 PolarHBondContact N-O 3.16Å; A28-G44 PolarHBondContact O-N 3.35Å |
| 45 | S | 92.4 | Very high | 75 | Confident | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 154.9 | 177.5 | 63.5 | 0 | 0 | 0 | 0 | 113.8 | W24 N25 A67 R68 | W24-S45 VanDerWaalsContact CZ3-OG 3.27Å; W24-S45 WeakPolarHBondContact CZ3-OG 3.14Å; N25-S45 CarbonylContact O-C 3.52Å; N25-S45 WeakPolarHBondContact O-CA 3.09Å; S45-A67 VanDerWaalsContact OG-CA 3.27Å; S45-A67 WeakPolarHBondContact OG-CA 3.27Å; S45-A67 WeakPolarHBondContact OG-CB 3.46Å; S45-R68 PolarHBondContact N-O 3Å; S45-R68 PolarHBondContact OG-N 3.2Å; S45-R68 PolarHBondContact OG-O 2.95Å; S45-R68 VanDerWaalsContact OG-O 3.14Å |
| 46 | F | 87.7 | Confident | 72.5 | Confident | 73 Ų | 73 | 65.7 Ų | 65.7 | 32% | 0.32 | 34% | 0.338 | S | S | . | . | trans | -121.3 | 98.2 | 165.3 | -168.7 | -104.7 | 0 | 0 | 0 | 109.7 | N25 Y27 E48 P92 | N25-F46 HydrophobicContact CB-CB 4.32Å; N25-F46 PolarHBondContact O-N 3.18Å; Y27-F46 HydrophobicContact CD2-CD2 4.33Å; Y27-F46 HydrophobicContact CG-CD2 4.16Å; F46-E48 HydrophobicContact CD1-CG 4.09Å; F46-E48 HydrophobicContact CE1-CG 3.38Å; F46-E48 VanDerWaalsContact CE1-OE1 3.23Å; F46-E48 WeakPolarHBondContact CE1-OE1 3.17Å; F46-E48 HydrophobicContact CZ-CG 3.78Å; F46-P92 HydrophobicContact CD2-CB 3.89Å; F46-P92 HydrophobicContact CD2-CG 4.21Å; F46-P92 HydrophobicContact CE2-CB 4.48Å | ||
| 47 | I | 79.8 | Confident | 69.7 | Low | 26 Ų | 26 | 73.3 Ų | 73.3 | 13% | 0.133 | 36% | 0.36 | C | S | . | . | trans | -114.7 | 117.8 | 172.1 | -56.7 | -178.9 | 0 | 0 | 0 | 106.6 | W24 E49 T65 | W24-I47 HydrophobicContact CE3-CD1 3.39Å; W24-I47 HydrophobicContact CE3-CG1 3.68Å; W24-I47 HydrophobicContact CZ3-CD1 3.49Å; W24-I47 VanDerWaalsContact CZ3-CD1 3.49Å; W24-I47 HydrophobicContact CZ3-CG1 4.12Å; I47-E49 HydrophobicContact CG2-CB 3.92Å; I47-E49 HydrophobicContact CG2-CG 4.04Å; I47-E49 PolarHBondContact O-N 2.96Å; I47-T65 HydrophobicContact CD1-CG2 4.38Å; I47-T65 WeakPolarHBondContact CD1-O 3.2Å; I47-T65 HydrophobicContact CG2-CG2 4.49Å | ||
| 48 | E | 65.9 | Low | 66.9 | Low | 160 Ų | 160 | 77.7 Ų | 77.7 | 75% | 0.748 | 38% | 0.384 | S | S | * | . | trans | -79.6 | -2 | -178.5 | -64.1 | -173.7 | 157.7 | 0 | 0 | 113.7 | F46 Y50 | F46-E48 HydrophobicContact CD1-CG 4.09Å; F46-E48 HydrophobicContact CE1-CG 3.38Å; F46-E48 VanDerWaalsContact CE1-OE1 3.23Å; F46-E48 WeakPolarHBondContact CE1-OE1 3.17Å; F46-E48 HydrophobicContact CZ-CG 3.78Å; E48-Y50 PolarHBondContact O-N 2.97Å | ||
| 49 | E | 57.8 | Low | 64.5 | Low | 84 Ų | 84 | 82.3 Ų | 82.3 | 39% | 0.393 | 40% | 0.404 | S | S | . | . | trans | -70.3 | 116.1 | -174.9 | -66.3 | -175.2 | 160.5 | 0 | 0 | 111.7 | I47 S51 V54 T65 | I47-E49 HydrophobicContact CG2-CB 3.92Å; I47-E49 HydrophobicContact CG2-CG 4.04Å; I47-E49 PolarHBondContact O-N 2.96Å; E49-S51 CarbonylContact O-C 3.55Å; E49-S51 PolarHBondContact O-N 3.28Å; E49-V54 VanDerWaalsContact CD-CG2 3.47Å; E49-V54 WeakPolarHBondContact OE2-CB 3.02Å; E49-V54 WeakPolarHBondContact OE2-CG2 3.39Å; E49-T65 VanDerWaalsContact OE2-CG2 3.32Å; E49-T65 WeakPolarHBondContact OE2-CG2 3.49Å | ||
| 50 | Y | 48.2 | Very low | 61.8 | Low | 249 Ų | 249 | 90.7 Ų | 90.7 | 98% | 0.976 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -60.7 | -11.3 | -177.5 | -138.2 | -94.5 | 0 | 0 | 0 | 114.4 | E48 | E48-Y50 PolarHBondContact O-N 2.97Š|
| 51 | S | 41.3 | Very low | 59.1 | Low | 64 Ų | 64 | 98 Ų | 98 | 45% | 0.448 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -121.2 | 113.2 | 169.7 | 56.9 | 0 | 0 | 0 | 0 | 108.1 | E49 K53 | E49-S51 CarbonylContact O-C 3.55Å; E49-S51 PolarHBondContact O-N 3.28Å; S51-K53 PolarHBondContact O-N 3.34Å |
| 52 | N | 38.3 | Very low | 56.3 | Low | 60 Ų | 60 | 107.9 Ų | 107.9 | 32% | 0.321 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -59.8 | 29.1 | 168.7 | -84.7 | -34 | 0 | 0 | 0 | 114.2 | A67 P90 | N52-A67 PolarHBondContact OD1-N 2.78Å; N52-P90 PolarHBondContact ND2-O 2.85Å |
| 53 | K | 36.6 | Very low | 53.9 | Low | 179 Ų | 179 | 113.9 Ų | 113.9 | 78% | 0.778 | 56% | 0.559 | S | S | * | * | trans | -151.4 | 94.5 | 174 | -70.4 | -169.7 | 178.2 | -179.5 | 0 | 108.4 | S51 | S51-K53 PolarHBondContact O-N 3.34Š| ||
| 54 | V | 39.6 | Very low | 51.7 | Low | 56 Ų | 56 | 117.9 Ų | 117.9 | 34% | 0.339 | 58% | 0.58 | S | S | . | * | trans | -99.8 | 98.7 | 156.5 | 172 | 0 | 0 | 0 | 0 | 108.1 | E49 G56 T65 | E49-V54 VanDerWaalsContact CD-CG2 3.47Å; E49-V54 WeakPolarHBondContact OE2-CB 3.02Å; E49-V54 WeakPolarHBondContact OE2-CG2 3.39Å; V54-G56 PolarHBondContact O-N 3.45Å; V54-T65 PolarHBondContact N-OG1 3.08Å; V54-T65 PolarHBondContact O-OG1 3.17Å | ||
| 55 | S | 36.5 | Very low | 49.8 | Very low | 128 Ų | 128 | 119.3 Ų | 119.3 | 90% | 0.895 | 59% | 0.588 | S | S | * | * | trans | -76.5 | 76.2 | 162.7 | -143.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 56 | G | 38.3 | Very low | 48.5 | Very low | 53 Ų | 53 | 119.8 Ų | 119.8 | 55% | 0.546 | 59% | 0.592 | S | S | . | * | trans | -113.2 | 103.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V54 L58 | V54-G56 PolarHBondContact O-N 3.45Å; G56-L58 PolarHBondContact O-N 3.17Å | ||
| 57 | R | 31.6 | Very low | 47.8 | Very low | 254 Ų | 254 | 116.3 Ų | 116.3 | 96% | 0.958 | 58% | 0.577 | S | S | * | * | trans | -69.6 | 110 | 174.4 | -82.3 | -176.6 | 178.1 | -179.2 | -1 | 110.6 | ||||
| 58 | L | 35.4 | Very low | 48.2 | Very low | 138 Ų | 138 | 117.3 Ų | 117.3 | 72% | 0.723 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -131.8 | 109.3 | 150.4 | -83.6 | 163.9 | 0 | 0 | 0 | 106.8 | G56 | G56-L58 PolarHBondContact O-N 3.17Š|
| 59 | F | 43.2 | Very low | 49.5 | Very low | 186 Ų | 186 | 109.8 Ų | 109.8 | 82% | 0.816 | 54% | 0.544 | S | S | * | . | S | Bend | trans | 57.9 | 87.2 | 171.9 | -59 | -84.6 | 0 | 0 | 0 | 117 | Q61 | F59-Q61 PolarHBondContact O-N 3.3Š|
| 60 | D | 38.3 | Very low | 51.3 | Low | 183 Ų | 183 | 106.2 Ų | 106.2 | 98% | 0.979 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 45.6 | 14 | 153.1 | -118.1 | 4.4 | 0 | 0 | 0 | 121 | ||
| 61 | Q | 41.4 | Very low | 53.7 | Low | 159 Ų | 159 | 94.5 Ų | 94.5 | 74% | 0.743 | 48% | 0.482 | S | S | * | . | trans | -127.6 | 122 | 170.4 | -101.5 | 173 | -15.5 | 0 | 0 | 109.2 | F59 L63 | F59-Q61 PolarHBondContact O-N 3.3Å; Q61-L63 VanDerWaalsContact C-N 3.32Å; Q61-L63 PolarHBondContact O-N 2.88Å | ||
| 62 | F | 40 | Very low | 56.3 | Low | 207 Ų | 207 | 91.4 Ų | 91.4 | 91% | 0.908 | 46% | 0.46 | S | S | * | . | trans | -63.7 | 94.3 | 167.3 | -76.1 | -91.6 | 0 | 0 | 0 | 108.5 | D64 | F62-D64 VanDerWaalsContact C-N 3.28Å; F62-D64 PolarHBondContact O-N 3.26Å | ||
| 63 | L | 46.5 | Very low | 59.1 | Low | 127 Ų | 127 | 90.8 Ų | 90.8 | 67% | 0.665 | 46% | 0.456 | S | S | * | . | trans | -75.4 | 85.9 | 166.9 | -92.7 | 150.1 | 0 | 0 | 0 | 108 | Q61 T65 | Q61-L63 VanDerWaalsContact C-N 3.32Å; Q61-L63 PolarHBondContact O-N 2.88Å; L63-T65 PolarHBondContact O-N 3.38Å; L63-T65 VanDerWaalsContact O-N 3.14Å; L63-T65 PolarHBondContact O-OG1 2.8Å | ||
| 64 | D | 52.4 | Low | 62 | Low | 86 Ų | 86 | 82.8 Ų | 82.8 | 46% | 0.46 | 42% | 0.421 | S | S | . | . | trans | -63.4 | 109.2 | 169.9 | -175.3 | 22.2 | 0 | 0 | 0 | 109.1 | F62 A66 R68 | F62-D64 VanDerWaalsContact C-N 3.28Å; F62-D64 PolarHBondContact O-N 3.26Å; D64-A66 VanDerWaalsContact C-N 3.34Å; D64-R68 VanDerWaalsContact CG-NH2 3.3Å; D64-R68 IonicContact OD2-CZ 3.29Å; D64-R68 IonicContact OD2-NH2 2.93Å; D64-R68 PolarHBondContact OD2-NH2 3.37Å | ||
| 65 | T | 54.7 | Low | 64.7 | Low | 30 Ų | 30 | 82.9 Ų | 82.9 | 18% | 0.184 | 42% | 0.42 | C | S | . | . | trans | -93.2 | 16.5 | -168.1 | -4.7 | 0 | 0 | 0 | 0 | 112.9 | I47 E49 V54 L63 | I47-T65 HydrophobicContact CD1-CG2 4.38Å; I47-T65 WeakPolarHBondContact CD1-O 3.2Å; I47-T65 HydrophobicContact CG2-CG2 4.49Å; E49-T65 VanDerWaalsContact OE2-CG2 3.32Å; E49-T65 WeakPolarHBondContact OE2-CG2 3.49Å; V54-T65 PolarHBondContact N-OG1 3.08Å; V54-T65 PolarHBondContact O-OG1 3.17Å; L63-T65 PolarHBondContact O-N 3.38Å; L63-T65 VanDerWaalsContact O-N 3.14Å; L63-T65 PolarHBondContact O-OG1 2.8Å | ||
| 66 | A | 64.9 | Low | 67.3 | Low | 13 Ų | 13 | 80.9 Ų | 80.9 | 11% | 0.107 | 40% | 0.396 | C | S | . | . | trans | -70.3 | 135.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | W24 D64 R68 | W24-A66 WeakPolarHBondContact CH2-O 3.3Å; W24-A66 WeakPolarHBondContact CZ3-O 3.36Å; D64-A66 VanDerWaalsContact C-N 3.34Å; A66-R68 PolarHBondContact O-N 2.9Å | ||
| 67 | A | 72.7 | Confident | 69.8 | Low | 0 Ų | 0 | 87.5 Ų | 87.5 | 0% | 0 | 41% | 0.413 | C | S | . | . | trans | -52.2 | 136.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | S45 N52 H89 | S45-A67 VanDerWaalsContact OG-CA 3.27Å; S45-A67 WeakPolarHBondContact OG-CA 3.27Å; S45-A67 WeakPolarHBondContact OG-CB 3.46Å; N52-A67 PolarHBondContact OD1-N 2.78Å; A67-H89 WeakPolarHBondContact CB-O 3.48Å; A67-H89 PolarHBondContact O-N 2.65Å | ||
| 68 | R | 88.4 | Confident | 72.7 | Confident | 48 Ų | 48 | 78.1 Ų | 78.1 | 18% | 0.181 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 164.5 | 176.3 | -54.3 | 155.1 | 179.3 | 169.5 | -2.6 | 110.8 | W24 S45 D64 A66 F87 D88 | W24-R68 HydrophobicContact CH2-CB 3.13Å; W24-R68 VanDerWaalsContact CH2-CD 3.45Å; W24-R68 HydrophobicContact CH2-CG 3.4Å; W24-R68 HydrophobicContact CZ2-CB 3.54Å; W24-R68 HydrophobicContact CZ2-CG 4.08Å; W24-R68 HydrophobicContact CZ3-CB 4.24Å; W24-R68 HydrophobicContact CZ3-CG 4.38Å; W24-R68 VanDerWaalsContact CZ3-N 3.32Å; S45-R68 PolarHBondContact N-O 3Å; S45-R68 PolarHBondContact OG-N 3.2Å; S45-R68 PolarHBondContact OG-O 2.95Å; S45-R68 VanDerWaalsContact OG-O 3.14Å; D64-R68 VanDerWaalsContact CG-NH2 3.3Å; D64-R68 IonicContact OD2-CZ 3.29Å; D64-R68 IonicContact OD2-NH2 2.93Å; D64-R68 PolarHBondContact OD2-NH2 3.37Å; A66-R68 PolarHBondContact O-N 2.9Å; R68-F87 VanDerWaalsContact CA-O 3.32Å; R68-F87 WeakPolarHBondContact CA-O 3.49Å; R68-F87 WeakPolarHBondContact CB-O 3.39Å; R68-D88 VanDerWaalsContact CG-OD1 3.29Å; R68-D88 WeakPolarHBondContact CG-OD1 3.49Å; R68-D88 IonicContact NE-OD1 3.48Å; R68-D88 PolarHBondContact NE-OD1 2.92Å |
| 69 | V | 94.1 | Very high | 75.4 | Confident | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.2 | 164.5 | 175.3 | 0 | 0 | 0 | 0 | 107.9 | A42 V43 I71 Q86 F87 H89 L96 L110 | A42-V69 HydrophobicContact CB-CG1 4.48Å; V43-V69 CarbonylContact O-C 3.57Å; V43-V69 VanDerWaalsContact O-CA 3.3Å; V43-V69 WeakPolarHBondContact O-CA 3.4Å; V69-I71 HydrophobicContact CG1-CD1 4.27Å; V69-Q86 VanDerWaalsContact O-CA 3.3Å; V69-Q86 WeakPolarHBondContact O-CA 3.33Å; V69-F87 HydrophobicContact CB-CD1 4.24Å; V69-F87 HydrophobicContact CB-CD2 4.33Å; V69-F87 HydrophobicContact CB-CE1 3.64Å; V69-F87 HydrophobicContact CB-CE2 3.72Å; V69-F87 HydrophobicContact CB-CZ 3.37Å; V69-F87 HydrophobicContact CG1-CE1 3.6Å; V69-F87 HydrophobicContact CG1-CE2 4.38Å; V69-F87 HydrophobicContact CG1-CZ 3.54Å; V69-F87 HydrophobicContact CG2-CE2 3.92Å; V69-F87 HydrophobicContact CG2-CZ 3.84Å; V69-F87 PolarHBondContact N-O 2.9Å; V69-F87 PolarHBondContact O-N 2.81Å; V69-H89 HydrophobicContact CG2-CB 4.21Å; V69-L96 HydrophobicContact CG1-CD1 4.18Å; V69-L96 HydrophobicContact CG1-CD2 4.45Å; V69-L96 HydrophobicContact CG2-CD1 4.5Å; V69-L96 HydrophobicContact CG2-CD2 4Å; V69-L110 HydrophobicContact CG1-CD2 4.03Å |
| 70 | Q | 95.8 | Very high | 77.9 | Confident | 10 Ų | 10 | 69.5 Ų | 69.5 | 5% | 0.047 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 142.4 | 173.8 | -70.6 | -180 | -33.3 | 0 | 0 | 109.9 | Y20 A42 V43 I72 N83 Q86 | Y20-Q70 PolarHBondContact OH-OE1 3.08Å; A42-Q70 CarbonylContact C-O 3.59Å; A42-Q70 WeakPolarHBondContact CA-O 3.28Å; V43-Q70 HydrophobicContact CG2-CB 3.94Å; V43-Q70 PolarHBondContact N-O 2.95Å; V43-Q70 PolarHBondContact O-N 2.77Å; Q70-I72 HydrophobicContact CB-CG2 4.45Å; Q70-N83 PolarHBondContact NE2-ND2 3.38Å; Q70-N83 VanDerWaalsContact NE2-ND2 3.13Å; Q70-Q86 HydrophobicContact CG-CB 3.87Å |
| 71 | I | 97.3 | Very high | 80.7 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 109.7 | 172.3 | -47.1 | -52.8 | 0 | 0 | 0 | 106.8 | R40 A42 V69 T84 A85 W98 L110 L122 | R40-I71 HydrophobicContact CG-CG2 3.75Å; A42-I71 HydrophobicContact CB-CD1 3.73Å; V69-I71 HydrophobicContact CG1-CD1 4.27Å; I71-T84 PolarHBondContact O-N 2.85Å; I71-T84 PolarHBondContact O-OG1 2.93Å; I71-A85 HydrophobicContact CB-CB 4.13Å; I71-A85 HydrophobicContact CG1-CB 4.05Å; I71-A85 PolarHBondContact N-O 2.81Å; I71-A85 PolarHBondContact O-N 3.41Å; I71-W98 HydrophobicContact CD1-CH2 4.06Å; I71-W98 HydrophobicContact CD1-CZ2 3.84Å; I71-W98 HydrophobicContact CG1-CH2 4.46Å; I71-W98 HydrophobicContact CG2-CH2 3.98Å; I71-W98 HydrophobicContact CG2-CZ2 3.87Å; I71-L110 HydrophobicContact CD1-CD2 3.71Å; I71-L122 HydrophobicContact CG2-CD2 4.25Å |
| 72 | I | 97.2 | Very high | 83.2 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 152.2 | 179.6 | 66.1 | 169.9 | 0 | 0 | 0 | 110.2 | Y20 R40 I41 V43 Q70 F81 I82 L383 | Y20-I72 HydrophobicContact CD1-CD1 3.67Å; Y20-I72 HydrophobicContact CD1-CG2 4.34Å; Y20-I72 HydrophobicContact CD2-CD1 4.3Å; Y20-I72 HydrophobicContact CD2-CG2 4.33Å; Y20-I72 HydrophobicContact CE1-CD1 4.3Å; Y20-I72 HydrophobicContact CE1-CG2 3.95Å; Y20-I72 HydrophobicContact CE2-CG2 3.96Å; Y20-I72 HydrophobicContact CG-CD1 3.67Å; R40-I72 CarbonylContact C-O 3.58Å; R40-I72 WeakPolarHBondContact CA-O 3.44Å; I41-I72 HydrophobicContact CB-CD1 4.47Å; I41-I72 HydrophobicContact CB-CG1 4.03Å; I41-I72 PolarHBondContact N-O 3.11Å; I41-I72 WeakPolarHBondContact O-CG1 3.42Å; I41-I72 PolarHBondContact O-N 2.8Å; V43-I72 HydrophobicContact CG1-CD1 4.27Å; V43-I72 HydrophobicContact CG2-CG2 4.47Å; Q70-I72 HydrophobicContact CB-CG2 4.45Å; I72-F81 HydrophobicContact CB-CD1 4.28Å; I72-F81 HydrophobicContact CD1-CB 4.32Å; I72-F81 HydrophobicContact CD1-CD1 3.7Å; I72-F81 HydrophobicContact CD1-CE1 4.14Å; I72-F81 HydrophobicContact CD1-CG 4.05Å; I72-F81 HydrophobicContact CG1-CD1 3.98Å; I72-F81 HydrophobicContact CG1-CE1 4.45Å; I72-I82 CarbonylContact C-O 3.49Å; I72-I82 VanDerWaalsContact CA-O 3.26Å; I72-I82 WeakPolarHBondContact CA-O 3.23Å; I72-L383 HydrophobicContact CD1-CD2 3.37Å |
| 73 | Q | 97.1 | Very high | 85.8 | Confident | 47 Ų | 47 | 51.1 Ų | 51.1 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 135.5 | 176 | -171.6 | 159.8 | 14.4 | 0 | 0 | 110.2 | K38 R40 D75 F81 I82 T84 | K38-Q73 PolarHBondContact O-NE2 3.29Å; R40-Q73 HydrophobicContact CB-CG 4.31Å; Q73-D75 PolarHBondContact O-N 2.92Å; Q73-F81 WeakPolarHBondContact O-CA 3.49Å; Q73-I82 PolarHBondContact N-O 2.95Å; Q73-I82 PolarHBondContact O-N 3.25Å; Q73-T84 HydrophobicContact CB-CG2 3.81Å |
| 74 | L | 97 | Very high | 88.2 | Confident | 10 Ų | 10 | 48.6 Ų | 48.6 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 119.7 | 176.1 | -176.7 | 68.4 | 0 | 0 | 0 | 109.5 | Y18 F39 E76 F81 I385 | Y18-L74 HydrophobicContact CD1-CD1 3.59Å; Y18-L74 HydrophobicContact CD1-CD2 4.02Å; Y18-L74 HydrophobicContact CD1-CG 4.43Å; Y18-L74 HydrophobicContact CD2-CD2 3.89Å; Y18-L74 HydrophobicContact CE1-CD1 4.13Å; Y18-L74 HydrophobicContact CE1-CD2 4.07Å; Y18-L74 HydrophobicContact CE2-CD2 3.96Å; Y18-L74 HydrophobicContact CG-CD1 3.88Å; Y18-L74 HydrophobicContact CG-CD2 3.91Å; F39-L74 HydrophobicContact CB-CB 3.53Å; F39-L74 HydrophobicContact CB-CD2 4.38Å; F39-L74 HydrophobicContact CD1-CD2 4.4Å; F39-L74 HydrophobicContact CD2-CB 4.37Å; F39-L74 HydrophobicContact CD2-CD2 3.95Å; F39-L74 HydrophobicContact CE2-CD2 4.25Å; F39-L74 HydrophobicContact CG-CB 4.09Å; F39-L74 HydrophobicContact CG-CD2 4.03Å; F39-L74 PolarHBondContact O-N 2.93Å; L74-E76 HydrophobicContact CD2-CG 4.34Å; L74-E76 PolarHBondContact O-N 2.9Å; L74-F81 HydrophobicContact CB-CD1 3.99Å; L74-F81 HydrophobicContact CB-CE1 3.74Å; L74-F81 HydrophobicContact CB-CZ 4.09Å; L74-F81 HydrophobicContact CD1-CD2 4.07Å; L74-F81 HydrophobicContact CD1-CE2 4.1Å; L74-F81 HydrophobicContact CD1-CG 4.34Å; L74-F81 HydrophobicContact CD1-CZ 4.37Å; L74-I385 HydrophobicContact CD2-CD1 4.21Å |
| 75 | D | 95 | Very high | 90.2 | Very high | 58 Ų | 58 | 45.2 Ų | 45.2 | 31% | 0.31 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 106.7 | 159.5 | -176.6 | -29.3 | 0 | 0 | 0 | 107.4 | Q73 E77 A78 G79 E80 I82 | Q73-D75 PolarHBondContact O-N 2.92Å; D75-E77 PolarHBondContact O-N 2.85Å; D75-E77 WeakPolarHBondContact OD1-CB 3.41Å; D75-E77 PolarHBondContact OD1-N 3.02Å; D75-A78 HydrophobicContact CB-CB 4.02Å; D75-A78 PolarHBondContact OD1-N 2.74Å; D75-G79 VanDerWaalsContact O-CA 3.29Å; D75-G79 WeakPolarHBondContact O-CA 3.23Å; D75-G79 PolarHBondContact O-N 2.87Å; D75-E80 PolarHBondContact N-O 3.02Å; D75-E80 PolarHBondContact O-N 2.88Å; D75-I82 HydrophobicContact CB-CD1 3.71Å; D75-I82 HydrophobicContact CB-CG1 4.24Å |
| 76 | E | 91.5 | Very high | 92.1 | Very high | 86 Ų | 86 | 48.2 Ų | 48.2 | 40% | 0.402 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -27.1 | -177.5 | -67.8 | -173.4 | 87 | 0 | 0 | 112.7 | K38 F39 L74 | K38-E76 WeakPolarHBondContact CD-OE2 3.09Å; K38-E76 IonicContact NZ-OE1 2.73Å; K38-E76 PolarHBondContact NZ-OE1 2.83Å; K38-E76 IonicContact NZ-OE2 3.36Å; K38-E76 PolarHBondContact NZ-OE2 2.91Å; F39-E76 HydrophobicContact CD2-CG 4Å; F39-E76 HydrophobicContact CE2-CG 4.01Å; F39-E76 WeakPolarHBondContact CE2-OE1 3.38Å; L74-E76 HydrophobicContact CD2-CG 4.34Å; L74-E76 PolarHBondContact O-N 2.9Å |
| 77 | E | 91.2 | Very high | 93.4 | Very high | 193 Ų | 193 | 48.7 Ų | 48.7 | 90% | 0.902 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -45 | -179.6 | -63.2 | -172 | 174.2 | 0 | 0 | 110.9 | D75 G79 | D75-E77 PolarHBondContact O-N 2.85Å; D75-E77 WeakPolarHBondContact OD1-CB 3.41Å; D75-E77 PolarHBondContact OD1-N 3.02Å; E77-G79 VanDerWaalsContact C-N 3.33Å |
| 78 | A | 92.8 | Very high | 94.3 | Very high | 56 Ų | 56 | 53.4 Ų | 53.4 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -28.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D75 E80 | D75-A78 HydrophobicContact CB-CB 4.02Å; D75-A78 PolarHBondContact OD1-N 2.74Å; A78-E80 VanDerWaalsContact C-N 3.33Å |
| 79 | G | 92.8 | Very high | 94.4 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 12% | 0.124 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 31.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D75 E77 | D75-G79 VanDerWaalsContact O-CA 3.29Å; D75-G79 WeakPolarHBondContact O-CA 3.23Å; D75-G79 PolarHBondContact O-N 2.87Å; E77-G79 VanDerWaalsContact C-N 3.33Å |
| 80 | E | 94 | Very high | 94.1 | Very high | 132 Ų | 132 | 53.6 Ų | 53.6 | 62% | 0.617 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 149.1 | -177.2 | -66.7 | -176.2 | 173 | 0 | 0 | 110.4 | D75 A78 | D75-E80 PolarHBondContact N-O 3.02Å; D75-E80 PolarHBondContact O-N 2.88Å; A78-E80 VanDerWaalsContact C-N 3.33Å |
| 81 | F | 96.8 | Very high | 93.7 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 8% | 0.083 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 133.1 | 174.1 | -80.2 | -84.1 | 0 | 0 | 0 | 110.9 | Y20 I41 I72 Q73 L74 I385 | Y20-F81 HydrophobicContact CD2-CB 3.66Å; Y20-F81 HydrophobicContact CG-CB 4.07Å; I41-F81 HydrophobicContact CD1-CE1 4.25Å; I41-F81 HydrophobicContact CD1-CZ 4.33Å; I72-F81 HydrophobicContact CB-CD1 4.28Å; I72-F81 HydrophobicContact CD1-CB 4.32Å; I72-F81 HydrophobicContact CD1-CD1 3.7Å; I72-F81 HydrophobicContact CD1-CE1 4.14Å; I72-F81 HydrophobicContact CD1-CG 4.05Å; I72-F81 HydrophobicContact CG1-CD1 3.98Å; I72-F81 HydrophobicContact CG1-CE1 4.45Å; Q73-F81 WeakPolarHBondContact O-CA 3.49Å; L74-F81 HydrophobicContact CB-CD1 3.99Å; L74-F81 HydrophobicContact CB-CE1 3.74Å; L74-F81 HydrophobicContact CB-CZ 4.09Å; L74-F81 HydrophobicContact CD1-CD2 4.07Å; L74-F81 HydrophobicContact CD1-CE2 4.1Å; L74-F81 HydrophobicContact CD1-CG 4.34Å; L74-F81 HydrophobicContact CD1-CZ 4.37Å; F81-I385 HydrophobicContact CE2-CD1 4.32Å; F81-I385 HydrophobicContact CE2-CG1 4.08Å; F81-I385 HydrophobicContact CZ-CD1 3.78Å; F81-I385 HydrophobicContact CZ-CG1 3.9Å; F81-I385 HydrophobicContact CZ-CG2 3.94Å |
| 82 | I | 95.8 | Very high | 93.4 | Very high | 87 Ų | 87 | 61 Ų | 61 | 45% | 0.446 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 135 | 176.9 | -54.9 | 176.3 | 0 | 0 | 0 | 108.6 | I72 Q73 D75 T84 | I72-I82 CarbonylContact C-O 3.49Å; I72-I82 VanDerWaalsContact CA-O 3.26Å; I72-I82 WeakPolarHBondContact CA-O 3.23Å; Q73-I82 PolarHBondContact N-O 2.95Å; Q73-I82 PolarHBondContact O-N 3.25Å; D75-I82 HydrophobicContact CB-CD1 3.71Å; D75-I82 HydrophobicContact CB-CG1 4.24Å; I82-T84 PolarHBondContact O-N 3.13Å |
| 83 | N | 94.6 | Very high | 93.2 | Very high | 57 Ų | 57 | 61.2 Ų | 61.2 | 31% | 0.305 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 115.1 | 168.6 | 179 | -8.4 | 0 | 0 | 0 | 109.4 | Q70 A85 Q86 | Q70-N83 PolarHBondContact NE2-ND2 3.38Å; Q70-N83 VanDerWaalsContact NE2-ND2 3.13Å; N83-A85 PolarHBondContact OD1-N 3.24Å; N83-A85 VanDerWaalsContact OD1-N 3.14Å; N83-A85 PolarHBondContact OD1-O 3.34Å; N83-Q86 PolarHBondContact ND2-OE1 3.06Å; N83-Q86 VanDerWaalsContact ND2-OE1 3.09Å |
| 84 | T | 95.1 | Very high | 93.1 | Very high | 73 Ų | 73 | 60.9 Ų | 60.9 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -27 | -177.4 | 60.6 | 0 | 0 | 0 | 0 | 113.1 | I71 Q73 I82 | I71-T84 PolarHBondContact O-N 2.85Å; I71-T84 PolarHBondContact O-OG1 2.93Å; Q73-T84 HydrophobicContact CB-CG2 3.81Å; I82-T84 PolarHBondContact O-N 3.13Å |
| 85 | A | 95.4 | Very high | 93.1 | Very high | 16 Ų | 16 | 62.4 Ų | 62.4 | 13% | 0.132 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 154.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | I71 N83 L122 V127 | I71-A85 HydrophobicContact CB-CB 4.13Å; I71-A85 HydrophobicContact CG1-CB 4.05Å; I71-A85 PolarHBondContact N-O 2.81Å; I71-A85 PolarHBondContact O-N 3.41Å; N83-A85 PolarHBondContact OD1-N 3.24Å; N83-A85 VanDerWaalsContact OD1-N 3.14Å; N83-A85 PolarHBondContact OD1-O 3.34Å; A85-L122 HydrophobicContact CB-CD1 3.74Å; A85-V127 HydrophobicContact CB-CG2 3.84Å |
| 86 | Q | 93.9 | Very high | 93.2 | Very high | 92 Ų | 92 | 59.7 Ų | 59.7 | 43% | 0.43 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 156.1 | 174.8 | 67.7 | -178.8 | 28.1 | 0 | 0 | 111.7 | V69 Q70 N83 | V69-Q86 VanDerWaalsContact O-CA 3.3Å; V69-Q86 WeakPolarHBondContact O-CA 3.33Å; Q70-Q86 HydrophobicContact CG-CB 3.87Å; N83-Q86 PolarHBondContact ND2-OE1 3.06Å; N83-Q86 VanDerWaalsContact ND2-OE1 3.09Å |
| 87 | F | 93.2 | Very high | 93.5 | Very high | 23 Ų | 23 | 56.7 Ų | 56.7 | 10% | 0.101 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 149 | 175.7 | 60 | -87.1 | 0 | 0 | 0 | 111.4 | R68 V69 L110 T112 Y120 V127 | R68-F87 VanDerWaalsContact CA-O 3.32Å; R68-F87 WeakPolarHBondContact CA-O 3.49Å; R68-F87 WeakPolarHBondContact CB-O 3.39Å; V69-F87 HydrophobicContact CB-CD1 4.24Å; V69-F87 HydrophobicContact CB-CD2 4.33Å; V69-F87 HydrophobicContact CB-CE1 3.64Å; V69-F87 HydrophobicContact CB-CE2 3.72Å; V69-F87 HydrophobicContact CB-CZ 3.37Å; V69-F87 HydrophobicContact CG1-CE1 3.6Å; V69-F87 HydrophobicContact CG1-CE2 4.38Å; V69-F87 HydrophobicContact CG1-CZ 3.54Å; V69-F87 HydrophobicContact CG2-CE2 3.92Å; V69-F87 HydrophobicContact CG2-CZ 3.84Å; V69-F87 PolarHBondContact N-O 2.9Å; V69-F87 PolarHBondContact O-N 2.81Å; F87-L110 HydrophobicContact CE1-CD2 4.03Å; F87-L110 HydrophobicContact CZ-CD2 3.99Å; F87-T112 HydrophobicContact CZ-CG2 4.32Å; F87-Y120 HydrophobicContact CD2-CD1 4.03Å; F87-Y120 AromaticContact CD2-CE1 3.58Å; F87-Y120 HydrophobicContact CD2-CE1 3.58Å; F87-Y120 HydrophobicContact CD2-CE2 4.39Å; F87-Y120 AromaticContact CD2-CZ 3.78Å; F87-Y120 AromaticContact CE2-CD1 3.91Å; F87-Y120 HydrophobicContact CE2-CD1 3.91Å; F87-Y120 AromaticContact CE2-CD2 3.88Å; F87-Y120 HydrophobicContact CE2-CD2 3.88Å; F87-Y120 AromaticContact CE2-CE1 3.58Å; F87-Y120 HydrophobicContact CE2-CE1 3.58Å; F87-Y120 AromaticContact CE2-CE2 3.55Å; F87-Y120 HydrophobicContact CE2-CE2 3.55Å; F87-Y120 HydrophobicContact CE2-CG 4.04Å; F87-Y120 AromaticContact CE2-CZ 3.38Å; F87-Y120 HydrophobicContact CG-CD1 4.48Å; F87-Y120 HydrophobicContact CG-CE1 4.37Å; F87-Y120 HydrophobicContact CZ-CD1 4.24Å; F87-Y120 AromaticContact CZ-CD2 3.89Å; F87-Y120 HydrophobicContact CZ-CD2 3.89Å; F87-Y120 HydrophobicContact CZ-CE1 4.34Å; F87-Y120 HydrophobicContact CZ-CE2 4.02Å; F87-Y120 HydrophobicContact CZ-CG 4Å; F87-V127 HydrophobicContact CB-CB 4.46Å; F87-V127 HydrophobicContact CB-CG1 4.42Å; F87-V127 HydrophobicContact CD1-CB 4.04Å; F87-V127 HydrophobicContact CD1-CG1 3.6Å; F87-V127 HydrophobicContact CD1-CG2 4.05Å; F87-V127 HydrophobicContact CE1-CG1 3.98Å; F87-V127 HydrophobicContact CG-CG1 4.08Å |
| 88 | D | 91.6 | Very high | 93.8 | Very high | 100 Ų | 100 | 47.9 Ų | 47.9 | 54% | 0.535 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 139.5 | 175.8 | -57.1 | -37.5 | 0 | 0 | 0 | 110.9 | R68 | R68-D88 VanDerWaalsContact CG-OD1 3.29Å; R68-D88 WeakPolarHBondContact CG-OD1 3.49Å; R68-D88 IonicContact NE-OD1 3.48Å; R68-D88 PolarHBondContact NE-OD1 2.92Å |
| 89 | H | 90.8 | Very high | 93.9 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 2% | 0.023 | 24% | 0.236 | C | C | . | . | trans | -124.2 | 134.1 | 177.5 | -164.5 | -93.8 | 0 | 0 | 0 | 109.7 | A67 V69 Y91 T112 | A67-H89 WeakPolarHBondContact CB-O 3.48Å; A67-H89 PolarHBondContact O-N 2.65Å; V69-H89 HydrophobicContact CG2-CB 4.21Å; H89-Y91 VanDerWaalsContact C-N 3.25Å; H89-Y91 PolarHBondContact ND1-O 2.8Å; H89-Y91 PolarHBondContact O-N 3.13Å; H89-Y91 VanDerWaalsContact O-N 3.13Å; H89-T112 PolarHBondContact CD2-OG1 3.3Å; H89-T112 PolarHBondContact NE2-OG1 2.86Å | ||
| 90 | P | 86.4 | Confident | 93.9 | Very high | 48 Ų | 48 | 45.7 Ų | 45.7 | 31% | 0.312 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -63.3 | -23.8 | -169.4 | -29.2 | 39.2 | 0 | 0 | 0 | 116.3 | N52 | N52-P90 PolarHBondContact ND2-O 2.85Š|
| 91 | Y | 87.1 | Confident | 93.8 | Very high | 131 Ų | 131 | 40 Ų | 40 | 51% | 0.514 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -146.5 | 166 | 179.2 | -63.9 | -76.6 | 0 | 0 | 0 | 108.7 | H89 A93 D115 | H89-Y91 VanDerWaalsContact C-N 3.25Å; H89-Y91 PolarHBondContact ND1-O 2.8Å; H89-Y91 PolarHBondContact O-N 3.13Å; H89-Y91 VanDerWaalsContact O-N 3.13Å; Y91-A93 PolarHBondContact O-N 3.32Å; Y91-A93 VanDerWaalsContact O-N 3.16Å; Y91-D115 HydrophobicContact CD2-CB 4.03Å; Y91-D115 HydrophobicContact CE2-CB 3.96Å |
| 92 | P | 91.1 | Very high | 93.3 | Very high | 37 Ų | 37 | 42.7 Ų | 42.7 | 24% | 0.24 | 23% | 0.226 | C | C | . | . | trans | -51.5 | 125.4 | 164 | -26.7 | 36.4 | 0 | 0 | 0 | 110.3 | F46 T94 | F46-P92 HydrophobicContact CD2-CB 3.89Å; F46-P92 HydrophobicContact CD2-CG 4.21Å; F46-P92 HydrophobicContact CE2-CB 4.48Å; P92-T94 PolarHBondContact O-N 3.22Å | ||
| 93 | A | 93.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | trans | -69.8 | 128.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y27 A28 Y91 K95 L96 S113 | Y27-A93 WeakPolarHBondContact CD1-O 3.22Å; A28-A93 HydrophobicContact CB-CB 4.45Å; A28-A93 WeakPolarHBondContact CB-O 3.08Å; Y91-A93 PolarHBondContact O-N 3.32Å; Y91-A93 VanDerWaalsContact O-N 3.16Å; A93-K95 VanDerWaalsContact C-N 3.29Å; A93-L96 HydrophobicContact CB-CD2 3.79Å; A93-L96 HydrophobicContact CB-CG 4.35Å; A93-S113 CarbonylContact C-O 3.28Å; A93-S113 WeakPolarHBondContact CA-O 3.45Å | ||
| 94 | T | 94.5 | Very high | 92.5 | Very high | 41 Ų | 41 | 45.6 Ų | 45.6 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -70.4 | -29.8 | 176.9 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | P92 S113 L148 | P92-T94 PolarHBondContact O-N 3.22Å; T94-S113 PolarHBondContact N-O 2.89Å; T94-S113 WeakPolarHBondContact OG1-CB 3.46Å; T94-S113 PolarHBondContact OG1-O 2.89Å; T94-S113 PolarHBondContact OG1-OG 2.89Å; T94-L148 WeakPolarHBondContact CG2-O 3.41Å; T94-L148 PolarHBondContact OG1-O 2.9Å |
| 95 | K | 96.6 | Very high | 92 | Very high | 41 Ų | 41 | 47.2 Ų | 47.2 | 18% | 0.178 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 153.3 | 174.2 | -163.4 | 167.5 | -176.1 | 179.1 | 0 | 110.3 | A93 M97 T112 S113 S150 F151 D208 | A93-K95 VanDerWaalsContact C-N 3.29Å; K95-M97 HydrophobicContact CG-CG 4.4Å; K95-T112 WeakPolarHBondContact O-CA 3.3Å; K95-S113 WeakPolarHBondContact CB-OG 3.28Å; K95-S113 PolarHBondContact N-OG 3Å; K95-S113 VanDerWaalsContact N-OG 3.1Å; K95-S113 PolarHBondContact O-N 2.76Å; K95-S113 VanDerWaalsContact O-N 3.12Å; K95-S150 WeakPolarHBondContact CD-OG 3.49Å; K95-S150 PolarHBondContact NZ-OG 2.93Å; K95-S150 VanDerWaalsContact NZ-OG 3.15Å; K95-F151 HydrophobicContact CB-CD1 3.85Å; K95-F151 HydrophobicContact CB-CE1 3.68Å; K95-F151 HydrophobicContact CD-CD1 4.29Å; K95-F151 VanDerWaalsContact CD-O 3.26Å; K95-F151 WeakPolarHBondContact CD-O 3.29Å; K95-F151 WeakPolarHBondContact CE-O 3.25Å; K95-F151 HydrophobicContact CG-CD1 4.28Å; K95-F151 HydrophobicContact CG-CE1 4.06Å; K95-F151 PolarHBondContact NZ-O 3.37Å; K95-F151 WeakPolarHBondContact O-CE1 3.44Å; K95-D208 IonicContact NZ-OD1 3.51Å |
| 96 | L | 97.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 140.6 | 171.2 | -61.6 | 176.8 | 0 | 0 | 0 | 107.6 | A28 N30 A42 V69 A93 A111 T112 | A28-L96 HydrophobicContact CB-CB 4.49Å; A28-L96 HydrophobicContact CB-CD1 4.05Å; A28-L96 HydrophobicContact CB-CG 3.75Å; N30-L96 HydrophobicContact CB-CB 4.25Å; N30-L96 VanDerWaalsContact CB-O 3.24Å; N30-L96 WeakPolarHBondContact CB-O 3.47Å; A42-L96 HydrophobicContact CB-CD1 4.21Å; V69-L96 HydrophobicContact CG1-CD1 4.18Å; V69-L96 HydrophobicContact CG1-CD2 4.45Å; V69-L96 HydrophobicContact CG2-CD1 4.5Å; V69-L96 HydrophobicContact CG2-CD2 4Å; A93-L96 HydrophobicContact CB-CD2 3.79Å; A93-L96 HydrophobicContact CB-CG 4.35Å; L96-A111 WeakPolarHBondContact CA-O 3.49Å; L96-T112 HydrophobicContact CD2-CG2 3.32Å |
| 97 | M | 97.8 | Very high | 91.2 | Very high | 24 Ų | 24 | 43.1 Ų | 43.1 | 12% | 0.118 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 130.4 | 170.4 | -64.1 | -173.3 | 61.2 | 0 | 0 | 111.3 | N30 K95 A111 F151 D152 W153 | N30-M97 WeakPolarHBondContact OD1-CA 3.26Å; K95-M97 HydrophobicContact CG-CG 4.4Å; M97-A111 PolarHBondContact N-O 2.81Å; M97-A111 PolarHBondContact O-N 3.49Å; M97-F151 HydrophobicContact CB-CE2 3.65Å; M97-F151 HydrophobicContact CB-CZ 3.73Å; M97-F151 HydrophobicContact CG-CE2 3.77Å; M97-F151 HydrophobicContact CG-CZ 3.78Å; M97-F151 HydrophobicContact SD-CD2 4.15Å; M97-F151 HydrophobicContact SD-CE2 3.89Å; M97-F151 HydrophobicContact SD-CZ 4.4Å; M97-D152 VanDerWaalsContact CE-OD1 3.28Å; M97-D152 WeakPolarHBondContact CE-OD1 3.44Å; M97-W153 HydrophobicContact CE-CB 4.13Å |
| 98 | W | 97.1 | Very high | 91.1 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 151.7 | 166 | -67.9 | 90.4 | 0 | 0 | 0 | 110.2 | N30 W31 R40 A42 I71 D108 L110 L122 | N30-W98 PolarHBondContact O-NE1 3.19Å; N30-W98 PolarHBondContact OD1-N 3.24Å; W31-W98 VanDerWaalsContact O-CD1 3.27Å; R40-W98 HydrophobicContact CG-CZ2 4.4Å; A42-W98 HydrophobicContact CB-CZ2 4Å; I71-W98 HydrophobicContact CD1-CH2 4.06Å; I71-W98 HydrophobicContact CD1-CZ2 3.84Å; I71-W98 HydrophobicContact CG1-CH2 4.46Å; I71-W98 HydrophobicContact CG2-CH2 3.98Å; I71-W98 HydrophobicContact CG2-CZ2 3.87Å; W98-D108 WeakPolarHBondContact CZ3-OD1 3.37Å; W98-L110 HydrophobicContact CD2-CD1 3.98Å; W98-L110 HydrophobicContact CE3-CB 4.25Å; W98-L110 HydrophobicContact CG-CD1 4.12Å; W98-L110 HydrophobicContact CZ3-CB 4.31Å; W98-L122 HydrophobicContact CH2-CD2 3.83Å; W98-L122 HydrophobicContact CZ3-CB 4.47Å; W98-L122 HydrophobicContact CZ3-CD2 4.24Å |
| 99 | I | 95.1 | Very high | 91.2 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 4% | 0.036 | 19% | 0.191 | C | C | . | . | trans | -53.4 | 132.4 | 168.2 | -175.2 | 169.4 | 0 | 0 | 0 | 109.6 | D101 C106 L109 W153 V158 I181 | I99-D101 HydrophobicContact CG1-CB 4.26Å; I99-D101 HydrophobicContact CG2-CB 4.24Å; I99-D101 PolarHBondContact O-N 3.35Å; I99-C106 HydrophobicContact CD1-CB 3.74Å; I99-L109 HydrophobicContact CB-CB 4.1Å; I99-L109 HydrophobicContact CD1-CD1 4.24Å; I99-L109 HydrophobicContact CG2-CB 4.14Å; I99-L109 PolarHBondContact N-O 3.26Å; I99-W153 HydrophobicContact CB-CH2 3.93Å; I99-W153 HydrophobicContact CB-CZ2 4.01Å; I99-W153 HydrophobicContact CB-CZ3 4.24Å; I99-W153 HydrophobicContact CD1-CZ2 4.07Å; I99-W153 HydrophobicContact CG1-CH2 4.24Å; I99-W153 HydrophobicContact CG1-CZ2 3.79Å; I99-V158 HydrophobicContact CD1-CB 4.4Å; I99-V158 HydrophobicContact CG1-CB 4.38Å; I99-I181 HydrophobicContact CD1-CG2 3.94Å | ||
| 100 | P | 93.7 | Very high | 91.5 | Very high | 15 Ų | 15 | 38.1 Ų | 38.1 | 10% | 0.097 | 19% | 0.191 | C | C | . | . | trans | -79.4 | 55.5 | -177.9 | 30 | -33.2 | 0 | 0 | 0 | 112.4 | I33 V102 W153 E155 V158 | I33-P100 VanDerWaalsContact CD1-C 3.5Å; I33-P100 HydrophobicContact CD1-CB 3.91Å; P100-V102 PolarHBondContact O-N 2.97Å; P100-W153 VanDerWaalsContact CD-CD1 3.45Å; P100-W153 HydrophobicContact CG-CB 3.96Å; P100-W153 HydrophobicContact CG-CG 3.82Å; P100-E155 HydrophobicContact CB-CB 4.49Å; P100-E155 HydrophobicContact CB-CG 3.84Å; P100-E155 HydrophobicContact CG-CG 4.2Å; P100-V158 HydrophobicContact CG-CG1 4.22Å | ||
| 101 | D | 90.5 | Very high | 92.1 | Very high | 13 Ų | 13 | 35.9 Ų | 35.9 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | trans | -98.5 | 80.8 | -179.3 | 176.8 | 29.2 | 0 | 0 | 0 | 112 | I99 R103 G104 Q105 C106 | I99-D101 HydrophobicContact CG1-CB 4.26Å; I99-D101 HydrophobicContact CG2-CB 4.24Å; I99-D101 PolarHBondContact O-N 3.35Å; D101-R103 PolarHBondContact O-N 3.11Å; D101-R103 VanDerWaalsContact O-N 3.08Å; D101-R103 PolarHBondContact OD1-N 2.74Å; D101-G104 PolarHBondContact O-N 2.66Å; D101-G104 VanDerWaalsContact O-N 3.17Å; D101-G104 PolarHBondContact OD1-N 2.89Å; D101-G104 VanDerWaalsContact OD1-N 3.17Å; D101-G104 WeakPolarHBondContact OD2-CA 3.36Å; D101-G104 PolarHBondContact OD2-N 3.15Å; D101-Q105 PolarHBondContact OD1-N 3.42Å; D101-Q105 PolarHBondContact OD2-N 3.08Å; D101-C106 HydrophobicContact CB-CB 4.02Å; D101-C106 VanDerWaalsContact CG-SG 3.58Å; D101-C106 WeakPolarHBondContact OD2-CA 3.25Å; D101-C106 VanDerWaalsContact OD2-CB 3.28Å; D101-C106 WeakPolarHBondContact OD2-CB 3.47Å; D101-C106 PolarHBondContact OD2-N 3.22Å | ||
| 102 | V | 87.6 | Confident | 92.5 | Very high | 76 Ų | 76 | 29.6 Ų | 29.6 | 46% | 0.461 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -12.6 | 178.7 | -60.8 | 0 | 0 | 0 | 0 | 114.1 | I33 P35 P100 | I33-V102 HydrophobicContact CD1-CG1 3.61Å; I33-V102 HydrophobicContact CG1-CG1 4.46Å; P35-V102 WeakPolarHBondContact CG-O 3.26Å; P100-V102 PolarHBondContact O-N 2.97Å |
| 103 | R | 87.7 | Confident | 92.7 | Very high | 184 Ų | 184 | 27.9 Ų | 27.9 | 69% | 0.694 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -8.5 | 179.8 | -62.9 | -174.5 | -179.7 | 175.6 | -0 | 113 | D101 Q105 | D101-R103 PolarHBondContact O-N 3.11Å; D101-R103 VanDerWaalsContact O-N 3.08Å; D101-R103 PolarHBondContact OD1-N 2.74Å; R103-Q105 HydrophobicContact CB-CG 3.73Å; R103-Q105 PolarHBondContact O-N 3.28Å |
| 104 | G | 85.8 | Confident | 92.7 | Very high | 20 Ų | 20 | 28 Ų | 28 | 21% | 0.206 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 63.7 | 24.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R34 D101 | R34-G104 PolarHBondContact NH2-O 2.79Å; D101-G104 PolarHBondContact O-N 2.66Å; D101-G104 VanDerWaalsContact O-N 3.17Å; D101-G104 PolarHBondContact OD1-N 2.89Å; D101-G104 VanDerWaalsContact OD1-N 3.17Å; D101-G104 WeakPolarHBondContact OD2-CA 3.36Å; D101-G104 PolarHBondContact OD2-N 3.15Å |
| 105 | Q | 84.8 | Confident | 92.5 | Very high | 108 Ų | 108 | 27.6 Ų | 27.6 | 51% | 0.505 | 14% | 0.138 | S | C | . | . | trans | -84.2 | -18.6 | -178.2 | -67.7 | -178.4 | -33.6 | 0 | 0 | 113.4 | D101 R103 | D101-Q105 PolarHBondContact OD1-N 3.42Å; D101-Q105 PolarHBondContact OD2-N 3.08Å; R103-Q105 HydrophobicContact CB-CG 3.73Å; R103-Q105 PolarHBondContact O-N 3.28Å | ||
| 106 | C | 84.2 | Confident | 92.3 | Very high | 10 Ų | 10 | 27.6 Ų | 27.6 | 7% | 0.068 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -96.5 | 164.8 | -178.4 | -51.9 | 0 | 0 | 0 | 0 | 110.3 | R34 I99 D101 I181 | R34-C106 PolarHBondContact NH1-O 3.32Å; I99-C106 HydrophobicContact CD1-CB 3.74Å; D101-C106 HydrophobicContact CB-CB 4.02Å; D101-C106 VanDerWaalsContact CG-SG 3.58Å; D101-C106 WeakPolarHBondContact OD2-CA 3.25Å; D101-C106 VanDerWaalsContact OD2-CB 3.28Å; D101-C106 WeakPolarHBondContact OD2-CB 3.47Å; D101-C106 PolarHBondContact OD2-N 3.22Å; C106-I181 WeakPolarHBondContact CA-O 3.26Å; C106-I181 HydrophobicContact CB-CG2 4.02Å; C106-I181 WeakPolarHBondContact CB-O 3.34Å; C106-I181 PolarHBondContact SG-O 2.85Å; C106-I181 VanDerWaalsContact SG-O 3.42Å |
| 107 | S | 87.1 | Confident | 92.1 | Very high | 11 Ų | 11 | 27.6 Ų | 27.6 | 8% | 0.077 | 14% | 0.137 | C | C | . | . | trans | -59.2 | 145.5 | 165.3 | -62.5 | 0 | 0 | 0 | 0 | 110.8 | L109 R121 V184 | S107-L109 PolarHBondContact O-N 2.83Å; S107-R121 PolarHBondContact OG-NH1 3.2Å; S107-V184 WeakPolarHBondContact OG-CB 3.24Å; S107-V184 WeakPolarHBondContact OG-CG1 3.42Å | ||
| 108 | D | 91.9 | Very high | 91.9 | Very high | 18 Ų | 18 | 27.1 Ų | 27.1 | 10% | 0.096 | 13% | 0.134 | C | C | . | . | trans | -77 | 94.1 | -178.5 | -160.9 | 15.6 | 0 | 0 | 0 | 110 | R40 W98 R121 L122 | R40-D108 IonicContact CZ-OD1 2.88Å; R40-D108 IonicContact CZ-OD2 3.67Å; R40-D108 IonicContact NH1-OD1 3.34Å; R40-D108 IonicContact NH1-OD2 2.79Å; R40-D108 PolarHBondContact NH1-OD2 3.39Å; R40-D108 VanDerWaalsContact NH2-CG 3.25Å; R40-D108 IonicContact NH2-OD1 3.84Å; R40-D108 PolarHBondContact NH2-OD1 3.15Å; R40-D108 IonicContact NH2-OD2 3.86Å; R40-D108 PolarHBondContact NH2-OD2 3.35Å; W98-D108 WeakPolarHBondContact CZ3-OD1 3.37Å; D108-R121 WeakPolarHBondContact O-CA 3.36Å; D108-L122 HydrophobicContact CB-CB 4.42Å; D108-L122 PolarHBondContact O-N 3.23Å | ||
| 109 | L | 94.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 141.7 | -173.8 | -57.1 | 179.6 | 0 | 0 | 0 | 111.5 | I99 S107 V119 Y120 R121 E130 W153 V191 | I99-L109 HydrophobicContact CB-CB 4.1Å; I99-L109 HydrophobicContact CD1-CD1 4.24Å; I99-L109 HydrophobicContact CG2-CB 4.14Å; I99-L109 PolarHBondContact N-O 3.26Å; S107-L109 PolarHBondContact O-N 2.83Å; L109-V119 HydrophobicContact CB-CG1 4.03Å; L109-V119 HydrophobicContact CD1-CG1 4.08Å; L109-V119 HydrophobicContact CD2-CG1 4.23Å; L109-V119 HydrophobicContact CG-CG1 4.33Å; L109-Y120 CarbonylContact C-O 3.59Å; L109-Y120 VanDerWaalsContact CA-O 3.23Å; L109-Y120 WeakPolarHBondContact CA-O 3.47Å; L109-R121 HydrophobicContact CD2-CB 3.85Å; L109-R121 HydrophobicContact CD2-CG 4.27Å; L109-E130 HydrophobicContact CD2-CG 4.38Å; L109-W153 HydrophobicContact CB-CH2 4.07Å; L109-W153 HydrophobicContact CD1-CH2 4.37Å; L109-V191 HydrophobicContact CD1-CG2 4.02Å; L109-V191 HydrophobicContact CD2-CG2 4.11Å |
| 110 | L | 97.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 121.1 | 171.9 | 178 | 68.5 | 0 | 0 | 0 | 108.6 | A42 V69 I71 F87 W98 T112 Y120 | A42-L110 HydrophobicContact CB-CD1 3.84Å; A42-L110 HydrophobicContact CB-CD2 3.89Å; V69-L110 HydrophobicContact CG1-CD2 4.03Å; I71-L110 HydrophobicContact CD1-CD2 3.71Å; F87-L110 HydrophobicContact CE1-CD2 4.03Å; F87-L110 HydrophobicContact CZ-CD2 3.99Å; W98-L110 HydrophobicContact CD2-CD1 3.98Å; W98-L110 HydrophobicContact CE3-CB 4.25Å; W98-L110 HydrophobicContact CG-CD1 4.12Å; W98-L110 HydrophobicContact CZ3-CB 4.31Å; L110-T112 HydrophobicContact CG-CG2 4.42Å; L110-Y120 PolarHBondContact N-O 3.08Å; L110-Y120 PolarHBondContact O-N 3.04Å |
| 111 | A | 97.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 144.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | L96 M97 L117 R118 V119 F151 W153 I161 | L96-A111 WeakPolarHBondContact CA-O 3.49Å; M97-A111 PolarHBondContact N-O 2.81Å; M97-A111 PolarHBondContact O-N 3.49Å; A111-L117 HydrophobicContact CB-CD1 4.34Å; A111-R118 CarbonylContact C-O 3.51Å; A111-R118 VanDerWaalsContact CA-O 3.26Å; A111-R118 WeakPolarHBondContact CA-O 3.08Å; A111-V119 HydrophobicContact CB-CG2 4.41Å; A111-F151 HydrophobicContact CB-CE2 3.56Å; A111-F151 HydrophobicContact CB-CZ 3.67Å; A111-F151 WeakPolarHBondContact O-CZ 3.43Å; A111-W153 HydrophobicContact CB-CE3 3.89Å; A111-W153 HydrophobicContact CB-CH2 4.45Å; A111-W153 HydrophobicContact CB-CZ3 3.46Å; A111-W153 VanDerWaalsContact CB-CZ3 3.46Å; A111-I161 HydrophobicContact CB-CD1 4.22Å |
| 112 | T | 97 | Very high | 91.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 142.5 | 176.1 | 75.5 | 0 | 0 | 0 | 0 | 109.9 | F87 H89 K95 L96 L110 L117 R118 Y120 | F87-T112 HydrophobicContact CZ-CG2 4.32Å; H89-T112 PolarHBondContact CD2-OG1 3.3Å; H89-T112 PolarHBondContact NE2-OG1 2.86Å; K95-T112 WeakPolarHBondContact O-CA 3.3Å; L96-T112 HydrophobicContact CD2-CG2 3.32Å; L110-T112 HydrophobicContact CG-CG2 4.42Å; T112-L117 WeakPolarHBondContact O-CA 3.24Å; T112-R118 PolarHBondContact N-O 3.06Å; T112-R118 PolarHBondContact O-N 2.84Å; T112-Y120 HydrophobicContact CG2-CD2 3.96Å; T112-Y120 HydrophobicContact CG2-CE2 3.8Å |
| 113 | S | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 144 | 173.1 | 56.5 | 0 | 0 | 0 | 0 | 111.3 | A93 T94 K95 F151 | A93-S113 CarbonylContact C-O 3.28Å; A93-S113 WeakPolarHBondContact CA-O 3.45Å; T94-S113 PolarHBondContact N-O 2.89Å; T94-S113 WeakPolarHBondContact OG1-CB 3.46Å; T94-S113 PolarHBondContact OG1-O 2.89Å; T94-S113 PolarHBondContact OG1-OG 2.89Å; K95-S113 WeakPolarHBondContact CB-OG 3.28Å; K95-S113 PolarHBondContact N-OG 3Å; K95-S113 VanDerWaalsContact N-OG 3.1Å; K95-S113 PolarHBondContact O-N 2.76Å; K95-S113 VanDerWaalsContact O-N 3.12Å; S113-F151 VanDerWaalsContact CB-CD1 3.49Å; S113-F151 VanDerWaalsContact OG-CD1 3.31Å; S113-F151 WeakPolarHBondContact OG-CD1 3.43Å |
| 114 | A | 93.3 | Very high | 92 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 5% | 0.05 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -160.1 | -112.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y116 L148 | A114-Y116 VanDerWaalsContact C-N 3.27Å; A114-Y116 PolarHBondContact N-O 3Å; A114-Y116 VanDerWaalsContact N-O 3.17Å; A114-Y116 PolarHBondContact O-N 2.93Å; A114-L148 WeakPolarHBondContact O-CB 3.49Å; A114-L148 PolarHBondContact O-N 3.32Å |
| 115 | D | 89.9 | Confident | 92.1 | Very high | 33 Ų | 33 | 29.9 Ų | 29.9 | 18% | 0.176 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -60 | -35.9 | 165.7 | 59.3 | -32.7 | 0 | 0 | 0 | 112.9 | Y91 R118 | Y91-D115 HydrophobicContact CD2-CB 4.03Å; Y91-D115 HydrophobicContact CE2-CB 3.96Å; D115-R118 VanDerWaalsContact CG-NH2 3.27Å; D115-R118 IonicContact OD1-CZ 3.9Å; D115-R118 VanDerWaalsContact OD1-CZ 3.22Å; D115-R118 IonicContact OD1-NH1 2.88Å; D115-R118 PolarHBondContact OD1-NH1 3.01Å; D115-R118 IonicContact OD1-NH2 3.99Å; D115-R118 PolarHBondContact OD1-NH2 2.69Å; D115-R118 IonicContact OD2-CZ 3.3Å; D115-R118 IonicContact OD2-NH2 3.69Å; D115-R118 PolarHBondContact OD2-NH2 2.8Å |
| 116 | Y | 92.2 | Very high | 92.3 | Very high | 41 Ų | 41 | 26 Ų | 26 | 16% | 0.161 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -137.5 | 162.3 | 177.1 | -59.6 | -61.3 | 0 | 0 | 0 | 110.6 | A114 R118 L132 N134 C145 | A114-Y116 VanDerWaalsContact C-N 3.27Å; A114-Y116 PolarHBondContact N-O 3Å; A114-Y116 VanDerWaalsContact N-O 3.17Å; A114-Y116 PolarHBondContact O-N 2.93Å; Y116-R118 PolarHBondContact O-NH1 2.92Å; Y116-L132 HydrophobicContact CD2-CD1 3.94Å; Y116-L132 HydrophobicContact CG-CD1 4Å; Y116-N134 HydrophobicContact CD1-CB 3.48Å; Y116-N134 VanDerWaalsContact CD1-CB 3.48Å; Y116-N134 HydrophobicContact CE1-CB 3.51Å; Y116-N134 HydrophobicContact CG-CB 4.21Å; Y116-C145 HydrophobicContact CD1-CB 4.24Å; Y116-C145 HydrophobicContact CE1-CB 3.48Å; Y116-C145 VanDerWaalsContact CE1-CB 3.48Å |
| 117 | L | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 128.8 | 166.3 | 179.6 | 76.1 | 0 | 0 | 0 | 108.2 | A111 T112 L133 L148 F151 I161 T163 W173 | A111-L117 HydrophobicContact CB-CD1 4.34Å; T112-L117 WeakPolarHBondContact O-CA 3.24Å; L117-L133 HydrophobicContact CB-CB 4.1Å; L117-L133 HydrophobicContact CB-CD1 4.46Å; L117-L133 HydrophobicContact CD2-CB 4.37Å; L117-L133 HydrophobicContact CD2-CD1 4.08Å; L117-L133 HydrophobicContact CD2-CD2 3.97Å; L117-L133 HydrophobicContact CD2-CG 4.37Å; L117-L133 HydrophobicContact CG-CD1 4.12Å; L117-L133 PolarHBondContact N-O 2.91Å; L117-L133 WeakPolarHBondContact O-CD1 3.34Å; L117-L133 PolarHBondContact O-N 2.88Å; L117-L148 HydrophobicContact CB-CD1 3.67Å; L117-L148 VanDerWaalsContact N-CD1 3.34Å; L117-F151 HydrophobicContact CD1-CB 4.45Å; L117-F151 HydrophobicContact CD1-CD1 4.14Å; L117-F151 HydrophobicContact CD1-CD2 4.11Å; L117-F151 HydrophobicContact CD1-CE1 4.35Å; L117-F151 HydrophobicContact CD1-CE2 4.33Å; L117-F151 HydrophobicContact CD1-CG 3.99Å; L117-F151 HydrophobicContact CD1-CZ 4.45Å; L117-I161 HydrophobicContact CD1-CG2 4.37Å; L117-I161 HydrophobicContact CD2-CB 4.22Å; L117-I161 HydrophobicContact CD2-CD1 4.24Å; L117-I161 HydrophobicContact CD2-CG2 3.67Å; L117-T163 HydrophobicContact CB-CG2 4.2Å; L117-T163 HydrophobicContact CD1-CG2 4.29Å; L117-T163 HydrophobicContact CD2-CG2 3.82Å; L117-T163 HydrophobicContact CG-CG2 4.34Å; L117-W173 HydrophobicContact CD2-CG 4.25Å |
| 118 | R | 94 | Very high | 93 | Very high | 14 Ų | 14 | 29.9 Ų | 29.9 | 5% | 0.053 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 143.4 | 176.7 | -67.5 | 172.5 | -176.1 | 78.5 | -1 | 109.1 | A111 T112 D115 Y116 Y120 M129 L132 | A111-R118 CarbonylContact C-O 3.51Å; A111-R118 VanDerWaalsContact CA-O 3.26Å; A111-R118 WeakPolarHBondContact CA-O 3.08Å; T112-R118 PolarHBondContact N-O 3.06Å; T112-R118 PolarHBondContact O-N 2.84Å; D115-R118 VanDerWaalsContact CG-NH2 3.27Å; D115-R118 IonicContact OD1-CZ 3.9Å; D115-R118 VanDerWaalsContact OD1-CZ 3.22Å; D115-R118 IonicContact OD1-NH1 2.88Å; D115-R118 PolarHBondContact OD1-NH1 3.01Å; D115-R118 IonicContact OD1-NH2 3.99Å; D115-R118 PolarHBondContact OD1-NH2 2.69Å; D115-R118 IonicContact OD2-CZ 3.3Å; D115-R118 IonicContact OD2-NH2 3.69Å; D115-R118 PolarHBondContact OD2-NH2 2.8Å; Y116-R118 PolarHBondContact O-NH1 2.92Å; R118-Y120 HydrophobicContact CB-CD2 4.28Å; R118-Y120 HydrophobicContact CB-CE2 3.51Å; R118-Y120 VanDerWaalsContact CD-OH 3.26Å; R118-Y120 WeakPolarHBondContact CD-OH 3.35Å; R118-M129 HydrophobicContact CG-SD 4.44Å; R118-L132 HydrophobicContact CG-CD1 3.49Å; R118-L132 VanDerWaalsContact CG-CD1 3.49Å |
| 119 | V | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 126 | 172.2 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | L109 A111 E130 C131 L133 W153 I161 L175 | L109-V119 HydrophobicContact CB-CG1 4.03Å; L109-V119 HydrophobicContact CD1-CG1 4.08Å; L109-V119 HydrophobicContact CD2-CG1 4.23Å; L109-V119 HydrophobicContact CG-CG1 4.33Å; A111-V119 HydrophobicContact CB-CG2 4.41Å; V119-E130 PolarHBondContact O-N 3.1Å; V119-C131 PolarHBondContact N-O 2.86Å; V119-C131 PolarHBondContact O-N 3.17Å; V119-L133 HydrophobicContact CG2-CD1 3.9Å; V119-W153 HydrophobicContact CG1-CH2 4.45Å; V119-I161 HydrophobicContact CG2-CD1 4.42Å; V119-L175 HydrophobicContact CG2-CD2 4.35Å |
| 120 | Y | 94.8 | Very high | 92.7 | Very high | 15 Ų | 15 | 34.4 Ų | 34.4 | 6% | 0.059 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 146.8 | 178.2 | -61 | -94.8 | 0 | 0 | 0 | 109.6 | F87 L109 L110 T112 R118 V127 T128 M129 | F87-Y120 HydrophobicContact CD2-CD1 4.03Å; F87-Y120 AromaticContact CD2-CE1 3.58Å; F87-Y120 HydrophobicContact CD2-CE1 3.58Å; F87-Y120 HydrophobicContact CD2-CE2 4.39Å; F87-Y120 AromaticContact CD2-CZ 3.78Å; F87-Y120 AromaticContact CE2-CD1 3.91Å; F87-Y120 HydrophobicContact CE2-CD1 3.91Å; F87-Y120 AromaticContact CE2-CD2 3.88Å; F87-Y120 HydrophobicContact CE2-CD2 3.88Å; F87-Y120 AromaticContact CE2-CE1 3.58Å; F87-Y120 HydrophobicContact CE2-CE1 3.58Å; F87-Y120 AromaticContact CE2-CE2 3.55Å; F87-Y120 HydrophobicContact CE2-CE2 3.55Å; F87-Y120 HydrophobicContact CE2-CG 4.04Å; F87-Y120 AromaticContact CE2-CZ 3.38Å; F87-Y120 HydrophobicContact CG-CD1 4.48Å; F87-Y120 HydrophobicContact CG-CE1 4.37Å; F87-Y120 HydrophobicContact CZ-CD1 4.24Å; F87-Y120 AromaticContact CZ-CD2 3.89Å; F87-Y120 HydrophobicContact CZ-CD2 3.89Å; F87-Y120 HydrophobicContact CZ-CE1 4.34Å; F87-Y120 HydrophobicContact CZ-CE2 4.02Å; F87-Y120 HydrophobicContact CZ-CG 4Å; L109-Y120 CarbonylContact C-O 3.59Å; L109-Y120 VanDerWaalsContact CA-O 3.23Å; L109-Y120 WeakPolarHBondContact CA-O 3.47Å; L110-Y120 PolarHBondContact N-O 3.08Å; L110-Y120 PolarHBondContact O-N 3.04Å; T112-Y120 HydrophobicContact CG2-CD2 3.96Å; T112-Y120 HydrophobicContact CG2-CE2 3.8Å; R118-Y120 HydrophobicContact CB-CD2 4.28Å; R118-Y120 HydrophobicContact CB-CE2 3.51Å; R118-Y120 VanDerWaalsContact CD-OH 3.26Å; R118-Y120 WeakPolarHBondContact CD-OH 3.35Å; Y120-V127 HydrophobicContact CD1-CG1 3.93Å; Y120-V127 HydrophobicContact CG-CG1 4.22Å; Y120-T128 CarbonylContact C-O 3.56Å; Y120-T128 VanDerWaalsContact CA-O 3.27Å; Y120-T128 WeakPolarHBondContact CA-O 3.32Å; Y120-M129 HydrophobicContact CD1-CB 3.9Å; Y120-M129 HydrophobicContact CD1-CG 4.28Å; Y120-M129 HydrophobicContact CE1-CB 3.83Å; Y120-M129 HydrophobicContact CE1-CG 4.03Å |
| 121 | R | 93.3 | Very high | 92.3 | Very high | 19 Ų | 19 | 34.9 Ų | 34.9 | 7% | 0.072 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 128.3 | 169.4 | 179 | -169.1 | -54.5 | -92 | -9 | 109.2 | S107 D108 L109 V127 T128 E130 G189 | S107-R121 PolarHBondContact OG-NH1 3.2Å; D108-R121 WeakPolarHBondContact O-CA 3.36Å; L109-R121 HydrophobicContact CD2-CB 3.85Å; L109-R121 HydrophobicContact CD2-CG 4.27Å; R121-V127 WeakPolarHBondContact O-CA 3.42Å; R121-T128 PolarHBondContact N-O 3.36Å; R121-T128 PolarHBondContact O-N 3.14Å; R121-E130 HydrophobicContact CB-CG 3.58Å; R121-E130 IonicContact CZ-OE1 3.68Å; R121-E130 IonicContact CZ-OE2 3.74Å; R121-E130 IonicContact NE-OE1 3.22Å; R121-E130 PolarHBondContact NE-OE1 3.17Å; R121-E130 IonicContact NE-OE2 3.35Å; R121-E130 VanDerWaalsContact NH2-CD 3.3Å; R121-E130 IonicContact NH2-OE1 2.91Å; R121-E130 IonicContact NH2-OE2 2.68Å; R121-E130 PolarHBondContact NH2-OE2 2.71Å; R121-G189 PolarHBondContact NH2-O 2.76Å |
| 122 | L | 93.5 | Very high | 91.9 | Very high | 27 Ų | 27 | 38.2 Ų | 38.2 | 14% | 0.141 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 132.5 | 166 | -174 | 64.2 | 0 | 0 | 0 | 109.3 | I71 A85 W98 D108 V127 | I71-L122 HydrophobicContact CG2-CD2 4.25Å; A85-L122 HydrophobicContact CB-CD1 3.74Å; W98-L122 HydrophobicContact CH2-CD2 3.83Å; W98-L122 HydrophobicContact CZ3-CB 4.47Å; W98-L122 HydrophobicContact CZ3-CD2 4.24Å; D108-L122 HydrophobicContact CB-CB 4.42Å; D108-L122 PolarHBondContact O-N 3.23Å; L122-V127 HydrophobicContact CD1-CG2 3.52Å |
| 123 | S | 90.4 | Very high | 91.6 | Very high | 47 Ų | 47 | 38.5 Ų | 38.5 | 33% | 0.329 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 172.9 | 178.1 | 68.3 | 0 | 0 | 0 | 0 | 109.9 | D125 G126 | S123-D125 PolarHBondContact O-N 3.4Å; S123-D125 PolarHBondContact OG-N 2.77Å; S123-G126 PolarHBondContact N-O 2.81Å; S123-G126 PolarHBondContact O-N 2.8Å; S123-G126 VanDerWaalsContact O-N 3.16Å; S123-G126 PolarHBondContact OG-O 2.95Å |
| 124 | S | 87.3 | Confident | 90.9 | Very high | 120 Ų | 120 | 40.4 Ų | 40.4 | 84% | 0.839 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -26.7 | 172.5 | 52.6 | 0 | 0 | 0 | 0 | 113.1 | G126 | S124-G126 VanDerWaalsContact C-N 3.32Š|
| 125 | D | 86.4 | Confident | 89.7 | Confident | 152 Ų | 152 | 41.1 Ų | 41.1 | 81% | 0.813 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 1.5 | -175.3 | -55.1 | -21.6 | 0 | 0 | 0 | 112.3 | S123 | S123-D125 PolarHBondContact O-N 3.4Å; S123-D125 PolarHBondContact OG-N 2.77Å |
| 126 | G | 90.4 | Very high | 88.4 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 27% | 0.268 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 115.5 | -159.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S123 S124 | S123-G126 PolarHBondContact N-O 2.81Å; S123-G126 PolarHBondContact O-N 2.8Å; S123-G126 VanDerWaalsContact O-N 3.16Å; S123-G126 PolarHBondContact OG-O 2.95Å; S124-G126 VanDerWaalsContact C-N 3.32Å |
| 127 | V | 93.4 | Very high | 86.5 | Confident | 37 Ų | 37 | 47.2 Ų | 47.2 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 130.1 | -176.6 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | A85 F87 Y120 R121 L122 | A85-V127 HydrophobicContact CB-CG2 3.84Å; F87-V127 HydrophobicContact CB-CB 4.46Å; F87-V127 HydrophobicContact CB-CG1 4.42Å; F87-V127 HydrophobicContact CD1-CB 4.04Å; F87-V127 HydrophobicContact CD1-CG1 3.6Å; F87-V127 HydrophobicContact CD1-CG2 4.05Å; F87-V127 HydrophobicContact CE1-CG1 3.98Å; F87-V127 HydrophobicContact CG-CG1 4.08Å; Y120-V127 HydrophobicContact CD1-CG1 3.93Å; Y120-V127 HydrophobicContact CG-CG1 4.22Å; R121-V127 WeakPolarHBondContact O-CA 3.42Å; L122-V127 HydrophobicContact CD1-CG2 3.52Å |
| 128 | T | 92.5 | Very high | 84.5 | Confident | 67 Ų | 67 | 53.2 Ų | 53.2 | 41% | 0.411 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 136.9 | 177.7 | 53.7 | 0 | 0 | 0 | 0 | 110.5 | Y120 R121 E130 | Y120-T128 CarbonylContact C-O 3.56Å; Y120-T128 VanDerWaalsContact CA-O 3.27Å; Y120-T128 WeakPolarHBondContact CA-O 3.32Å; R121-T128 PolarHBondContact N-O 3.36Å; R121-T128 PolarHBondContact O-N 3.14Å; T128-E130 PolarHBondContact O-N 3.18Å |
| 129 | M | 91 | Very high | 82.5 | Confident | 97 Ų | 97 | 57 Ų | 57 | 48% | 0.478 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 116.1 | 174 | -172.4 | -175.7 | 63.4 | 0 | 0 | 109.3 | R118 Y120 | R118-M129 HydrophobicContact CG-SD 4.44Å; Y120-M129 HydrophobicContact CD1-CB 3.9Å; Y120-M129 HydrophobicContact CD1-CG 4.28Å; Y120-M129 HydrophobicContact CE1-CB 3.83Å; Y120-M129 HydrophobicContact CE1-CG 4.03Å |
| 130 | E | 89.5 | Confident | 80.5 | Confident | 17 Ų | 17 | 68.4 Ų | 68.4 | 8% | 0.079 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -52.4 | -176.7 | -70.6 | -73.4 | 141.4 | 0 | 0 | 111.2 | L109 V119 R121 T128 R190 V191 | L109-E130 HydrophobicContact CD2-CG 4.38Å; V119-E130 PolarHBondContact O-N 3.1Å; R121-E130 HydrophobicContact CB-CG 3.58Å; R121-E130 IonicContact CZ-OE1 3.68Å; R121-E130 IonicContact CZ-OE2 3.74Å; R121-E130 IonicContact NE-OE1 3.22Å; R121-E130 PolarHBondContact NE-OE1 3.17Å; R121-E130 IonicContact NE-OE2 3.35Å; R121-E130 VanDerWaalsContact NH2-CD 3.3Å; R121-E130 IonicContact NH2-OE1 2.91Å; R121-E130 IonicContact NH2-OE2 2.68Å; R121-E130 PolarHBondContact NH2-OE2 2.71Å; T128-E130 PolarHBondContact O-N 3.18Å; E130-R190 VanDerWaalsContact OE2-CA 3.25Å; E130-R190 WeakPolarHBondContact OE2-CA 3.33Å; E130-V191 HydrophobicContact CB-CB 3.93Å; E130-V191 HydrophobicContact CB-CG2 3.93Å; E130-V191 HydrophobicContact CG-CB 4.5Å; E130-V191 HydrophobicContact CG-CG2 3.96Å; E130-V191 WeakPolarHBondContact OE2-CG2 3.33Å; E130-V191 PolarHBondContact OE2-N 3.14Å |
| 131 | C | 87.5 | Confident | 78.4 | Confident | 15 Ų | 15 | 74.2 Ų | 74.2 | 10% | 0.101 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 147.2 | 179 | 61.1 | 0 | 0 | 0 | 0 | 113.1 | V119 L133 V191 | V119-C131 PolarHBondContact N-O 2.86Å; V119-C131 PolarHBondContact O-N 3.17Å; C131-L133 HydrophobicContact CB-CD1 4.45Å; C131-L133 VanDerWaalsContact SG-CD1 3.6Å; C131-V191 WeakPolarHBondContact CB-O 3.41Å |
| 132 | L | 90 | Very high | 76.6 | Confident | 69 Ų | 69 | 75.3 Ų | 75.3 | 36% | 0.361 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 118.7 | 169.8 | 175.8 | 72.2 | 0 | 0 | 0 | 106.8 | Y116 R118 | Y116-L132 HydrophobicContact CD2-CD1 3.94Å; Y116-L132 HydrophobicContact CG-CD1 4Å; R118-L132 HydrophobicContact CG-CD1 3.49Å; R118-L132 VanDerWaalsContact CG-CD1 3.49Å |
| 133 | L | 88.7 | Confident | 74.8 | Confident | 6 Ų | 6 | 81.8 Ų | 81.8 | 3% | 0.031 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 103.3 | -177.9 | -62.5 | 91.6 | 0 | 0 | 0 | 108.4 | L117 V119 C131 W173 L175 A193 | L117-L133 HydrophobicContact CB-CB 4.1Å; L117-L133 HydrophobicContact CB-CD1 4.46Å; L117-L133 HydrophobicContact CD2-CB 4.37Å; L117-L133 HydrophobicContact CD2-CD1 4.08Å; L117-L133 HydrophobicContact CD2-CD2 3.97Å; L117-L133 HydrophobicContact CD2-CG 4.37Å; L117-L133 HydrophobicContact CG-CD1 4.12Å; L117-L133 PolarHBondContact N-O 2.91Å; L117-L133 WeakPolarHBondContact O-CD1 3.34Å; L117-L133 PolarHBondContact O-N 2.88Å; V119-L133 HydrophobicContact CG2-CD1 3.9Å; C131-L133 HydrophobicContact CB-CD1 4.45Å; C131-L133 VanDerWaalsContact SG-CD1 3.6Å; L133-W173 HydrophobicContact CB-CD2 4.03Å; L133-W173 HydrophobicContact CB-CE3 3.77Å; L133-W173 HydrophobicContact CB-CH2 3.91Å; L133-W173 HydrophobicContact CB-CZ2 4.2Å; L133-W173 HydrophobicContact CB-CZ3 3.69Å; L133-W173 HydrophobicContact CD2-CB 3.65Å; L133-W173 HydrophobicContact CD2-CD2 3.52Å; L133-W173 HydrophobicContact CD2-CE3 3.4Å; L133-W173 VanDerWaalsContact CD2-CE3 3.4Å; L133-W173 HydrophobicContact CD2-CG 3.66Å; L133-W173 HydrophobicContact CD2-CZ3 4.17Å; L133-W173 HydrophobicContact CG-CD2 4.42Å; L133-W173 HydrophobicContact CG-CE3 4.11Å; L133-W173 HydrophobicContact CG-CZ3 4.41Å; L133-L175 HydrophobicContact CD2-CD2 4.13Å; L133-A193 HydrophobicContact CD1-CB 4.41Å; L133-A193 HydrophobicContact CD2-CB 3.29Å; L133-A193 HydrophobicContact CG-CB 3.78Å |
| 134 | N | 81.3 | Confident | 73.3 | Confident | 41 Ų | 41 | 87.3 Ų | 87.3 | 22% | 0.219 | 46% | 0.457 | C | S | . | . | trans | -121.4 | 144.2 | 176.8 | 62 | 37.7 | 0 | 0 | 0 | 110.4 | Y116 L136 | Y116-N134 HydrophobicContact CD1-CB 3.48Å; Y116-N134 VanDerWaalsContact CD1-CB 3.48Å; Y116-N134 HydrophobicContact CE1-CB 3.51Å; Y116-N134 HydrophobicContact CG-CB 4.21Å; N134-L136 HydrophobicContact CB-CD1 4.28Å; N134-L136 HydrophobicContact CB-CG 4.19Å; N134-L136 PolarHBondContact O-N 2.87Å | ||
| 135 | N | 67.7 | Low | 72.8 | Confident | 20 Ų | 20 | 82.7 Ų | 82.7 | 11% | 0.107 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -81.1 | 4.6 | 177.5 | -82.9 | -20.8 | 0 | 0 | 0 | 112.9 | L137 K138 T171 W173 V195 Q198 | N135-L137 PolarHBondContact O-N 3.31Å; N135-L137 VanDerWaalsContact O-N 3.15Å; N135-K138 PolarHBondContact O-N 3.48Å; N135-T171 PolarHBondContact ND2-OG1 2.86Å; N135-W173 WeakPolarHBondContact OD1-CH2 3.26Å; N135-V195 VanDerWaalsContact OD1-CG2 3.22Å; N135-V195 WeakPolarHBondContact OD1-CG2 3.23Å; N135-Q198 PolarHBondContact ND2-NE2 3.46Å |
| 136 | L | 64 | Low | 72.9 | Confident | 50 Ų | 50 | 75.9 Ų | 75.9 | 26% | 0.262 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -61.5 | -25.9 | -176.5 | -63.5 | 175.1 | 0 | 0 | 0 | 112.9 | N134 K138 N139 S142 | N134-L136 HydrophobicContact CB-CD1 4.28Å; N134-L136 HydrophobicContact CB-CG 4.19Å; N134-L136 PolarHBondContact O-N 2.87Å; L136-K138 VanDerWaalsContact C-N 3.27Å; L136-K138 PolarHBondContact O-N 3.37Å; L136-N139 CarbonylContact O-C 3.6Å; L136-N139 PolarHBondContact O-N 2.95Å; L136-S142 VanDerWaalsContact CD2-O 3.25Å; L136-S142 WeakPolarHBondContact CD2-O 3.47Å |
| 137 | L | 51.7 | Low | 73 | Confident | 153 Ų | 153 | 76.8 Ų | 76.8 | 80% | 0.801 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -68 | -23.7 | -179.6 | -68.9 | 174.6 | 0 | 0 | 0 | 113.8 | N135 | N135-L137 PolarHBondContact O-N 3.31Å; N135-L137 VanDerWaalsContact O-N 3.15Å |
| 138 | K | 53.4 | Low | 73.1 | Confident | 126 Ų | 126 | 75.4 Ų | 75.4 | 55% | 0.548 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -34 | 174.4 | -72.2 | -172.8 | 179.6 | 178.2 | 0 | 112.5 | N135 L136 | N135-K138 PolarHBondContact O-N 3.48Å; L136-K138 VanDerWaalsContact C-N 3.27Å; L136-K138 PolarHBondContact O-N 3.37Å |
| 139 | N | 50.8 | Low | 73.3 | Confident | 94 Ų | 94 | 73.8 Ų | 73.8 | 50% | 0.503 | 37% | 0.371 | S | S | . | . | trans | -103.2 | 78.3 | 178.9 | -83.8 | -11.7 | 0 | 0 | 0 | 111.6 | L136 T141 S142 | L136-N139 CarbonylContact O-C 3.6Å; L136-N139 PolarHBondContact O-N 2.95Å; N139-T141 PolarHBondContact O-N 3.36Å; N139-S142 PolarHBondContact O-N 3.33Å | ||
| 140 | R | 52.7 | Low | 73.6 | Confident | 238 Ų | 238 | 69.4 Ų | 69.4 | 90% | 0.898 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -3.9 | 175 | -69.1 | -172.7 | 178.8 | -171.3 | -0.5 | 114.7 | ||
| 141 | T | 50.3 | Low | 74 | Confident | 138 Ų | 138 | 68.6 Ų | 68.6 | 85% | 0.847 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | -4.9 | -173.5 | 53.2 | 0 | 0 | 0 | 0 | 113.9 | N139 | N139-T141 PolarHBondContact O-N 3.36Š|
| 142 | S | 55.3 | Low | 74.5 | Confident | 41 Ų | 41 | 68.4 Ų | 68.4 | 29% | 0.287 | 34% | 0.344 | S | S | . | . | trans | -132.2 | 118.3 | 178.8 | 65 | 0 | 0 | 0 | 0 | 111.2 | L136 N139 Y144 | L136-S142 VanDerWaalsContact CD2-O 3.25Å; L136-S142 WeakPolarHBondContact CD2-O 3.47Å; N139-S142 PolarHBondContact O-N 3.33Å; S142-Y144 PolarHBondContact O-N 2.9Å; S142-Y144 VanDerWaalsContact O-N 3.17Å | ||
| 143 | D | 56.4 | Low | 74.8 | Confident | 163 Ų | 163 | 65.1 Ų | 65.1 | 87% | 0.872 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -71.9 | 1 | 170.5 | -64.5 | -35.8 | 0 | 0 | 0 | 112.7 | ||
| 144 | Y | 60.1 | Low | 75.1 | Confident | 164 Ų | 164 | 64.9 Ų | 64.9 | 64% | 0.643 | 33% | 0.326 | S | S | * | . | trans | -108.5 | 124.2 | -176.2 | -167.7 | -98.1 | 0 | 0 | 0 | 110.9 | S142 A146 | S142-Y144 PolarHBondContact O-N 2.9Å; S142-Y144 VanDerWaalsContact O-N 3.17Å; Y144-A146 HydrophobicContact CE1-CB 4.5Å | ||
| 145 | C | 76.3 | Confident | 75.7 | Confident | 22 Ų | 22 | 64.6 Ų | 64.6 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | trans | -111.1 | 132 | 164.5 | -170.9 | 0 | 0 | 0 | 0 | 107.1 | Y116 | Y116-C145 HydrophobicContact CD1-CB 4.24Å; Y116-C145 HydrophobicContact CE1-CB 3.48Å; Y116-C145 VanDerWaalsContact CE1-CB 3.48Å | ||
| 146 | A | 88.5 | Confident | 76.8 | Confident | 9 Ų | 9 | 66.4 Ų | 66.4 | 7% | 0.074 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 140.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y144 S165 I166 D167 | Y144-A146 HydrophobicContact CE1-CB 4.5Å; A146-S165 WeakPolarHBondContact CB-OG 3.46Å; A146-S165 PolarHBondContact O-OG 3.06Å; A146-I166 HydrophobicContact CB-CG1 3.8Å; A146-D167 HydrophobicContact CB-CB 3.51Å |
| 147 | P | 91.9 | Very high | 78.1 | Confident | 45 Ų | 45 | 65.5 Ų | 65.5 | 29% | 0.292 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 151.2 | 179.3 | 26.1 | -35.8 | 0 | 0 | 0 | 111.6 | S165 I166 | P147-S165 PolarHBondContact O-OG 2.98Å; P147-I166 HydrophobicContact CG-CD1 3.53Å; P147-I166 HydrophobicContact CG-CG1 3.87Å; P147-I166 PolarHBondContact O-N 3.34Å |
| 148 | L | 95.8 | Very high | 80 | Confident | 9 Ų | 9 | 59.9 Ų | 59.9 | 5% | 0.047 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 124.5 | 177.4 | -56.2 | -176.4 | 0 | 0 | 0 | 109.8 | T94 A114 L117 T163 A164 | T94-L148 WeakPolarHBondContact CG2-O 3.41Å; T94-L148 PolarHBondContact OG1-O 2.9Å; A114-L148 WeakPolarHBondContact O-CB 3.49Å; A114-L148 PolarHBondContact O-N 3.32Å; L117-L148 HydrophobicContact CB-CD1 3.67Å; L117-L148 VanDerWaalsContact N-CD1 3.34Å; L148-T163 HydrophobicContact CD1-CG2 3.9Å; L148-A164 CarbonylContact C-O 3.55Å; L148-A164 VanDerWaalsContact CA-O 3.27Å; L148-A164 WeakPolarHBondContact CA-O 3.42Å |
| 149 | T | 96.7 | Very high | 81.8 | Confident | 32 Ų | 32 | 54 Ų | 54 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -32.8 | 179.6 | 46.3 | 0 | 0 | 0 | 0 | 111.8 | A164 I166 V206 Y207 | T149-A164 PolarHBondContact N-O 2.86Å; T149-A164 VanDerWaalsContact OG1-C 3.31Å; T149-A164 WeakPolarHBondContact OG1-CB 3.42Å; T149-A164 PolarHBondContact OG1-O 3.34Å; T149-I166 HydrophobicContact CG2-CG2 3.43Å; T149-I166 VanDerWaalsContact CG2-CG2 3.43Å; T149-V206 WeakPolarHBondContact CB-O 3.27Å; T149-V206 WeakPolarHBondContact CG2-O 3.35Å; T149-V206 PolarHBondContact OG1-O 2.9Å; T149-Y207 WeakPolarHBondContact CB-O 3.29Å; T149-Y207 HydrophobicContact CG2-CD1 4.32Å; T149-Y207 PolarHBondContact OG1-O 2.77Å |
| 150 | S | 97.5 | Very high | 83.8 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 173.2 | 179 | -172.6 | 0 | 0 | 0 | 0 | 110.9 | K95 A164 D208 | K95-S150 WeakPolarHBondContact CD-OG 3.49Å; K95-S150 PolarHBondContact NZ-OG 2.93Å; K95-S150 VanDerWaalsContact NZ-OG 3.15Å; S150-A164 PolarHBondContact O-N 2.87Å; S150-D208 WeakPolarHBondContact CB-OD1 3.21Å; S150-D208 PolarHBondContact OG-OD1 3.45Å |
| 151 | F | 98.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 164.6 | 166.9 | 73.2 | -84.1 | 0 | 0 | 0 | 110.9 | K95 M97 A111 S113 L117 I161 G162 T163 | K95-F151 HydrophobicContact CB-CD1 3.85Å; K95-F151 HydrophobicContact CB-CE1 3.68Å; K95-F151 HydrophobicContact CD-CD1 4.29Å; K95-F151 VanDerWaalsContact CD-O 3.26Å; K95-F151 WeakPolarHBondContact CD-O 3.29Å; K95-F151 WeakPolarHBondContact CE-O 3.25Å; K95-F151 HydrophobicContact CG-CD1 4.28Å; K95-F151 HydrophobicContact CG-CE1 4.06Å; K95-F151 PolarHBondContact NZ-O 3.37Å; K95-F151 WeakPolarHBondContact O-CE1 3.44Å; M97-F151 HydrophobicContact CB-CE2 3.65Å; M97-F151 HydrophobicContact CB-CZ 3.73Å; M97-F151 HydrophobicContact CG-CE2 3.77Å; M97-F151 HydrophobicContact CG-CZ 3.78Å; M97-F151 HydrophobicContact SD-CD2 4.15Å; M97-F151 HydrophobicContact SD-CE2 3.89Å; M97-F151 HydrophobicContact SD-CZ 4.4Å; A111-F151 HydrophobicContact CB-CE2 3.56Å; A111-F151 HydrophobicContact CB-CZ 3.67Å; A111-F151 WeakPolarHBondContact O-CZ 3.43Å; S113-F151 VanDerWaalsContact CB-CD1 3.49Å; S113-F151 VanDerWaalsContact OG-CD1 3.31Å; S113-F151 WeakPolarHBondContact OG-CD1 3.43Å; L117-F151 HydrophobicContact CD1-CB 4.45Å; L117-F151 HydrophobicContact CD1-CD1 4.14Å; L117-F151 HydrophobicContact CD1-CD2 4.11Å; L117-F151 HydrophobicContact CD1-CE1 4.35Å; L117-F151 HydrophobicContact CD1-CE2 4.33Å; L117-F151 HydrophobicContact CD1-CG 3.99Å; L117-F151 HydrophobicContact CD1-CZ 4.45Å; F151-I161 HydrophobicContact CB-CG2 4.28Å; F151-I161 HydrophobicContact CD2-CG2 3.76Å; F151-I161 HydrophobicContact CG-CG2 4.42Å; F151-G162 CarbonylContact C-O 3.02Å; F151-G162 WeakPolarHBondContact CA-O 3.29Å; F151-G162 WeakPolarHBondContact CB-O 3.3Å; F151-T163 HydrophobicContact CB-CG2 3.83Å |
| 152 | D | 97.9 | Very high | 88.1 | Confident | 11 Ų | 11 | 31.6 Ų | 31.6 | 6% | 0.059 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 147.2 | 168.6 | -164.8 | 19.4 | 0 | 0 | 0 | 110.4 | M97 I161 G162 F209 A210 F211 K260 | M97-D152 VanDerWaalsContact CE-OD1 3.28Å; M97-D152 WeakPolarHBondContact CE-OD1 3.44Å; D152-I161 WeakPolarHBondContact O-CA 3.32Å; D152-G162 PolarHBondContact N-O 3.47Å; D152-G162 PolarHBondContact O-N 3.17Å; D152-F209 HydrophobicContact CB-CD1 3.77Å; D152-F209 HydrophobicContact CB-CE1 4.19Å; D152-A210 WeakPolarHBondContact OD2-CA 3.47Å; D152-F211 HydrophobicContact CB-CD2 4.06Å; D152-F211 WeakPolarHBondContact O-CE2 3.27Å; D152-F211 PolarHBondContact OD2-N 3.36Å; D152-K260 IonicContact OD2-NZ 3.24Å |
| 153 | W | 96.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 129.3 | 174.8 | -150.2 | -50 | 0 | 0 | 0 | 108.8 | M97 I99 P100 L109 A111 V119 E155 V158 I161 L175 | M97-W153 HydrophobicContact CE-CB 4.13Å; I99-W153 HydrophobicContact CB-CH2 3.93Å; I99-W153 HydrophobicContact CB-CZ2 4.01Å; I99-W153 HydrophobicContact CB-CZ3 4.24Å; I99-W153 HydrophobicContact CD1-CZ2 4.07Å; I99-W153 HydrophobicContact CG1-CH2 4.24Å; I99-W153 HydrophobicContact CG1-CZ2 3.79Å; P100-W153 VanDerWaalsContact CD-CD1 3.45Å; P100-W153 HydrophobicContact CG-CB 3.96Å; P100-W153 HydrophobicContact CG-CG 3.82Å; L109-W153 HydrophobicContact CB-CH2 4.07Å; L109-W153 HydrophobicContact CD1-CH2 4.37Å; A111-W153 HydrophobicContact CB-CE3 3.89Å; A111-W153 HydrophobicContact CB-CH2 4.45Å; A111-W153 HydrophobicContact CB-CZ3 3.46Å; A111-W153 VanDerWaalsContact CB-CZ3 3.46Å; V119-W153 HydrophobicContact CG1-CH2 4.45Å; W153-E155 PolarHBondContact O-N 3.39Å; W153-V158 PolarHBondContact NE1-O 3.19Å; W153-I161 HydrophobicContact CD2-CD1 3.75Å; W153-I161 HydrophobicContact CD2-CG1 3.67Å; W153-I161 HydrophobicContact CE3-CD1 3.72Å; W153-I161 HydrophobicContact CE3-CG1 4.13Å; W153-I161 HydrophobicContact CG-CD1 4.48Å; W153-I161 HydrophobicContact CG-CG1 3.9Å; W153-I161 HydrophobicContact CH2-CD1 3.88Å; W153-I161 HydrophobicContact CZ2-CD1 3.92Å; W153-I161 HydrophobicContact CZ2-CG1 4.31Å; W153-I161 HydrophobicContact CZ3-CD1 3.8Å; W153-L175 HydrophobicContact CH2-CD1 3.89Å; W153-L175 HydrophobicContact CZ2-CD1 3.35Å |
| 154 | N | 95 | Very high | 92.1 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | trans | -72.2 | 106.7 | -179.8 | -169.6 | -23.7 | 0 | 0 | 0 | 110.4 | N156 D157 V158 I160 F211 R218 | N154-N156 PolarHBondContact O-N 3.17Å; N154-N156 WeakPolarHBondContact OD1-CA 3.42Å; N154-N156 WeakPolarHBondContact OD1-CB 3.49Å; N154-N156 PolarHBondContact OD1-N 3.34Å; N154-D157 CarbonylContact O-C 3.6Å; N154-D157 PolarHBondContact O-N 2.93Å; N154-D157 VanDerWaalsContact O-N 3.13Å; N154-D157 PolarHBondContact OD1-N 3.17Å; N154-V158 PolarHBondContact O-N 3.36Å; N154-I160 HydrophobicContact CB-CB 3.93Å; N154-I160 HydrophobicContact CB-CG2 4.18Å; N154-I160 WeakPolarHBondContact CB-O 3.38Å; N154-I160 PolarHBondContact N-O 2.69Å; N154-F211 HydrophobicContact CB-CD1 4.24Å; N154-F211 HydrophobicContact CB-CD2 3.67Å; N154-F211 HydrophobicContact CB-CE1 4.38Å; N154-F211 HydrophobicContact CB-CE2 3.78Å; N154-F211 HydrophobicContact CB-CG 3.92Å; N154-F211 HydrophobicContact CB-CZ 4.17Å; N154-R218 PolarHBondContact ND2-O 3Å | ||
| 155 | E | 92.5 | Very high | 93.9 | Very high | 36 Ų | 36 | 14.3 Ų | 14.3 | 17% | 0.168 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.1 | 178.2 | -64.8 | 179.1 | -118.8 | 0 | 0 | 113.2 | P100 W153 K213 K260 | P100-E155 HydrophobicContact CB-CB 4.49Å; P100-E155 HydrophobicContact CB-CG 3.84Å; P100-E155 HydrophobicContact CG-CG 4.2Å; W153-E155 PolarHBondContact O-N 3.39Å; E155-K213 HydrophobicContact CB-CG 4.38Å; E155-K213 VanDerWaalsContact OE2-CD 3.24Å; E155-K213 WeakPolarHBondContact OE2-CD 3.16Å; E155-K213 WeakPolarHBondContact OE2-CE 3.24Å; E155-K213 IonicContact OE2-NZ 2.95Å; E155-K213 PolarHBondContact OE2-NZ 3.04Å; E155-K260 WeakPolarHBondContact OE1-CD 3.44Å; E155-K260 WeakPolarHBondContact OE1-CE 3.46Å; E155-K260 IonicContact OE1-NZ 3.97Å; E155-K260 PolarHBondContact OE1-NZ 3.06Å; E155-K260 VanDerWaalsContact OE1-NZ 3.17Å |
| 156 | N | 91.4 | Very high | 94.8 | Very high | 57 Ų | 57 | 16.4 Ų | 16.4 | 31% | 0.305 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -21.5 | 176.1 | -69.5 | -54.4 | 0 | 0 | 0 | 113.1 | N154 S212 K213 S214 R218 | N154-N156 PolarHBondContact O-N 3.17Å; N154-N156 WeakPolarHBondContact OD1-CA 3.42Å; N154-N156 WeakPolarHBondContact OD1-CB 3.49Å; N154-N156 PolarHBondContact OD1-N 3.34Å; N156-S212 PolarHBondContact ND2-O 3.4Å; N156-S212 VanDerWaalsContact ND2-O 3.1Å; N156-K213 VanDerWaalsContact ND2-C 3.3Å; N156-K213 PolarHBondContact ND2-O 3.13Å; N156-K213 PolarHBondContact OD1-O 2.73Å; N156-S214 PolarHBondContact ND2-O 3.05Å; N156-R218 HydrophobicContact CB-CB 3.78Å |
| 157 | D | 91.1 | Very high | 95.1 | Very high | 32 Ų | 32 | 18.8 Ų | 18.8 | 17% | 0.171 | 10% | 0.104 | C | C | . | . | trans | -146.2 | 92.6 | 176.1 | -174.1 | -13.3 | 0 | 0 | 0 | 109 | N154 G159 I160 R174 R218 | N154-D157 CarbonylContact O-C 3.6Å; N154-D157 PolarHBondContact O-N 2.93Å; N154-D157 VanDerWaalsContact O-N 3.13Å; N154-D157 PolarHBondContact OD1-N 3.17Å; D157-G159 PolarHBondContact O-N 2.98Å; D157-G159 PolarHBondContact OD1-N 3.1Å; D157-G159 VanDerWaalsContact OD1-N 3.11Å; D157-I160 HydrophobicContact CB-CD1 4.08Å; D157-I160 HydrophobicContact CB-CG1 4.28Å; D157-I160 PolarHBondContact O-N 3.27Å; D157-I160 WeakPolarHBondContact OD2-CD1 3.31Å; D157-R174 IonicContact OD2-NH1 3.57Å; D157-R218 IonicContact OD2-NH2 3.71Å; D157-R218 PolarHBondContact OD2-NH2 3.44Å | ||
| 158 | V | 91.3 | Very high | 95.2 | Very high | 34 Ų | 34 | 18.4 Ų | 18.4 | 21% | 0.206 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -5.5 | -178.4 | -56.9 | 0 | 0 | 0 | 0 | 113.9 | I99 P100 W153 N154 I160 I181 | I99-V158 HydrophobicContact CD1-CB 4.4Å; I99-V158 HydrophobicContact CG1-CB 4.38Å; P100-V158 HydrophobicContact CG-CG1 4.22Å; W153-V158 PolarHBondContact NE1-O 3.19Å; N154-V158 PolarHBondContact O-N 3.36Å; V158-I160 VanDerWaalsContact C-N 3.35Å; V158-I181 HydrophobicContact CG2-CB 4.12Å; V158-I181 HydrophobicContact CG2-CG2 3.74Å |
| 159 | G | 91 | Very high | 95.2 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 4.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115 | D157 R174 L175 | D157-G159 PolarHBondContact O-N 2.98Å; D157-G159 PolarHBondContact OD1-N 3.1Å; D157-G159 VanDerWaalsContact OD1-N 3.11Å; G159-R174 CarbonylContact O-C 3.58Å; G159-R174 VanDerWaalsContact O-CA 3.3Å; G159-R174 WeakPolarHBondContact O-CA 3.45Å; G159-L175 PolarHBondContact O-N 3.09Å |
| 160 | I | 93.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.5 | -176.9 | -60.8 | 179.9 | 0 | 0 | 0 | 110.7 | N154 D157 V158 I172 W173 F211 | N154-I160 HydrophobicContact CB-CB 3.93Å; N154-I160 HydrophobicContact CB-CG2 4.18Å; N154-I160 WeakPolarHBondContact CB-O 3.38Å; N154-I160 PolarHBondContact N-O 2.69Å; D157-I160 HydrophobicContact CB-CD1 4.08Å; D157-I160 HydrophobicContact CB-CG1 4.28Å; D157-I160 PolarHBondContact O-N 3.27Å; D157-I160 WeakPolarHBondContact OD2-CD1 3.31Å; V158-I160 VanDerWaalsContact C-N 3.35Å; I160-I172 HydrophobicContact CG2-CG2 3.69Å; I160-W173 WeakPolarHBondContact CA-O 3.41Å; I160-F211 HydrophobicContact CG2-CE1 4.44Å; I160-F211 HydrophobicContact CG2-CE2 4.31Å; I160-F211 HydrophobicContact CG2-CZ 3.74Å |
| 161 | I | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136.6 | 170 | -61.3 | 176.9 | 0 | 0 | 0 | 108.3 | A111 L117 V119 F151 D152 W153 T163 W173 L175 | A111-I161 HydrophobicContact CB-CD1 4.22Å; L117-I161 HydrophobicContact CD1-CG2 4.37Å; L117-I161 HydrophobicContact CD2-CB 4.22Å; L117-I161 HydrophobicContact CD2-CD1 4.24Å; L117-I161 HydrophobicContact CD2-CG2 3.67Å; V119-I161 HydrophobicContact CG2-CD1 4.42Å; F151-I161 HydrophobicContact CB-CG2 4.28Å; F151-I161 HydrophobicContact CD2-CG2 3.76Å; F151-I161 HydrophobicContact CG-CG2 4.42Å; D152-I161 WeakPolarHBondContact O-CA 3.32Å; W153-I161 HydrophobicContact CD2-CD1 3.75Å; W153-I161 HydrophobicContact CD2-CG1 3.67Å; W153-I161 HydrophobicContact CE3-CD1 3.72Å; W153-I161 HydrophobicContact CE3-CG1 4.13Å; W153-I161 HydrophobicContact CG-CD1 4.48Å; W153-I161 HydrophobicContact CG-CG1 3.9Å; W153-I161 HydrophobicContact CH2-CD1 3.88Å; W153-I161 HydrophobicContact CZ2-CD1 3.92Å; W153-I161 HydrophobicContact CZ2-CG1 4.31Å; W153-I161 HydrophobicContact CZ3-CD1 3.8Å; I161-T163 HydrophobicContact CG2-CG2 4.42Å; I161-W173 HydrophobicContact CB-CB 4.48Å; I161-W173 PolarHBondContact N-O 2.77Å; I161-W173 VanDerWaalsContact N-O 3.08Å; I161-W173 PolarHBondContact O-N 2.87Å; I161-L175 HydrophobicContact CD1-CD1 3.86Å; I161-L175 HydrophobicContact CD1-CD2 4.42Å; I161-L175 HydrophobicContact CD1-CG 4.35Å; I161-L175 HydrophobicContact CG1-CD1 4.34Å |
| 162 | G | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 136.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | F151 D152 T171 | F151-G162 CarbonylContact C-O 3.02Å; F151-G162 WeakPolarHBondContact CA-O 3.29Å; F151-G162 WeakPolarHBondContact CB-O 3.3Å; D152-G162 PolarHBondContact N-O 3.47Å; D152-G162 PolarHBondContact O-N 3.17Å; G162-T171 CarbonylContact C-O 3.53Å; G162-T171 WeakPolarHBondContact CA-O 3.19Å |
| 163 | T | 97.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 141.6 | -178.9 | 59.6 | 0 | 0 | 0 | 0 | 110.8 | L117 L148 F151 I161 C170 T171 W173 | L117-T163 HydrophobicContact CB-CG2 4.2Å; L117-T163 HydrophobicContact CD1-CG2 4.29Å; L117-T163 HydrophobicContact CD2-CG2 3.82Å; L117-T163 HydrophobicContact CG-CG2 4.34Å; L148-T163 HydrophobicContact CD1-CG2 3.9Å; F151-T163 HydrophobicContact CB-CG2 3.83Å; I161-T163 HydrophobicContact CG2-CG2 4.42Å; T163-C170 CarbonylContact O-C 3.54Å; T163-C170 VanDerWaalsContact O-CA 3.24Å; T163-C170 WeakPolarHBondContact O-CA 3.24Å; T163-T171 PolarHBondContact N-O 3.06Å; T163-T171 PolarHBondContact O-N 2.68Å; T163-T171 WeakPolarHBondContact OG1-CB 3.14Å; T163-T171 PolarHBondContact OG1-O 2.86Å; T163-W173 VanDerWaalsContact CG2-NE1 3.33Å; T163-W173 PolarHBondContact OG1-NE1 2.88Å; T163-W173 VanDerWaalsContact OG1-NE1 3.08Å |
| 164 | A | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 146.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L148 T149 S150 V206 F209 | L148-A164 CarbonylContact C-O 3.55Å; L148-A164 VanDerWaalsContact CA-O 3.27Å; L148-A164 WeakPolarHBondContact CA-O 3.42Å; T149-A164 PolarHBondContact N-O 2.86Å; T149-A164 VanDerWaalsContact OG1-C 3.31Å; T149-A164 WeakPolarHBondContact OG1-CB 3.42Å; T149-A164 PolarHBondContact OG1-O 3.34Å; S150-A164 PolarHBondContact O-N 2.87Å; A164-V206 HydrophobicContact CB-CB 3.96Å; A164-V206 HydrophobicContact CB-CG1 3.6Å; A164-F209 HydrophobicContact CB-CB 4.07Å |
| 165 | S | 96.8 | Very high | 94.4 | Very high | 4 Ų | 4 | 21.2 Ų | 21.2 | 3% | 0.028 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 156.5 | 179.5 | -174.6 | 0 | 0 | 0 | 0 | 112.3 | A146 P147 D167 T168 T169 V206 | A146-S165 WeakPolarHBondContact CB-OG 3.46Å; A146-S165 PolarHBondContact O-OG 3.06Å; P147-S165 PolarHBondContact O-OG 2.98Å; S165-D167 VanDerWaalsContact CB-OD1 3.3Å; S165-D167 WeakPolarHBondContact CB-OD1 3.46Å; S165-D167 PolarHBondContact O-N 2.82Å; S165-D167 PolarHBondContact OG-N 3.31Å; S165-D167 PolarHBondContact OG-OD1 2.69Å; S165-T168 PolarHBondContact O-N 3.12Å; S165-T169 PolarHBondContact N-O 3.01Å; S165-V206 WeakPolarHBondContact O-CB 3.08Å; S165-V206 PolarHBondContact O-N 3.2Å; S165-V206 VanDerWaalsContact O-N 3.08Å |
| 166 | I | 95.5 | Very high | 93.9 | Very high | 66 Ų | 66 | 24 Ų | 24 | 34% | 0.338 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -17 | 173.4 | 67.8 | 167.4 | 0 | 0 | 0 | 112.7 | A146 P147 T149 T168 E205 | A146-I166 HydrophobicContact CB-CG1 3.8Å; P147-I166 HydrophobicContact CG-CD1 3.53Å; P147-I166 HydrophobicContact CG-CG1 3.87Å; P147-I166 PolarHBondContact O-N 3.34Å; T149-I166 HydrophobicContact CG2-CG2 3.43Å; T149-I166 VanDerWaalsContact CG2-CG2 3.43Å; I166-T168 PolarHBondContact O-N 2.76Å; I166-E205 HydrophobicContact CB-CB 4.4Å; I166-E205 HydrophobicContact CB-CG 3.95Å; I166-E205 HydrophobicContact CG2-CG 4.43Å; I166-E205 WeakPolarHBondContact O-CG 3.17Å |
| 167 | D | 93.9 | Very high | 92.6 | Very high | 58 Ų | 58 | 22 Ų | 22 | 31% | 0.31 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 20 | 177 | 69.4 | 4.8 | 0 | 0 | 0 | 114.5 | A146 S165 T169 | A146-D167 HydrophobicContact CB-CB 3.51Å; S165-D167 VanDerWaalsContact CB-OD1 3.3Å; S165-D167 WeakPolarHBondContact CB-OD1 3.46Å; S165-D167 PolarHBondContact O-N 2.82Å; S165-D167 PolarHBondContact OG-N 3.31Å; S165-D167 PolarHBondContact OG-OD1 2.69Å; D167-T169 PolarHBondContact O-N 2.67Å; D167-T169 VanDerWaalsContact OD1-CB 3.28Å; D167-T169 WeakPolarHBondContact OD1-CB 3.28Å; D167-T169 WeakPolarHBondContact OD1-CG2 3.45Å; D167-T169 PolarHBondContact OD1-N 2.83Å; D167-T169 PolarHBondContact OD1-OG1 3.23Å; D167-T169 PolarHBondContact OD2-OG1 3.1Å |
| 168 | T | 95.8 | Very high | 90.7 | Very high | 37 Ų | 37 | 24.1 Ų | 24.1 | 23% | 0.227 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 71.6 | 0.6 | -177.7 | 79.5 | 0 | 0 | 0 | 0 | 115.2 | S165 I166 A201 H202 K204 V206 | S165-T168 PolarHBondContact O-N 3.12Å; I166-T168 PolarHBondContact O-N 2.76Å; T168-A201 PolarHBondContact O-N 3.17Å; T168-H202 WeakPolarHBondContact CB-O 3.08Å; T168-H202 PolarHBondContact O-N 3.4Å; T168-K204 WeakPolarHBondContact CA-O 3.26Å; T168-K204 WeakPolarHBondContact CB-O 3.22Å; T168-K204 WeakPolarHBondContact CG2-O 3.3Å; T168-V206 WeakPolarHBondContact O-CG2 3.49Å |
| 169 | T | 95.7 | Very high | 88.8 | Confident | 13 Ų | 13 | 27.8 Ų | 27.8 | 8% | 0.08 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 151.3 | -174.2 | 74.7 | 0 | 0 | 0 | 0 | 114.5 | S165 D167 Q198 L199 I200 | S165-T169 PolarHBondContact N-O 3.01Å; D167-T169 PolarHBondContact O-N 2.67Å; D167-T169 VanDerWaalsContact OD1-CB 3.28Å; D167-T169 WeakPolarHBondContact OD1-CB 3.28Å; D167-T169 WeakPolarHBondContact OD1-CG2 3.45Å; D167-T169 PolarHBondContact OD1-N 2.83Å; D167-T169 PolarHBondContact OD1-OG1 3.23Å; D167-T169 PolarHBondContact OD2-OG1 3.1Å; T169-Q198 HydrophobicContact CG2-CG 4.45Å; T169-Q198 PolarHBondContact OG1-NE2 2.94Å; T169-Q198 VanDerWaalsContact OG1-NE2 3.1Å; T169-L199 CarbonylContact C-O 3.23Å; T169-L199 WeakPolarHBondContact CA-O 3.16Å; T169-L199 WeakPolarHBondContact CB-O 3.48Å; T169-I200 HydrophobicContact CG2-CG1 4.33Å |
| 170 | C | 96.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 134 | 157.5 | -68 | 0 | 0 | 0 | 0 | 109.5 | T163 Q198 L199 A201 F209 F221 | T163-C170 CarbonylContact O-C 3.54Å; T163-C170 VanDerWaalsContact O-CA 3.24Å; T163-C170 WeakPolarHBondContact O-CA 3.24Å; C170-Q198 WeakPolarHBondContact O-CA 3.44Å; C170-L199 HydrophobicContact CB-CD2 4.49Å; C170-L199 HydrophobicContact CB-CG 4.3Å; C170-L199 PolarHBondContact N-O 2.87Å; C170-L199 PolarHBondContact O-N 3.22Å; C170-A201 HydrophobicContact CB-CB 4.12Å; C170-A201 WeakPolarHBondContact SG-CB 3.44Å; C170-F209 HydrophobicContact CB-CD2 4.25Å; C170-F209 HydrophobicContact CB-CE2 4.2Å; C170-F221 HydrophobicContact CB-CE2 4.47Å |
| 171 | T | 95.6 | Very high | 84.9 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.5 | 175.5 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | N135 G162 T163 W173 V195 Q198 | N135-T171 PolarHBondContact ND2-OG1 2.86Å; G162-T171 CarbonylContact C-O 3.53Å; G162-T171 WeakPolarHBondContact CA-O 3.19Å; T163-T171 PolarHBondContact N-O 3.06Å; T163-T171 PolarHBondContact O-N 2.68Å; T163-T171 WeakPolarHBondContact OG1-CB 3.14Å; T163-T171 PolarHBondContact OG1-O 2.86Å; T171-W173 HydrophobicContact CG2-CD2 4Å; T171-W173 VanDerWaalsContact CG2-CE2 3.44Å; T171-W173 HydrophobicContact CG2-CG 4.48Å; T171-W173 HydrophobicContact CG2-CH2 4.27Å; T171-W173 HydrophobicContact CG2-CZ2 3.61Å; T171-V195 HydrophobicContact CG2-CG1 3.85Å; T171-V195 HydrophobicContact CG2-CG2 4.21Å; T171-Q198 HydrophobicContact CG2-CB 4.33Å; T171-Q198 WeakPolarHBondContact OG1-CG 3.21Å |
| 172 | I | 95.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 119.5 | 176.6 | -49.9 | -66.6 | 0 | 0 | 0 | 107.9 | I160 K196 T197 F209 F211 F221 L235 | I160-I172 HydrophobicContact CG2-CG2 3.69Å; I172-K196 HydrophobicContact CG2-CB 4.33Å; I172-K196 HydrophobicContact CG2-CD 4.22Å; I172-K196 WeakPolarHBondContact O-CA 3.47Å; I172-K196 WeakPolarHBondContact O-CB 3.37Å; I172-K196 PolarHBondContact O-N 2.9Å; I172-T197 HydrophobicContact CB-CG2 3.62Å; I172-T197 HydrophobicContact CG1-CG2 3.54Å; I172-T197 PolarHBondContact N-O 3.4Å; I172-T197 PolarHBondContact O-N 3.47Å; I172-F209 HydrophobicContact CD1-CE2 3.98Å; I172-F209 HydrophobicContact CD1-CZ 3.74Å; I172-F211 HydrophobicContact CD1-CZ 4.15Å; I172-F221 HydrophobicContact CD1-CD1 4.42Å; I172-F221 HydrophobicContact CD1-CE1 4.18Å; I172-F221 HydrophobicContact CD1-CZ 4.43Å; I172-L235 HydrophobicContact CB-CD2 4.38Å; I172-L235 HydrophobicContact CD1-CD2 3.97Å; I172-L235 HydrophobicContact CG1-CD2 3.61Å; I172-L235 HydrophobicContact CG2-CD1 4.44Å; I172-L235 HydrophobicContact CG2-CD2 4.21Å |
| 173 | W | 94.3 | Very high | 80.3 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 3% | 0.034 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 139.2 | -178 | -55.2 | 91.2 | 0 | 0 | 0 | 109.5 | L117 L133 N135 I160 I161 T163 T171 V195 | L117-W173 HydrophobicContact CD2-CG 4.25Å; L133-W173 HydrophobicContact CB-CD2 4.03Å; L133-W173 HydrophobicContact CB-CE3 3.77Å; L133-W173 HydrophobicContact CB-CH2 3.91Å; L133-W173 HydrophobicContact CB-CZ2 4.2Å; L133-W173 HydrophobicContact CB-CZ3 3.69Å; L133-W173 HydrophobicContact CD2-CB 3.65Å; L133-W173 HydrophobicContact CD2-CD2 3.52Å; L133-W173 HydrophobicContact CD2-CE3 3.4Å; L133-W173 VanDerWaalsContact CD2-CE3 3.4Å; L133-W173 HydrophobicContact CD2-CG 3.66Å; L133-W173 HydrophobicContact CD2-CZ3 4.17Å; L133-W173 HydrophobicContact CG-CD2 4.42Å; L133-W173 HydrophobicContact CG-CE3 4.11Å; L133-W173 HydrophobicContact CG-CZ3 4.41Å; N135-W173 WeakPolarHBondContact OD1-CH2 3.26Å; I160-W173 WeakPolarHBondContact CA-O 3.41Å; I161-W173 HydrophobicContact CB-CB 4.48Å; I161-W173 PolarHBondContact N-O 2.77Å; I161-W173 VanDerWaalsContact N-O 3.08Å; I161-W173 PolarHBondContact O-N 2.87Å; T163-W173 VanDerWaalsContact CG2-NE1 3.33Å; T163-W173 PolarHBondContact OG1-NE1 2.88Å; T163-W173 VanDerWaalsContact OG1-NE1 3.08Å; T171-W173 HydrophobicContact CG2-CD2 4Å; T171-W173 VanDerWaalsContact CG2-CE2 3.44Å; T171-W173 HydrophobicContact CG2-CG 4.48Å; T171-W173 HydrophobicContact CG2-CH2 4.27Å; T171-W173 HydrophobicContact CG2-CZ2 3.61Å; W173-V195 HydrophobicContact CE3-CG2 3.75Å; W173-V195 HydrophobicContact CH2-CG2 3.75Å; W173-V195 HydrophobicContact CZ3-CB 4.48Å; W173-V195 HydrophobicContact CZ3-CG2 3.3Å |
| 174 | R | 92.1 | Very high | 78 | Confident | 89 Ų | 89 | 43.2 Ų | 43.2 | 34% | 0.336 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121.3 | 167.6 | -174.4 | 166.6 | -172.8 | 82.5 | -1.9 | 108.9 | D157 G159 A193 H194 K196 | D157-R174 IonicContact OD2-NH1 3.57Å; G159-R174 CarbonylContact O-C 3.58Å; G159-R174 VanDerWaalsContact O-CA 3.3Å; G159-R174 WeakPolarHBondContact O-CA 3.45Å; R174-A193 CarbonylContact O-C 3.37Å; R174-A193 WeakPolarHBondContact O-CA 3.46Å; R174-H194 PolarHBondContact N-O 3.02Å; R174-H194 PolarHBondContact O-N 2.93Å; R174-K196 HydrophobicContact CB-CB 4.34Å |
| 175 | L | 90.5 | Very high | 75.4 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 127.2 | 169.7 | -54.9 | -175.9 | 0 | 0 | 0 | 108.6 | V119 L133 W153 G159 I161 I181 V191 A193 | V119-L175 HydrophobicContact CG2-CD2 4.35Å; L133-L175 HydrophobicContact CD2-CD2 4.13Å; W153-L175 HydrophobicContact CH2-CD1 3.89Å; W153-L175 HydrophobicContact CZ2-CD1 3.35Å; G159-L175 PolarHBondContact O-N 3.09Å; I161-L175 HydrophobicContact CD1-CD1 3.86Å; I161-L175 HydrophobicContact CD1-CD2 4.42Å; I161-L175 HydrophobicContact CD1-CG 4.35Å; I161-L175 HydrophobicContact CG1-CD1 4.34Å; L175-I181 HydrophobicContact CB-CD1 4.06Å; L175-V191 HydrophobicContact CB-CG1 4.18Å; L175-V191 HydrophobicContact CD2-CG1 4.49Å; L175-A193 HydrophobicContact CD2-CB 3.57Å |
| 176 | E | 81.2 | Confident | 73.3 | Confident | 93 Ų | 93 | 51 Ų | 51 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 100.3 | 171.8 | -67.8 | -174.2 | 152.6 | 0 | 0 | 107.6 | S192 H194 | E176-S192 CarbonylContact C-O 3.42Å; E176-S192 PolarHBondContact N-O 2.84Å; E176-S192 PolarHBondContact O-N 2.92Å; E176-S192 PolarHBondContact O-OG 2.95Å; E176-H194 IonicContact OE1-CE1 3.19Å; E176-H194 PolarHBondContact OE1-CE1 3.43Å; E176-H194 IonicContact OE1-ND1 3.75Å; E176-H194 IonicContact OE2-CE1 3.83Å; E176-H194 IonicContact OE2-ND1 3.56Å |
| 177 | T | 64.5 | Low | 71 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 9% | 0.092 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 138.8 | 158.4 | 47.3 | 0 | 0 | 0 | 0 | 106.8 | Q179 I181 V184 V191 | T177-Q179 CarbonylContact C-O 3.35Å; T177-Q179 VanDerWaalsContact CB-O 3.23Å; T177-Q179 WeakPolarHBondContact CB-O 3.41Å; T177-Q179 CarbonylContact O-C 3.5Å; T177-Q179 PolarHBondContact O-N 2.98Å; T177-Q179 PolarHBondContact OG1-O 2.78Å; T177-I181 HydrophobicContact CG2-CG1 3.81Å; T177-I181 VanDerWaalsContact OG1-CA 3.28Å; T177-I181 WeakPolarHBondContact OG1-CA 3.41Å; T177-I181 WeakPolarHBondContact OG1-CG1 3.35Å; T177-I181 PolarHBondContact OG1-N 2.88Å; T177-V184 HydrophobicContact CG2-CG2 3.9Å; T177-V191 HydrophobicContact CG2-CB 4.18Å; T177-V191 HydrophobicContact CG2-CG1 3.89Å; T177-V191 HydrophobicContact CG2-CG2 3.77Å |
| 178 | G | 51 | Low | 69.1 | Low | 78 Ų | 78 | 53.9 Ų | 53.9 | 80% | 0.804 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -57.6 | -1.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 179 | Q | 50.5 | Low | 67.3 | Low | 111 Ų | 111 | 53.9 Ų | 53.9 | 52% | 0.519 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -135.9 | 151.4 | 167.3 | -66.9 | 177.5 | -25.6 | 0 | 0 | 107.3 | T177 I181 Q183 | T177-Q179 CarbonylContact C-O 3.35Å; T177-Q179 VanDerWaalsContact CB-O 3.23Å; T177-Q179 WeakPolarHBondContact CB-O 3.41Å; T177-Q179 CarbonylContact O-C 3.5Å; T177-Q179 PolarHBondContact O-N 2.98Å; T177-Q179 PolarHBondContact OG1-O 2.78Å; Q179-I181 PolarHBondContact O-N 2.91Å; Q179-Q183 PolarHBondContact OE1-O 3.13Å |
| 180 | I | 50.9 | Low | 66.1 | Low | 128 Ų | 128 | 62.2 Ų | 62.2 | 66% | 0.656 | 36% | 0.358 | S | S | * | . | trans | -44.6 | 130.3 | 176.6 | -63.1 | 163.2 | 0 | 0 | 0 | 109.4 | G182 Q183 V184 | I180-G182 PolarHBondContact O-N 3.13Å; I180-Q183 WeakPolarHBondContact O-CA 3.33Å; I180-Q183 PolarHBondContact O-N 3.37Å; I180-V184 PolarHBondContact O-N 2.77Å | ||
| 181 | I | 53.7 | Low | 65.1 | Low | 16 Ų | 16 | 62.4 Ų | 62.4 | 8% | 0.082 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -50.9 | -31.3 | -168.8 | -65.7 | 166.4 | 0 | 0 | 0 | 113.2 | I99 C106 V158 L175 T177 Q179 Q183 V184 | I99-I181 HydrophobicContact CD1-CG2 3.94Å; C106-I181 WeakPolarHBondContact CA-O 3.26Å; C106-I181 HydrophobicContact CB-CG2 4.02Å; C106-I181 WeakPolarHBondContact CB-O 3.34Å; C106-I181 PolarHBondContact SG-O 2.85Å; C106-I181 VanDerWaalsContact SG-O 3.42Å; V158-I181 HydrophobicContact CG2-CB 4.12Å; V158-I181 HydrophobicContact CG2-CG2 3.74Å; L175-I181 HydrophobicContact CB-CD1 4.06Å; T177-I181 HydrophobicContact CG2-CG1 3.81Å; T177-I181 VanDerWaalsContact OG1-CA 3.28Å; T177-I181 WeakPolarHBondContact OG1-CA 3.41Å; T177-I181 WeakPolarHBondContact OG1-CG1 3.35Å; T177-I181 PolarHBondContact OG1-N 2.88Å; Q179-I181 PolarHBondContact O-N 2.91Å; I181-Q183 VanDerWaalsContact C-N 3.34Å; I181-Q183 PolarHBondContact O-N 2.92Å; I181-V184 WeakPolarHBondContact O-CG2 3.44Å |
| 182 | G | 48.7 | Very low | 64.4 | Low | 31 Ų | 31 | 65.1 Ų | 65.1 | 32% | 0.32 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -82.3 | 6.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117 | I180 | I180-G182 PolarHBondContact O-N 3.13Š|
| 183 | Q | 47 | Very low | 63.9 | Low | 139 Ų | 139 | 66.8 Ų | 66.8 | 65% | 0.65 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -129.1 | 12.3 | 175.8 | -67.2 | -164.9 | -55.8 | 0 | 0 | 112.3 | Q179 I180 I181 S185 | Q179-Q183 PolarHBondContact OE1-O 3.13Å; I180-Q183 WeakPolarHBondContact O-CA 3.33Å; I180-Q183 PolarHBondContact O-N 3.37Å; I181-Q183 VanDerWaalsContact C-N 3.34Å; I181-Q183 PolarHBondContact O-N 2.92Å; Q183-S185 VanDerWaalsContact C-N 3.32Å; Q183-S185 PolarHBondContact O-N 2.84Å |
| 184 | V | 50.9 | Low | 63.5 | Low | 13 Ų | 13 | 69.9 Ų | 69.9 | 8% | 0.079 | 41% | 0.407 | C | S | . | . | trans | -66.2 | 99.4 | 176.2 | -173.3 | 0 | 0 | 0 | 0 | 107.4 | S107 T177 I180 I181 | S107-V184 WeakPolarHBondContact OG-CB 3.24Å; S107-V184 WeakPolarHBondContact OG-CG1 3.42Å; T177-V184 HydrophobicContact CG2-CG2 3.9Å; I180-V184 PolarHBondContact O-N 2.77Å; I181-V184 WeakPolarHBondContact O-CG2 3.44Å | ||
| 185 | S | 43.1 | Very low | 63.4 | Low | 55 Ų | 55 | 66.9 Ų | 66.9 | 39% | 0.385 | 40% | 0.399 | S | S | . | . | trans | -49.9 | 144.7 | 166.7 | 176.6 | 0 | 0 | 0 | 0 | 108 | Q183 N187 | Q183-S185 VanDerWaalsContact C-N 3.32Å; Q183-S185 PolarHBondContact O-N 2.84Å; S185-N187 PolarHBondContact O-N 3.23Å | ||
| 186 | S | 51.5 | Low | 63.4 | Low | 114 Ų | 114 | 71 Ų | 71 | 80% | 0.797 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | -11.8 | 172.1 | 47.7 | 0 | 0 | 0 | 0 | 114.2 | G188 | S186-G188 PolarHBondContact O-N 2.86Š|
| 187 | N | 48.6 | Very low | 64 | Low | 137 Ų | 137 | 68.1 Ų | 68.1 | 73% | 0.733 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 33.9 | -178.7 | -63.7 | -7.3 | 0 | 0 | 0 | 115.9 | S185 G189 | S185-N187 PolarHBondContact O-N 3.23Å; N187-G189 PolarHBondContact O-N 3.22Å |
| 188 | G | 52.9 | Low | 65.3 | Low | 47 Ų | 47 | 70.6 Ų | 70.6 | 49% | 0.485 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 29.3 | 152.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | S186 R190 | S186-G188 PolarHBondContact O-N 2.86Å; G188-R190 PolarHBondContact O-N 2.96Å |
| 189 | G | 59.1 | Low | 67.4 | Low | 36 Ų | 36 | 68 Ų | 68 | 37% | 0.371 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 120.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | R121 N187 V191 | R121-G189 PolarHBondContact NH2-O 2.76Å; N187-G189 PolarHBondContact O-N 3.22Å; G189-V191 PolarHBondContact O-N 3.14Å |
| 190 | R | 70.2 | Confident | 69.5 | Low | 188 Ų | 188 | 68.6 Ų | 68.6 | 71% | 0.709 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 134.4 | 179.7 | -70.6 | -173.5 | 78.8 | 175.3 | 5.2 | 111 | E130 G188 | E130-R190 VanDerWaalsContact OE2-CA 3.25Å; E130-R190 WeakPolarHBondContact OE2-CA 3.33Å; G188-R190 PolarHBondContact O-N 2.96Å |
| 191 | V | 76.1 | Confident | 71.6 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.024 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 126.3 | 167.8 | -166.8 | 0 | 0 | 0 | 0 | 108.2 | L109 E130 C131 L175 T177 G189 | L109-V191 HydrophobicContact CD1-CG2 4.02Å; L109-V191 HydrophobicContact CD2-CG2 4.11Å; E130-V191 HydrophobicContact CB-CB 3.93Å; E130-V191 HydrophobicContact CB-CG2 3.93Å; E130-V191 HydrophobicContact CG-CB 4.5Å; E130-V191 HydrophobicContact CG-CG2 3.96Å; E130-V191 WeakPolarHBondContact OE2-CG2 3.33Å; E130-V191 PolarHBondContact OE2-N 3.14Å; C131-V191 WeakPolarHBondContact CB-O 3.41Å; L175-V191 HydrophobicContact CB-CG1 4.18Å; L175-V191 HydrophobicContact CD2-CG1 4.49Å; T177-V191 HydrophobicContact CG2-CB 4.18Å; T177-V191 HydrophobicContact CG2-CG1 3.89Å; T177-V191 HydrophobicContact CG2-CG2 3.77Å; G189-V191 PolarHBondContact O-N 3.14Å |
| 192 | S | 80.5 | Confident | 73.7 | Confident | 60 Ų | 60 | 61.8 Ų | 61.8 | 42% | 0.42 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 162.8 | 166.4 | 67.8 | 0 | 0 | 0 | 0 | 109.3 | E176 | E176-S192 CarbonylContact C-O 3.42Å; E176-S192 PolarHBondContact N-O 2.84Å; E176-S192 PolarHBondContact O-N 2.92Å; E176-S192 PolarHBondContact O-OG 2.95Å |
| 193 | A | 83.9 | Confident | 75.9 | Confident | 34 Ų | 34 | 66.4 Ų | 66.4 | 28% | 0.281 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 151.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | L133 R174 L175 | L133-A193 HydrophobicContact CD1-CB 4.41Å; L133-A193 HydrophobicContact CD2-CB 3.29Å; L133-A193 HydrophobicContact CG-CB 3.78Å; R174-A193 CarbonylContact O-C 3.37Å; R174-A193 WeakPolarHBondContact O-CA 3.46Å; L175-A193 HydrophobicContact CD2-CB 3.57Å |
| 194 | H | 86.6 | Confident | 78.3 | Confident | 74 Ų | 74 | 64.5 Ų | 64.5 | 34% | 0.343 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 157 | 175.2 | 63.3 | -95 | 0 | 0 | 0 | 110.9 | R174 E176 K196 | R174-H194 PolarHBondContact N-O 3.02Å; R174-H194 PolarHBondContact O-N 2.93Å; E176-H194 IonicContact OE1-CE1 3.19Å; E176-H194 PolarHBondContact OE1-CE1 3.43Å; E176-H194 IonicContact OE1-ND1 3.75Å; E176-H194 IonicContact OE2-CE1 3.83Å; E176-H194 IonicContact OE2-ND1 3.56Å; H194-K196 PolarHBondContact O-N 2.69Å |
| 195 | V | 90.1 | Very high | 80.6 | Confident | 27 Ų | 27 | 67.6 Ų | 67.6 | 16% | 0.164 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 110.7 | 174.1 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | N135 T171 W173 Q198 | N135-V195 VanDerWaalsContact OD1-CG2 3.22Å; N135-V195 WeakPolarHBondContact OD1-CG2 3.23Å; T171-V195 HydrophobicContact CG2-CG1 3.85Å; T171-V195 HydrophobicContact CG2-CG2 4.21Å; W173-V195 HydrophobicContact CE3-CG2 3.75Å; W173-V195 HydrophobicContact CH2-CG2 3.75Å; W173-V195 HydrophobicContact CZ3-CB 4.48Å; W173-V195 HydrophobicContact CZ3-CG2 3.3Å; V195-Q198 HydrophobicContact CG1-CB 4.35Å |
| 196 | K | 91.2 | Very high | 83.2 | Confident | 91 Ų | 91 | 65 Ų | 65 | 40% | 0.396 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | -46.6 | 171.3 | -178.4 | -178.9 | 176.5 | -174.5 | 0 | 110.1 | I172 R174 H194 | I172-K196 HydrophobicContact CG2-CB 4.33Å; I172-K196 HydrophobicContact CG2-CD 4.22Å; I172-K196 WeakPolarHBondContact O-CA 3.47Å; I172-K196 WeakPolarHBondContact O-CB 3.37Å; I172-K196 PolarHBondContact O-N 2.9Å; R174-K196 HydrophobicContact CB-CB 4.34Å; H194-K196 PolarHBondContact O-N 2.69Å |
| 197 | T | 92.5 | Very high | 85.4 | Confident | 33 Ų | 33 | 62.5 Ų | 62.5 | 20% | 0.202 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 157.8 | 175.4 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | I172 L235 L238 | I172-T197 HydrophobicContact CB-CG2 3.62Å; I172-T197 HydrophobicContact CG1-CG2 3.54Å; I172-T197 PolarHBondContact N-O 3.4Å; I172-T197 PolarHBondContact O-N 3.47Å; T197-L235 HydrophobicContact CG2-CD2 4.28Å; T197-L238 HydrophobicContact CG2-CD1 3.71Å |
| 198 | Q | 93 | Very high | 87.8 | Confident | 67 Ų | 67 | 56.3 Ų | 56.3 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 135.4 | 169.4 | -177.9 | 178.3 | 14.9 | 0 | 0 | 107.2 | N135 T169 C170 T171 V195 | N135-Q198 PolarHBondContact ND2-NE2 3.46Å; T169-Q198 HydrophobicContact CG2-CG 4.45Å; T169-Q198 PolarHBondContact OG1-NE2 2.94Å; T169-Q198 VanDerWaalsContact OG1-NE2 3.1Å; C170-Q198 WeakPolarHBondContact O-CA 3.44Å; T171-Q198 HydrophobicContact CG2-CB 4.33Å; T171-Q198 WeakPolarHBondContact OG1-CG 3.21Å; V195-Q198 HydrophobicContact CG1-CB 4.35Å |
| 199 | L | 94 | Very high | 89.9 | Confident | 22 Ų | 22 | 54.1 Ų | 54.1 | 12% | 0.115 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 150.5 | -178.4 | 62.8 | 120.5 | 0 | 0 | 0 | 110.6 | T169 C170 A201 F221 F233 L238 | T169-L199 CarbonylContact C-O 3.23Å; T169-L199 WeakPolarHBondContact CA-O 3.16Å; T169-L199 WeakPolarHBondContact CB-O 3.48Å; C170-L199 HydrophobicContact CB-CD2 4.49Å; C170-L199 HydrophobicContact CB-CG 4.3Å; C170-L199 PolarHBondContact N-O 2.87Å; C170-L199 PolarHBondContact O-N 3.22Å; L199-A201 HydrophobicContact CD1-CB 3.9Å; L199-A201 PolarHBondContact O-N 3.49Å; L199-F221 HydrophobicContact CD2-CZ 3.89Å; L199-F233 HydrophobicContact CD1-CD1 3.64Å; L199-F233 HydrophobicContact CD1-CE1 3.4Å; L199-F233 HydrophobicContact CD1-CG 4.47Å; L199-F233 HydrophobicContact CD1-CZ 4.09Å; L199-L238 HydrophobicContact CD2-CD2 3.97Å |
| 200 | I | 94.5 | Very high | 91.8 | Very high | 125 Ų | 125 | 52.7 Ų | 52.7 | 64% | 0.641 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 113.1 | 164.9 | -61 | 172.2 | 0 | 0 | 0 | 106.1 | T169 H202 | T169-I200 HydrophobicContact CG2-CG1 4.33Å; I200-H202 WeakPolarHBondContact CG2-O 3.28Å |
| 201 | A | 96.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | trans | -92.8 | -40.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T168 C170 L199 V206 R231 F233 | T168-A201 PolarHBondContact O-N 3.17Å; C170-A201 HydrophobicContact CB-CB 4.12Å; C170-A201 WeakPolarHBondContact SG-CB 3.44Å; L199-A201 HydrophobicContact CD1-CB 3.9Å; L199-A201 PolarHBondContact O-N 3.49Å; A201-V206 HydrophobicContact CB-CG2 4.15Å; A201-R231 WeakPolarHBondContact O-CD 3.3Å; A201-R231 PolarHBondContact O-NH1 3.38Å; A201-F233 HydrophobicContact CB-CE1 4.41Å; A201-F233 HydrophobicContact CB-CE2 4.31Å; A201-F233 HydrophobicContact CB-CZ 3.77Å | ||
| 202 | H | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -128 | 166.3 | -176.4 | -71.7 | -97.2 | 0 | 0 | 0 | 110.6 | T168 I200 K204 V206 S223 D227 S229 | T168-H202 WeakPolarHBondContact CB-O 3.08Å; T168-H202 PolarHBondContact O-N 3.4Å; I200-H202 WeakPolarHBondContact CG2-O 3.28Å; H202-K204 WeakPolarHBondContact CB-O 3.46Å; H202-V206 HydrophobicContact CB-CG2 4.26Å; H202-S223 PolarHBondContact CD2-OG 2.92Å; H202-S223 PolarHBondContact NE2-O 2.98Å; H202-S223 PolarHBondContact NE2-OG 3.14Å; H202-D227 WeakPolarHBondContact CB-OD2 3.34Å; H202-D227 IonicContact CE1-OD1 3.78Å; H202-D227 IonicContact CG-OD1 3.79Å; H202-D227 IonicContact CG-OD2 2.64Å; H202-D227 VanDerWaalsContact ND1-CG 3.3Å; H202-D227 IonicContact ND1-OD1 2.69Å; H202-D227 PolarHBondContact ND1-OD1 2.92Å; H202-D227 IonicContact ND1-OD2 3.52Å; H202-D227 PolarHBondContact ND1-OD2 3.39Å; H202-S229 PolarHBondContact CE1-O 3.4Å; H202-S229 PolarHBondContact CE1-OG 2.76Å; H202-S229 PolarHBondContact ND1-OG 2.6Å | ||
| 203 | D | 95 | Very high | 94.5 | Very high | 127 Ų | 127 | 44.5 Ų | 44.5 | 68% | 0.679 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -84.8 | -4.8 | 175.5 | -57.5 | -53.7 | 0 | 0 | 0 | 112.4 | R231 | D203-R231 IonicContact OD2-CZ 2.79Å; D203-R231 IonicContact OD2-NH1 3.99Å; D203-R231 IonicContact OD2-NH2 3.78Å; D203-R231 PolarHBondContact OD2-NH2 2.98Å |
| 204 | K | 97.7 | Very high | 94.7 | Very high | 99 Ų | 99 | 44.1 Ų | 44.1 | 43% | 0.43 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -140.7 | -174 | 175.6 | -61.9 | -175.1 | -176.2 | 170.2 | 0 | 109.9 | T168 H202 V206 A226 D227 | T168-K204 WeakPolarHBondContact CA-O 3.26Å; T168-K204 WeakPolarHBondContact CB-O 3.22Å; T168-K204 WeakPolarHBondContact CG2-O 3.3Å; H202-K204 WeakPolarHBondContact CB-O 3.46Å; K204-V206 PolarHBondContact O-N 3.03Å; K204-A226 HydrophobicContact CB-CB 3.8Å; K204-A226 HydrophobicContact CD-CB 4.13Å; K204-A226 WeakPolarHBondContact CD-O 3.22Å; K204-D227 HydrophobicContact CB-CB 4.38Å; K204-D227 HydrophobicContact CD-CB 4.48Å; K204-D227 HydrophobicContact CG-CB 4.39Å |
| 205 | E | 97.8 | Very high | 94.5 | Very high | 78 Ų | 78 | 44.3 Ų | 44.3 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | trans | -50 | 136.4 | -178.7 | -61.6 | 76.8 | -176.9 | 0 | 0 | 112 | I166 Y207 G225 A226 | I166-E205 HydrophobicContact CB-CB 4.4Å; I166-E205 HydrophobicContact CB-CG 3.95Å; I166-E205 HydrophobicContact CG2-CG 4.43Å; I166-E205 WeakPolarHBondContact O-CG 3.17Å; E205-Y207 HydrophobicContact CB-CD1 4.22Å; E205-Y207 HydrophobicContact CB-CE1 3.63Å; E205-Y207 HydrophobicContact CG-CE1 4.4Å; E205-G225 CarbonylContact O-C 3.44Å; E205-G225 WeakPolarHBondContact O-CA 3.47Å; E205-A226 HydrophobicContact CB-CB 4.19Å; E205-A226 PolarHBondContact O-N 3.28Å; E205-A226 WeakPolarHBondContact OE2-CB 3.4Å | ||
| 206 | V | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 126.1 | 172.1 | -166.2 | 0 | 0 | 0 | 0 | 107.9 | T149 A164 S165 T168 A201 H202 K204 V224 | T149-V206 WeakPolarHBondContact CB-O 3.27Å; T149-V206 WeakPolarHBondContact CG2-O 3.35Å; T149-V206 PolarHBondContact OG1-O 2.9Å; A164-V206 HydrophobicContact CB-CB 3.96Å; A164-V206 HydrophobicContact CB-CG1 3.6Å; S165-V206 WeakPolarHBondContact O-CB 3.08Å; S165-V206 PolarHBondContact O-N 3.2Å; S165-V206 VanDerWaalsContact O-N 3.08Å; T168-V206 WeakPolarHBondContact O-CG2 3.49Å; A201-V206 HydrophobicContact CB-CG2 4.15Å; H202-V206 HydrophobicContact CB-CG2 4.26Å; K204-V206 PolarHBondContact O-N 3.03Å; V206-V224 WeakPolarHBondContact CG1-O 3.36Å |
| 207 | Y | 98 | Very high | 94.2 | Very high | 62 Ų | 62 | 47.8 Ų | 47.8 | 24% | 0.243 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -34.8 | -176.1 | -66.6 | -34.9 | 0 | 0 | 0 | 113.8 | T149 E205 V224 A226 P252 L253 L254 | T149-Y207 WeakPolarHBondContact CB-O 3.29Å; T149-Y207 HydrophobicContact CG2-CD1 4.32Å; T149-Y207 PolarHBondContact OG1-O 2.77Å; E205-Y207 HydrophobicContact CB-CD1 4.22Å; E205-Y207 HydrophobicContact CB-CE1 3.63Å; E205-Y207 HydrophobicContact CG-CE1 4.4Å; Y207-V224 PolarHBondContact N-O 3.42Å; Y207-A226 HydrophobicContact CE2-CB 3.66Å; Y207-A226 WeakPolarHBondContact OH-CB 3.43Å; Y207-P252 HydrophobicContact CE2-CB 4.02Å; Y207-L253 WeakPolarHBondContact CD2-O 3.36Å; Y207-L254 HydrophobicContact CD2-CD2 3.98Å; Y207-L254 HydrophobicContact CE2-CD2 4.12Å |
| 208 | D | 98.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.043 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 160.4 | 180 | -157.6 | 9.1 | 0 | 0 | 0 | 112.2 | K95 S150 S223 V224 R255 I256 | K95-D208 IonicContact NZ-OD1 3.51Å; S150-D208 WeakPolarHBondContact CB-OD1 3.21Å; S150-D208 PolarHBondContact OG-OD1 3.45Å; D208-S223 VanDerWaalsContact O-CA 3.26Å; D208-S223 WeakPolarHBondContact O-CA 3.48Å; D208-S223 WeakPolarHBondContact O-CB 3.41Å; D208-V224 HydrophobicContact CB-CG2 3.6Å; D208-V224 PolarHBondContact N-O 3.04Å; D208-V224 PolarHBondContact O-N 3.37Å; D208-R255 WeakPolarHBondContact OD2-CA 3.41Å; D208-I256 HydrophobicContact CB-CG2 3.95Å; D208-I256 PolarHBondContact OD2-N 2.87Å |
| 209 | F | 97.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 136.6 | -171.6 | 178.2 | -73.8 | 0 | 0 | 0 | 109.2 | D152 A164 C170 I172 F211 F221 A222 | D152-F209 HydrophobicContact CB-CD1 3.77Å; D152-F209 HydrophobicContact CB-CE1 4.19Å; A164-F209 HydrophobicContact CB-CB 4.07Å; C170-F209 HydrophobicContact CB-CD2 4.25Å; C170-F209 HydrophobicContact CB-CE2 4.2Å; I172-F209 HydrophobicContact CD1-CE2 3.98Å; I172-F209 HydrophobicContact CD1-CZ 3.74Å; F209-F211 HydrophobicContact CE1-CD1 4.24Å; F209-F211 AromaticContact CE1-CD2 3.69Å; F209-F211 HydrophobicContact CE1-CD2 3.69Å; F209-F211 HydrophobicContact CE1-CE1 4.07Å; F209-F211 AromaticContact CE1-CE2 3.53Å; F209-F211 HydrophobicContact CE1-CE2 3.53Å; F209-F211 HydrophobicContact CE1-CG 4.04Å; F209-F211 AromaticContact CE1-CZ 3.71Å; F209-F211 HydrophobicContact CE1-CZ 3.71Å; F209-F211 HydrophobicContact CZ-CD1 4.39Å; F209-F211 HydrophobicContact CZ-CD2 4.47Å; F209-F211 AromaticContact CZ-CE1 3.9Å; F209-F211 HydrophobicContact CZ-CE1 3.9Å; F209-F211 HydrophobicContact CZ-CE2 4.03Å; F209-F211 AromaticContact CZ-CZ 3.7Å; F209-F211 HydrophobicContact CZ-CZ 3.7Å; F209-F221 AromaticContact CD2-CD2 3.78Å; F209-F221 HydrophobicContact CD2-CD2 3.78Å; F209-F221 HydrophobicContact CD2-CE2 4.16Å; F209-F221 HydrophobicContact CE1-CB 3.96Å; F209-F221 HydrophobicContact CE1-CD2 4.42Å; F209-F221 HydrophobicContact CE1-CG 4.33Å; F209-F221 HydrophobicContact CE2-CB 4.07Å; F209-F221 HydrophobicContact CE2-CD1 4.35Å; F209-F221 AromaticContact CE2-CD2 3.03Å; F209-F221 HydrophobicContact CE2-CD2 3.03Å; F209-F221 AromaticContact CE2-CE2 3.39Å; F209-F221 HydrophobicContact CE2-CE2 3.39Å; F209-F221 AromaticContact CE2-CG 3.57Å; F209-F221 HydrophobicContact CE2-CG 3.57Å; F209-F221 HydrophobicContact CE2-CZ 4.19Å; F209-F221 HydrophobicContact CZ-CB 3.49Å; F209-F221 VanDerWaalsContact CZ-CB 3.49Å; F209-F221 HydrophobicContact CZ-CD1 4.1Å; F209-F221 AromaticContact CZ-CD2 3.41Å; F209-F221 HydrophobicContact CZ-CD2 3.41Å; F209-F221 VanDerWaalsContact CZ-CD2 3.41Å; F209-F221 HydrophobicContact CZ-CE2 4.1Å; F209-F221 AromaticContact CZ-CG 3.39Å; F209-F221 HydrophobicContact CZ-CG 3.39Å; F209-A222 WeakPolarHBondContact CA-O 3.13Å |
| 210 | A | 98.1 | Very high | 94.2 | Very high | 6 Ų | 6 | 49 Ų | 49 | 5% | 0.05 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 135.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D152 F221 A222 I256 W258 | D152-A210 WeakPolarHBondContact OD2-CA 3.47Å; A210-F221 CarbonylContact O-C 3.48Å; A210-F221 VanDerWaalsContact O-CA 3.28Å; A210-F221 WeakPolarHBondContact O-CA 3.46Å; A210-F221 WeakPolarHBondContact O-CB 3.35Å; A210-A222 PolarHBondContact N-O 3.42Å; A210-A222 PolarHBondContact O-N 3.16Å; A210-I256 HydrophobicContact CB-CG2 3.93Å; A210-W258 HydrophobicContact CB-CB 4.32Å |
| 211 | F | 97.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 144.1 | 168.1 | -76.7 | -69.1 | 0 | 0 | 0 | 111.4 | D152 N154 I160 I172 F209 F221 L235 K260 | D152-F211 HydrophobicContact CB-CD2 4.06Å; D152-F211 WeakPolarHBondContact O-CE2 3.27Å; D152-F211 PolarHBondContact OD2-N 3.36Å; N154-F211 HydrophobicContact CB-CD1 4.24Å; N154-F211 HydrophobicContact CB-CD2 3.67Å; N154-F211 HydrophobicContact CB-CE1 4.38Å; N154-F211 HydrophobicContact CB-CE2 3.78Å; N154-F211 HydrophobicContact CB-CG 3.92Å; N154-F211 HydrophobicContact CB-CZ 4.17Å; I160-F211 HydrophobicContact CG2-CE1 4.44Å; I160-F211 HydrophobicContact CG2-CE2 4.31Å; I160-F211 HydrophobicContact CG2-CZ 3.74Å; I172-F211 HydrophobicContact CD1-CZ 4.15Å; F209-F211 HydrophobicContact CE1-CD1 4.24Å; F209-F211 AromaticContact CE1-CD2 3.69Å; F209-F211 HydrophobicContact CE1-CD2 3.69Å; F209-F211 HydrophobicContact CE1-CE1 4.07Å; F209-F211 AromaticContact CE1-CE2 3.53Å; F209-F211 HydrophobicContact CE1-CE2 3.53Å; F209-F211 HydrophobicContact CE1-CG 4.04Å; F209-F211 AromaticContact CE1-CZ 3.71Å; F209-F211 HydrophobicContact CE1-CZ 3.71Å; F209-F211 HydrophobicContact CZ-CD1 4.39Å; F209-F211 HydrophobicContact CZ-CD2 4.47Å; F209-F211 AromaticContact CZ-CE1 3.9Å; F209-F211 HydrophobicContact CZ-CE1 3.9Å; F209-F211 HydrophobicContact CZ-CE2 4.03Å; F209-F211 AromaticContact CZ-CZ 3.7Å; F209-F211 HydrophobicContact CZ-CZ 3.7Å; F211-F221 HydrophobicContact CD1-CB 3.67Å; F211-F221 HydrophobicContact CE1-CB 3.94Å; F211-F221 HydrophobicContact CE1-CD1 4.32Å; F211-F221 HydrophobicContact CE1-CG 4.43Å; F211-F221 HydrophobicContact CG-CB 4.38Å; F211-L235 HydrophobicContact CE1-CD1 4.37Å; F211-K260 PolarHBondContact O-NZ 2.77Å |
| 212 | S | 96.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | trans | -68.3 | 138.8 | 164.3 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | N156 S214 Q217 V220 | N156-S212 PolarHBondContact ND2-O 3.4Å; N156-S212 VanDerWaalsContact ND2-O 3.1Å; S212-S214 WeakPolarHBondContact OG-CB 3.47Å; S212-S214 PolarHBondContact OG-N 3.46Å; S212-S214 VanDerWaalsContact OG-N 3.17Å; S212-Q217 PolarHBondContact OG-OE1 2.9Å; S212-V220 PolarHBondContact N-O 2.77Å | ||
| 213 | K | 90.5 | Very high | 94.5 | Very high | 78 Ų | 78 | 43 Ų | 43 | 34% | 0.339 | 22% | 0.219 | S | C | . | . | trans | -89 | -7.3 | 171.2 | -168.8 | 176.8 | -178.9 | 156.7 | 0 | 112.8 | E155 N156 A215 K260 | E155-K213 HydrophobicContact CB-CG 4.38Å; E155-K213 VanDerWaalsContact OE2-CD 3.24Å; E155-K213 WeakPolarHBondContact OE2-CD 3.16Å; E155-K213 WeakPolarHBondContact OE2-CE 3.24Å; E155-K213 IonicContact OE2-NZ 2.95Å; E155-K213 PolarHBondContact OE2-NZ 3.04Å; N156-K213 VanDerWaalsContact ND2-C 3.3Å; N156-K213 PolarHBondContact ND2-O 3.13Å; N156-K213 PolarHBondContact OD1-O 2.73Å; K213-A215 PolarHBondContact O-N 3.17Å; K213-K260 HydrophobicContact CB-CB 4.44Å; K213-K260 HydrophobicContact CB-CD 3.68Å; K213-K260 HydrophobicContact CD-CB 3.7Å; K213-K260 HydrophobicContact CD-CD 4.02Å; K213-K260 HydrophobicContact CD-CG 4.29Å; K213-K260 HydrophobicContact CG-CD 4.45Å | ||
| 214 | S | 88.4 | Confident | 94.7 | Very high | 26 Ų | 26 | 37 Ų | 37 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | trans | -60.3 | 127 | 179.3 | -172 | 0 | 0 | 0 | 0 | 110.8 | N156 S212 N216 Q217 R218 | N156-S214 PolarHBondContact ND2-O 3.05Å; S212-S214 WeakPolarHBondContact OG-CB 3.47Å; S212-S214 PolarHBondContact OG-N 3.46Å; S212-S214 VanDerWaalsContact OG-N 3.17Å; S214-N216 PolarHBondContact O-N 3.23Å; S214-N216 VanDerWaalsContact O-N 3.13Å; S214-Q217 VanDerWaalsContact CB-OE1 3.27Å; S214-Q217 CarbonylContact O-C 3.55Å; S214-Q217 VanDerWaalsContact O-C 3.28Å; S214-Q217 WeakPolarHBondContact O-CA 3.48Å; S214-Q217 PolarHBondContact O-N 3.01Å; S214-R218 PolarHBondContact O-N 2.6Å | ||
| 215 | A | 83 | Confident | 94.7 | Very high | 78 Ų | 78 | 32.2 Ų | 32.2 | 65% | 0.645 | 17% | 0.166 | S | C | * | . | G | 310 helix | trans | -57.3 | -30.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K213 Q217 | K213-A215 PolarHBondContact O-N 3.17Å; A215-Q217 VanDerWaalsContact C-N 3.31Å |
| 216 | N | 86.9 | Confident | 94.7 | Very high | 145 Ų | 145 | 28.8 Ų | 28.8 | 78% | 0.775 | 15% | 0.151 | S | C | * | . | G | 310 helix | trans | -81.5 | -9 | 177.1 | -66 | -18.4 | 0 | 0 | 0 | 113.4 | S214 | S214-N216 PolarHBondContact O-N 3.23Å; S214-N216 VanDerWaalsContact O-N 3.13Å |
| 217 | Q | 87.2 | Confident | 94.7 | Very high | 46 Ų | 46 | 29.6 Ų | 29.6 | 22% | 0.215 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -126.4 | 34.7 | -179.1 | -51.3 | 175.6 | -59.6 | 0 | 0 | 111.3 | S212 S214 A215 D219 V220 | S212-Q217 PolarHBondContact OG-OE1 2.9Å; S214-Q217 VanDerWaalsContact CB-OE1 3.27Å; S214-Q217 CarbonylContact O-C 3.55Å; S214-Q217 VanDerWaalsContact O-C 3.28Å; S214-Q217 WeakPolarHBondContact O-CA 3.48Å; S214-Q217 PolarHBondContact O-N 3.01Å; A215-Q217 VanDerWaalsContact C-N 3.31Å; Q217-D219 PolarHBondContact O-N 2.8Å; Q217-V220 HydrophobicContact CB-CB 3.87Å; Q217-V220 HydrophobicContact CB-CG2 3.71Å; Q217-V220 HydrophobicContact CG-CG2 4.37Å; Q217-V220 WeakPolarHBondContact O-CB 3.36Å; Q217-V220 PolarHBondContact O-N 3.22Å |
| 218 | R | 91.5 | Very high | 94.7 | Very high | 114 Ų | 114 | 26.7 Ų | 26.7 | 43% | 0.43 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -23.6 | 179.2 | 63.5 | 171.4 | -74.2 | 175 | 3.6 | 114.8 | N154 N156 D157 S214 | N154-R218 PolarHBondContact ND2-O 3Å; N156-R218 HydrophobicContact CB-CB 3.78Å; D157-R218 IonicContact OD2-NH2 3.71Å; D157-R218 PolarHBondContact OD2-NH2 3.44Å; S214-R218 PolarHBondContact O-N 2.6Å |
| 219 | D | 93 | Very high | 94.7 | Very high | 24 Ų | 24 | 26.3 Ų | 26.3 | 13% | 0.128 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 4.7 | -178.1 | -68.8 | -56 | 0 | 0 | 0 | 112.1 | Q217 L235 R236 | Q217-D219 PolarHBondContact O-N 2.8Å; D219-L235 HydrophobicContact CB-CB 4.04Å; D219-L235 WeakPolarHBondContact O-CB 3.28Å; D219-L235 VanDerWaalsContact O-CG 3.25Å; D219-L235 WeakPolarHBondContact O-CG 3.42Å; D219-L235 PolarHBondContact O-N 2.77Å; D219-R236 HydrophobicContact CB-CG 4.05Å; D219-R236 WeakPolarHBondContact OD2-CD 3.4Å; D219-R236 IonicContact OD2-NE 3.54Å |
| 220 | V | 96.2 | Very high | 94.7 | Very high | 9 Ų | 9 | 26.3 Ų | 26.3 | 6% | 0.055 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 136.7 | -176.4 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | S212 Q217 M232 F233 D234 W258 | S212-V220 PolarHBondContact N-O 2.77Å; Q217-V220 HydrophobicContact CB-CB 3.87Å; Q217-V220 HydrophobicContact CB-CG2 3.71Å; Q217-V220 HydrophobicContact CG-CG2 4.37Å; Q217-V220 WeakPolarHBondContact O-CB 3.36Å; Q217-V220 PolarHBondContact O-N 3.22Å; V220-M232 HydrophobicContact CG1-CG 3.59Å; V220-M232 HydrophobicContact CG1-SD 3.66Å; V220-F233 VanDerWaalsContact CA-O 3.3Å; V220-F233 WeakPolarHBondContact CA-O 2.97Å; V220-D234 HydrophobicContact CG2-CB 4.48Å; V220-W258 HydrophobicContact CG1-CH2 3.8Å; V220-W258 HydrophobicContact CG1-CZ3 4.46Å |
| 221 | F | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 165.8 | 171.4 | 67.2 | -88.9 | 0 | 0 | 0 | 110.3 | C170 I172 L199 F209 A210 F211 M232 F233 L235 L238 | C170-F221 HydrophobicContact CB-CE2 4.47Å; I172-F221 HydrophobicContact CD1-CD1 4.42Å; I172-F221 HydrophobicContact CD1-CE1 4.18Å; I172-F221 HydrophobicContact CD1-CZ 4.43Å; L199-F221 HydrophobicContact CD2-CZ 3.89Å; F209-F221 AromaticContact CD2-CD2 3.78Å; F209-F221 HydrophobicContact CD2-CD2 3.78Å; F209-F221 HydrophobicContact CD2-CE2 4.16Å; F209-F221 HydrophobicContact CE1-CB 3.96Å; F209-F221 HydrophobicContact CE1-CD2 4.42Å; F209-F221 HydrophobicContact CE1-CG 4.33Å; F209-F221 HydrophobicContact CE2-CB 4.07Å; F209-F221 HydrophobicContact CE2-CD1 4.35Å; F209-F221 AromaticContact CE2-CD2 3.03Å; F209-F221 HydrophobicContact CE2-CD2 3.03Å; F209-F221 AromaticContact CE2-CE2 3.39Å; F209-F221 HydrophobicContact CE2-CE2 3.39Å; F209-F221 AromaticContact CE2-CG 3.57Å; F209-F221 HydrophobicContact CE2-CG 3.57Å; F209-F221 HydrophobicContact CE2-CZ 4.19Å; F209-F221 HydrophobicContact CZ-CB 3.49Å; F209-F221 VanDerWaalsContact CZ-CB 3.49Å; F209-F221 HydrophobicContact CZ-CD1 4.1Å; F209-F221 AromaticContact CZ-CD2 3.41Å; F209-F221 HydrophobicContact CZ-CD2 3.41Å; F209-F221 VanDerWaalsContact CZ-CD2 3.41Å; F209-F221 HydrophobicContact CZ-CE2 4.1Å; F209-F221 AromaticContact CZ-CG 3.39Å; F209-F221 HydrophobicContact CZ-CG 3.39Å; A210-F221 CarbonylContact O-C 3.48Å; A210-F221 VanDerWaalsContact O-CA 3.28Å; A210-F221 WeakPolarHBondContact O-CA 3.46Å; A210-F221 WeakPolarHBondContact O-CB 3.35Å; F211-F221 HydrophobicContact CD1-CB 3.67Å; F211-F221 HydrophobicContact CE1-CB 3.94Å; F211-F221 HydrophobicContact CE1-CD1 4.32Å; F211-F221 HydrophobicContact CE1-CG 4.43Å; F211-F221 HydrophobicContact CG-CB 4.38Å; F221-M232 WeakPolarHBondContact O-CA 3.44Å; F221-F233 HydrophobicContact CD1-CB 4.01Å; F221-F233 HydrophobicContact CD2-CB 4.11Å; F221-F233 AromaticContact CD2-CD2 3.87Å; F221-F233 HydrophobicContact CD2-CD2 3.87Å; F221-F233 HydrophobicContact CD2-CG 4.31Å; F221-F233 HydrophobicContact CE1-CB 3.43Å; F221-F233 VanDerWaalsContact CE1-CB 3.43Å; F221-F233 HydrophobicContact CE1-CG 4.24Å; F221-F233 HydrophobicContact CE2-CB 3.58Å; F221-F233 HydrophobicContact CE2-CD1 4.43Å; F221-F233 AromaticContact CE2-CD2 3.31Å; F221-F233 HydrophobicContact CE2-CD2 3.31Å; F221-F233 HydrophobicContact CE2-CE2 4.1Å; F221-F233 AromaticContact CE2-CG 3.53Å; F221-F233 HydrophobicContact CE2-CG 3.53Å; F221-F233 HydrophobicContact CG-CB 4.33Å; F221-F233 HydrophobicContact CZ-CB 3.21Å; F221-F233 HydrophobicContact CZ-CD1 4.19Å; F221-F233 AromaticContact CZ-CD2 3.82Å; F221-F233 HydrophobicContact CZ-CD2 3.82Å; F221-F233 AromaticContact CZ-CG 3.49Å; F221-F233 HydrophobicContact CZ-CG 3.49Å; F221-F233 VanDerWaalsContact CZ-CG 3.49Å; F221-F233 PolarHBondContact N-O 3.02Å; F221-F233 PolarHBondContact O-N 3.03Å; F221-L235 HydrophobicContact CD1-CD2 4Å; F221-L235 HydrophobicContact CD1-CG 4.14Å; F221-L235 HydrophobicContact CE1-CD2 3.54Å; F221-L235 HydrophobicContact CE1-CG 4.08Å; F221-L238 HydrophobicContact CE1-CD2 4.34Å |
| 222 | A | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 153 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | F209 A210 R231 M232 I256 W258 I266 | F209-A222 WeakPolarHBondContact CA-O 3.13Å; A210-A222 PolarHBondContact N-O 3.42Å; A210-A222 PolarHBondContact O-N 3.16Å; A222-R231 CarbonylContact C-O 3.59Å; A222-R231 WeakPolarHBondContact CA-O 3.47Å; A222-R231 WeakPolarHBondContact CB-O 3.39Å; A222-M232 HydrophobicContact CB-CB 4.45Å; A222-I256 HydrophobicContact CB-CD1 3.46Å; A222-I256 VanDerWaalsContact CB-CD1 3.46Å; A222-W258 HydrophobicContact CB-CE3 4.17Å; A222-W258 HydrophobicContact CB-CH2 4.38Å; A222-W258 HydrophobicContact CB-CZ3 3.58Å; A222-I266 HydrophobicContact CB-CD1 4.32Å |
| 223 | S | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 157.4 | 177.4 | 58.7 | 0 | 0 | 0 | 0 | 111.3 | H202 D208 V230 R231 F233 | H202-S223 PolarHBondContact CD2-OG 2.92Å; H202-S223 PolarHBondContact NE2-O 2.98Å; H202-S223 PolarHBondContact NE2-OG 3.14Å; D208-S223 VanDerWaalsContact O-CA 3.26Å; D208-S223 WeakPolarHBondContact O-CA 3.48Å; D208-S223 WeakPolarHBondContact O-CB 3.41Å; S223-V230 WeakPolarHBondContact O-CA 3.26Å; S223-R231 PolarHBondContact N-O 3.06Å; S223-R231 PolarHBondContact O-N 3.42Å; S223-F233 WeakPolarHBondContact OG-CE2 3.34Å |
| 224 | V | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 152.3 | 173.3 | -70.3 | 0 | 0 | 0 | 0 | 110.2 | V206 Y207 D208 S229 V230 L253 I256 | V206-V224 WeakPolarHBondContact CG1-O 3.36Å; Y207-V224 PolarHBondContact N-O 3.42Å; D208-V224 HydrophobicContact CB-CG2 3.6Å; D208-V224 PolarHBondContact N-O 3.04Å; D208-V224 PolarHBondContact O-N 3.37Å; V224-S229 WeakPolarHBondContact CA-O 3.37Å; V224-V230 HydrophobicContact CG1-CB 4.29Å; V224-V230 HydrophobicContact CG1-CG1 4.38Å; V224-V230 HydrophobicContact CG1-CG2 3.73Å; V224-L253 HydrophobicContact CB-CB 3.78Å; V224-L253 HydrophobicContact CG1-CB 4.03Å; V224-L253 HydrophobicContact CG1-CD1 4.23Å; V224-I256 HydrophobicContact CG1-CB 3.95Å; V224-I256 HydrophobicContact CG1-CD1 4.28Å; V224-I256 HydrophobicContact CG1-CG1 4.4Å; V224-I256 HydrophobicContact CG2-CB 4.03Å; V224-I256 HydrophobicContact CG2-CG2 4.22Å |
| 225 | G | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | -178.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | E205 D227 G228 L253 | E205-G225 CarbonylContact O-C 3.44Å; E205-G225 WeakPolarHBondContact O-CA 3.47Å; G225-D227 PolarHBondContact O-N 2.89Å; G225-G228 PolarHBondContact O-N 2.84Å; G225-G228 VanDerWaalsContact O-N 3.09Å; G225-L253 PolarHBondContact O-N 3.38Å; G225-L253 VanDerWaalsContact O-N 3.07Å |
| 226 | A | 98.3 | Very high | 95.7 | Very high | 5 Ų | 5 | 30 Ų | 30 | 4% | 0.041 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K204 E205 Y207 | K204-A226 HydrophobicContact CB-CB 3.8Å; K204-A226 HydrophobicContact CD-CB 4.13Å; K204-A226 WeakPolarHBondContact CD-O 3.22Å; E205-A226 HydrophobicContact CB-CB 4.19Å; E205-A226 PolarHBondContact O-N 3.28Å; E205-A226 WeakPolarHBondContact OE2-CB 3.4Å; Y207-A226 HydrophobicContact CE2-CB 3.66Å; Y207-A226 WeakPolarHBondContact OH-CB 3.43Å |
| 227 | D | 97.7 | Very high | 96 | Very high | 18 Ų | 18 | 28.8 Ų | 28.8 | 10% | 0.096 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -4 | 171.6 | 69.2 | 0.7 | 0 | 0 | 0 | 113.1 | H202 K204 G225 S229 R231 | H202-D227 WeakPolarHBondContact CB-OD2 3.34Å; H202-D227 IonicContact CE1-OD1 3.78Å; H202-D227 IonicContact CG-OD1 3.79Å; H202-D227 IonicContact CG-OD2 2.64Å; H202-D227 VanDerWaalsContact ND1-CG 3.3Å; H202-D227 IonicContact ND1-OD1 2.69Å; H202-D227 PolarHBondContact ND1-OD1 2.92Å; H202-D227 IonicContact ND1-OD2 3.52Å; H202-D227 PolarHBondContact ND1-OD2 3.39Å; K204-D227 HydrophobicContact CB-CB 4.38Å; K204-D227 HydrophobicContact CD-CB 4.48Å; K204-D227 HydrophobicContact CG-CB 4.39Å; G225-D227 PolarHBondContact O-N 2.89Å; D227-S229 PolarHBondContact OD1-N 2.95Å; D227-S229 PolarHBondContact OD1-OG 2.89Å; D227-S229 PolarHBondContact OD2-OG 2.81Å; D227-S229 VanDerWaalsContact OD2-OG 3.11Å; D227-R231 IonicContact OD2-CZ 2.74Å; D227-R231 IonicContact OD2-NE 3.4Å; D227-R231 PolarHBondContact OD2-NE 2.55Å; D227-R231 IonicContact OD2-NH2 2.8Å; D227-R231 PolarHBondContact OD2-NH2 3.14Å |
| 228 | G | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 78 | 18.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | G225 E246 D247 T251 | G225-G228 PolarHBondContact O-N 2.84Å; G225-G228 VanDerWaalsContact O-N 3.09Å; G228-E246 WeakPolarHBondContact O-CA 3.32Å; G228-D247 PolarHBondContact O-N 2.89Å; G228-T251 WeakPolarHBondContact CA-O 3.37Å |
| 229 | S | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 149.6 | -176.8 | 71.3 | 0 | 0 | 0 | 0 | 113.7 | H202 V224 D227 R231 Y245 | H202-S229 PolarHBondContact CE1-O 3.4Å; H202-S229 PolarHBondContact CE1-OG 2.76Å; H202-S229 PolarHBondContact ND1-OG 2.6Å; V224-S229 WeakPolarHBondContact CA-O 3.37Å; D227-S229 PolarHBondContact OD1-N 2.95Å; D227-S229 PolarHBondContact OD1-OG 2.89Å; D227-S229 PolarHBondContact OD2-OG 2.81Å; D227-S229 VanDerWaalsContact OD2-OG 3.11Å; S229-R231 PolarHBondContact OG-NE 3.15Å; S229-R231 VanDerWaalsContact OG-NE 3.1Å; S229-Y245 CarbonylContact C-O 3.54Å; S229-Y245 VanDerWaalsContact CA-O 3.31Å; S229-Y245 WeakPolarHBondContact CA-O 3.27Å |
| 230 | V | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 116.4 | 162.1 | -176.1 | 0 | 0 | 0 | 0 | 107.3 | S223 V224 I244 Y245 L253 I256 T268 L279 | S223-V230 WeakPolarHBondContact O-CA 3.26Å; V224-V230 HydrophobicContact CG1-CB 4.29Å; V224-V230 HydrophobicContact CG1-CG1 4.38Å; V224-V230 HydrophobicContact CG1-CG2 3.73Å; V230-I244 HydrophobicContact CG1-CB 4.35Å; V230-I244 PolarHBondContact O-N 2.68Å; V230-Y245 HydrophobicContact CG2-CD1 4.17Å; V230-Y245 PolarHBondContact N-O 2.8Å; V230-Y245 PolarHBondContact O-N 2.88Å; V230-L253 HydrophobicContact CG2-CD1 3.57Å; V230-I256 HydrophobicContact CG1-CD1 3.96Å; V230-T268 HydrophobicContact CG2-CG2 4.05Å; V230-L279 HydrophobicContact CB-CD1 4.29Å; V230-L279 HydrophobicContact CG1-CD1 4.44Å; V230-L279 HydrophobicContact CG2-CD1 3.77Å |
| 231 | R | 97.7 | Very high | 95.7 | Very high | 29 Ų | 29 | 40 Ų | 40 | 11% | 0.109 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 134.5 | -180 | -64.4 | -179.6 | -174.8 | -156.9 | 0.3 | 110.2 | A201 D203 A222 S223 D227 S229 F233 T242 I243 | A201-R231 WeakPolarHBondContact O-CD 3.3Å; A201-R231 PolarHBondContact O-NH1 3.38Å; D203-R231 IonicContact OD2-CZ 2.79Å; D203-R231 IonicContact OD2-NH1 3.99Å; D203-R231 IonicContact OD2-NH2 3.78Å; D203-R231 PolarHBondContact OD2-NH2 2.98Å; A222-R231 CarbonylContact C-O 3.59Å; A222-R231 WeakPolarHBondContact CA-O 3.47Å; A222-R231 WeakPolarHBondContact CB-O 3.39Å; S223-R231 PolarHBondContact N-O 3.06Å; S223-R231 PolarHBondContact O-N 3.42Å; D227-R231 IonicContact OD2-CZ 2.74Å; D227-R231 IonicContact OD2-NE 3.4Å; D227-R231 PolarHBondContact OD2-NE 2.55Å; D227-R231 IonicContact OD2-NH2 2.8Å; D227-R231 PolarHBondContact OD2-NH2 3.14Å; S229-R231 PolarHBondContact OG-NE 3.15Å; S229-R231 VanDerWaalsContact OG-NE 3.1Å; R231-F233 HydrophobicContact CB-CD2 4.49Å; R231-F233 HydrophobicContact CB-CE2 3.52Å; R231-F233 HydrophobicContact CB-CZ 3.77Å; R231-F233 WeakPolarHBondContact O-CE2 3.44Å; R231-T242 WeakPolarHBondContact CA-O 3.32Å; R231-I243 HydrophobicContact CG-CG1 4.26Å |
| 232 | M | 97.1 | Very high | 95.6 | Very high | 36 Ų | 36 | 43.7 Ų | 43.7 | 18% | 0.177 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 140.9 | 176.8 | -179.3 | 178.6 | 66.2 | 0 | 0 | 110.8 | V220 F221 A222 S241 T242 I244 W258 | V220-M232 HydrophobicContact CG1-CG 3.59Å; V220-M232 HydrophobicContact CG1-SD 3.66Å; F221-M232 WeakPolarHBondContact O-CA 3.44Å; A222-M232 HydrophobicContact CB-CB 4.45Å; M232-S241 CarbonylContact O-C 3.53Å; M232-S241 WeakPolarHBondContact O-CA 3.13Å; M232-T242 PolarHBondContact N-O 2.89Å; M232-T242 PolarHBondContact O-N 2.88Å; M232-I244 HydrophobicContact CB-CD1 3.45Å; M232-I244 VanDerWaalsContact CB-CD1 3.45Å; M232-I244 HydrophobicContact CB-CG1 3.92Å; M232-I244 HydrophobicContact CE-CD1 4.06Å; M232-I244 HydrophobicContact CG-CD1 4.13Å; M232-I244 HydrophobicContact SD-CD1 3.76Å; M232-W258 HydrophobicContact CG-CH2 4.44Å; M232-W258 HydrophobicContact SD-CH2 4.1Å |
| 233 | F | 97.1 | Very high | 95.5 | Very high | 7 Ų | 7 | 47 Ų | 47 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 147.2 | -173.5 | -58.3 | -98.5 | 0 | 0 | 0 | 109.8 | L199 A201 V220 F221 S223 R231 | L199-F233 HydrophobicContact CD1-CD1 3.64Å; L199-F233 HydrophobicContact CD1-CE1 3.4Å; L199-F233 HydrophobicContact CD1-CG 4.47Å; L199-F233 HydrophobicContact CD1-CZ 4.09Å; A201-F233 HydrophobicContact CB-CE1 4.41Å; A201-F233 HydrophobicContact CB-CE2 4.31Å; A201-F233 HydrophobicContact CB-CZ 3.77Å; V220-F233 VanDerWaalsContact CA-O 3.3Å; V220-F233 WeakPolarHBondContact CA-O 2.97Å; F221-F233 HydrophobicContact CD1-CB 4.01Å; F221-F233 HydrophobicContact CD2-CB 4.11Å; F221-F233 AromaticContact CD2-CD2 3.87Å; F221-F233 HydrophobicContact CD2-CD2 3.87Å; F221-F233 HydrophobicContact CD2-CG 4.31Å; F221-F233 HydrophobicContact CE1-CB 3.43Å; F221-F233 VanDerWaalsContact CE1-CB 3.43Å; F221-F233 HydrophobicContact CE1-CG 4.24Å; F221-F233 HydrophobicContact CE2-CB 3.58Å; F221-F233 HydrophobicContact CE2-CD1 4.43Å; F221-F233 AromaticContact CE2-CD2 3.31Å; F221-F233 HydrophobicContact CE2-CD2 3.31Å; F221-F233 HydrophobicContact CE2-CE2 4.1Å; F221-F233 AromaticContact CE2-CG 3.53Å; F221-F233 HydrophobicContact CE2-CG 3.53Å; F221-F233 HydrophobicContact CG-CB 4.33Å; F221-F233 HydrophobicContact CZ-CB 3.21Å; F221-F233 HydrophobicContact CZ-CD1 4.19Å; F221-F233 AromaticContact CZ-CD2 3.82Å; F221-F233 HydrophobicContact CZ-CD2 3.82Å; F221-F233 AromaticContact CZ-CG 3.49Å; F221-F233 HydrophobicContact CZ-CG 3.49Å; F221-F233 VanDerWaalsContact CZ-CG 3.49Å; F221-F233 PolarHBondContact N-O 3.02Å; F221-F233 PolarHBondContact O-N 3.03Å; S223-F233 WeakPolarHBondContact OG-CE2 3.34Å; R231-F233 HydrophobicContact CB-CD2 4.49Å; R231-F233 HydrophobicContact CB-CE2 3.52Å; R231-F233 HydrophobicContact CB-CZ 3.77Å; R231-F233 WeakPolarHBondContact O-CE2 3.44Å |
| 234 | D | 95.2 | Very high | 95.4 | Very high | 31 Ų | 31 | 47 Ų | 47 | 17% | 0.166 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 120.8 | 169.8 | -171.8 | -37.2 | 0 | 0 | 0 | 108.5 | V220 R236 H237 L238 | V220-D234 HydrophobicContact CG2-CB 4.48Å; D234-R236 PolarHBondContact O-N 3.46Å; D234-R236 VanDerWaalsContact OD1-CB 3.23Å; D234-R236 WeakPolarHBondContact OD1-CB 3.48Å; D234-R236 WeakPolarHBondContact OD1-CG 3.46Å; D234-R236 IonicContact OD1-CZ 2.98Å; D234-R236 PolarHBondContact OD1-N 2.87Å; D234-R236 IonicContact OD1-NE 3.51Å; D234-R236 PolarHBondContact OD1-NE 3.02Å; D234-R236 IonicContact OD1-NH2 3.59Å; D234-R236 IonicContact OD2-CZ 3.76Å; D234-R236 IonicContact OD2-NE 3.65Å; D234-R236 PolarHBondContact OD2-NE 2.94Å; D234-R236 IonicContact OD2-NH2 3.4Å; D234-R236 PolarHBondContact OD2-NH2 2.91Å; D234-H237 CarbonylContact O-C 3.51Å; D234-H237 VanDerWaalsContact O-C 3.23Å; D234-H237 PolarHBondContact O-N 2.87Å; D234-L238 WeakPolarHBondContact O-CD2 3.18Å; D234-L238 PolarHBondContact O-N 2.99Å |
| 235 | L | 93.6 | Very high | 95.3 | Very high | 21 Ų | 21 | 47.2 Ų | 47.2 | 11% | 0.11 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -18.3 | -179.4 | -65.7 | 173.8 | 0 | 0 | 0 | 113.4 | I172 T197 F211 D219 F221 L238 | I172-L235 HydrophobicContact CB-CD2 4.38Å; I172-L235 HydrophobicContact CD1-CD2 3.97Å; I172-L235 HydrophobicContact CG1-CD2 3.61Å; I172-L235 HydrophobicContact CG2-CD1 4.44Å; I172-L235 HydrophobicContact CG2-CD2 4.21Å; T197-L235 HydrophobicContact CG2-CD2 4.28Å; F211-L235 HydrophobicContact CE1-CD1 4.37Å; D219-L235 HydrophobicContact CB-CB 4.04Å; D219-L235 WeakPolarHBondContact O-CB 3.28Å; D219-L235 VanDerWaalsContact O-CG 3.25Å; D219-L235 WeakPolarHBondContact O-CG 3.42Å; D219-L235 PolarHBondContact O-N 2.77Å; F221-L235 HydrophobicContact CD1-CD2 4Å; F221-L235 HydrophobicContact CD1-CG 4.14Å; F221-L235 HydrophobicContact CE1-CD2 3.54Å; F221-L235 HydrophobicContact CE1-CG 4.08Å; L235-L238 HydrophobicContact CD2-CD2 4.36Å |
| 236 | R | 92.7 | Very high | 95.3 | Very high | 144 Ų | 144 | 51.8 Ų | 51.8 | 54% | 0.543 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -20.9 | 176.3 | -56 | 169.8 | -66.1 | -177.3 | 2.4 | 112.3 | D219 D234 | D219-R236 HydrophobicContact CB-CG 4.05Å; D219-R236 WeakPolarHBondContact OD2-CD 3.4Å; D219-R236 IonicContact OD2-NE 3.54Å; D234-R236 PolarHBondContact O-N 3.46Å; D234-R236 VanDerWaalsContact OD1-CB 3.23Å; D234-R236 WeakPolarHBondContact OD1-CB 3.48Å; D234-R236 WeakPolarHBondContact OD1-CG 3.46Å; D234-R236 IonicContact OD1-CZ 2.98Å; D234-R236 PolarHBondContact OD1-N 2.87Å; D234-R236 IonicContact OD1-NE 3.51Å; D234-R236 PolarHBondContact OD1-NE 3.02Å; D234-R236 IonicContact OD1-NH2 3.59Å; D234-R236 IonicContact OD2-CZ 3.76Å; D234-R236 IonicContact OD2-NE 3.65Å; D234-R236 PolarHBondContact OD2-NE 2.94Å; D234-R236 IonicContact OD2-NH2 3.4Å; D234-R236 PolarHBondContact OD2-NH2 2.91Å |
| 237 | H | 92.7 | Very high | 95.2 | Very high | 120 Ų | 120 | 52.4 Ų | 52.4 | 56% | 0.556 | 25% | 0.254 | S | S | * | . | trans | -139 | 54.2 | -172.6 | -61.4 | -64.1 | 0 | 0 | 0 | 111.8 | D234 E239 H240 | D234-H237 CarbonylContact O-C 3.51Å; D234-H237 VanDerWaalsContact O-C 3.23Å; D234-H237 PolarHBondContact O-N 2.87Å; H237-E239 PolarHBondContact O-N 2.83Å; H237-H240 PolarHBondContact O-N 2.82Å | ||
| 238 | L | 91.6 | Very high | 95.1 | Very high | 54 Ų | 54 | 57 Ų | 57 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -6.1 | -176.2 | -67.7 | 175.2 | 0 | 0 | 0 | 115.2 | T197 L199 F221 D234 L235 H240 | T197-L238 HydrophobicContact CG2-CD1 3.71Å; L199-L238 HydrophobicContact CD2-CD2 3.97Å; F221-L238 HydrophobicContact CE1-CD2 4.34Å; D234-L238 WeakPolarHBondContact O-CD2 3.18Å; D234-L238 PolarHBondContact O-N 2.99Å; L235-L238 HydrophobicContact CD2-CD2 4.36Å; L238-H240 PolarHBondContact O-N 2.88Å |
| 239 | E | 88.6 | Confident | 94.9 | Very high | 178 Ų | 178 | 59.9 Ų | 59.9 | 83% | 0.832 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -18.8 | 173.1 | -61 | 173.5 | -171.9 | 0 | 0 | 111.8 | H237 | H237-E239 PolarHBondContact O-N 2.83Š|
| 240 | H | 88.6 | Confident | 94.8 | Very high | 145 Ų | 145 | 65.4 Ų | 65.4 | 67% | 0.671 | 34% | 0.34 | S | S | * | . | trans | -132.3 | 133.2 | -179 | -59.7 | -42.4 | 0 | 0 | 0 | 111.5 | H237 L238 | H237-H240 PolarHBondContact O-N 2.82Å; L238-H240 PolarHBondContact O-N 2.88Å | ||
| 241 | S | 93.8 | Very high | 94.7 | Very high | 51 Ų | 51 | 67.5 Ų | 67.5 | 36% | 0.357 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 149.3 | 163.4 | 62.7 | 0 | 0 | 0 | 0 | 109.6 | M232 | M232-S241 CarbonylContact O-C 3.53Å; M232-S241 WeakPolarHBondContact O-CA 3.13Å |
| 242 | T | 94.8 | Very high | 94.7 | Very high | 77 Ų | 77 | 68 Ų | 68 | 47% | 0.472 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 123.8 | 172.2 | -57.6 | 0 | 0 | 0 | 0 | 109.1 | R231 M232 I244 | R231-T242 WeakPolarHBondContact CA-O 3.32Å; M232-T242 PolarHBondContact N-O 2.89Å; M232-T242 PolarHBondContact O-N 2.88Å; T242-I244 PolarHBondContact O-N 2.79Å |
| 243 | I | 95.9 | Very high | 94.8 | Very high | 69 Ų | 69 | 66.3 Ų | 66.3 | 35% | 0.354 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 116.2 | 169.6 | -60 | 172.5 | 0 | 0 | 0 | 107.4 | R231 E246 | R231-I243 HydrophobicContact CG-CG1 4.26Å; I243-E246 HydrophobicContact CG2-CB 4.46Å |
| 244 | I | 96.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -31.6 | 179 | -62.2 | -174.3 | 0 | 0 | 0 | 110.7 | V230 M232 T242 I266 L279 I281 C285 | V230-I244 HydrophobicContact CG1-CB 4.35Å; V230-I244 PolarHBondContact O-N 2.68Å; M232-I244 HydrophobicContact CB-CD1 3.45Å; M232-I244 VanDerWaalsContact CB-CD1 3.45Å; M232-I244 HydrophobicContact CB-CG1 3.92Å; M232-I244 HydrophobicContact CE-CD1 4.06Å; M232-I244 HydrophobicContact CG-CD1 4.13Å; M232-I244 HydrophobicContact SD-CD1 3.76Å; T242-I244 PolarHBondContact O-N 2.79Å; I244-I266 HydrophobicContact CD1-CD1 4.5Å; I244-L279 HydrophobicContact CG2-CD1 4.32Å; I244-I281 HydrophobicContact CD1-CB 4.16Å; I244-I281 HydrophobicContact CD1-CG2 3.88Å; I244-C285 WeakPolarHBondContact O-CA 3.41Å; I244-C285 PolarHBondContact O-N 2.81Å |
| 245 | Y | 98 | Very high | 94.8 | Very high | 3 Ų | 3 | 68.6 Ų | 68.6 | 1% | 0.012 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 146.3 | 178.7 | 175.3 | -103.8 | 0 | 0 | 0 | 109.3 | S229 V230 D247 L253 I277 L279 P287 R290 | S229-Y245 CarbonylContact C-O 3.54Å; S229-Y245 VanDerWaalsContact CA-O 3.31Å; S229-Y245 WeakPolarHBondContact CA-O 3.27Å; V230-Y245 HydrophobicContact CG2-CD1 4.17Å; V230-Y245 PolarHBondContact N-O 2.8Å; V230-Y245 PolarHBondContact O-N 2.88Å; Y245-D247 HydrophobicContact CE1-CB 4.14Å; Y245-D247 PolarHBondContact OH-OD1 2.87Å; Y245-L253 HydrophobicContact CD1-CD1 3.9Å; Y245-L253 HydrophobicContact CE1-CD1 4.21Å; Y245-L253 HydrophobicContact CE1-CD2 4.39Å; Y245-I277 HydrophobicContact CE1-CD1 3.92Å; Y245-L279 HydrophobicContact CD2-CD2 3.83Å; Y245-L279 HydrophobicContact CG-CD1 4.12Å; Y245-L279 HydrophobicContact CG-CD2 3.87Å; Y245-P287 HydrophobicContact CD2-CG 3.92Å; Y245-P287 HydrophobicContact CE2-CG 3.51Å; Y245-R290 PolarHBondContact OH-NH2 2.88Å |
| 246 | E | 97.5 | Very high | 95 | Very high | 97 Ų | 97 | 68 Ų | 68 | 45% | 0.453 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 128.7 | 169.3 | -172.1 | 171.8 | 108.2 | 0 | 0 | 106.9 | G228 I243 | G228-E246 WeakPolarHBondContact O-CA 3.32Å; I243-E246 HydrophobicContact CG2-CB 4.46Å |
| 247 | D | 96.6 | Very high | 95.2 | Very high | 18 Ų | 18 | 61.8 Ų | 61.8 | 10% | 0.096 | 34% | 0.337 | C | S | . | . | trans | -65.2 | 128.6 | 176.5 | -175.6 | 66.4 | 0 | 0 | 0 | 110.1 | G228 Y245 G249 Q250 T251 | G228-D247 PolarHBondContact O-N 2.89Å; Y245-D247 HydrophobicContact CE1-CB 4.14Å; Y245-D247 PolarHBondContact OH-OD1 2.87Å; D247-G249 PolarHBondContact O-N 2.8Å; D247-G249 VanDerWaalsContact O-N 3.11Å; D247-G249 WeakPolarHBondContact OD2-CA 3.42Å; D247-G249 PolarHBondContact OD2-N 2.81Å; D247-Q250 WeakPolarHBondContact O-CA 3.36Å; D247-Q250 PolarHBondContact O-N 2.83Å; D247-Q250 PolarHBondContact OD2-N 3.03Å; D247-T251 WeakPolarHBondContact OD2-CB 3.23Å; D247-T251 PolarHBondContact OD2-N 3.23Å; D247-T251 PolarHBondContact OD2-OG1 2.91Å | ||
| 248 | P | 94.8 | Very high | 95.4 | Very high | 114 Ų | 114 | 56.3 Ų | 56.3 | 74% | 0.74 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -26.5 | -178.9 | -26.4 | 35 | 0 | 0 | 0 | 114.3 | ||
| 249 | G | 94.5 | Very high | 95.7 | Very high | 60 Ų | 60 | 53.8 Ų | 53.8 | 62% | 0.619 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 0.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D247 T251 | D247-G249 PolarHBondContact O-N 2.8Å; D247-G249 VanDerWaalsContact O-N 3.11Å; D247-G249 WeakPolarHBondContact OD2-CA 3.42Å; D247-G249 PolarHBondContact OD2-N 2.81Å; G249-T251 PolarHBondContact O-N 3.24Å |
| 250 | Q | 95 | Very high | 95.8 | Very high | 118 Ų | 118 | 47.7 Ų | 47.7 | 55% | 0.551 | 27% | 0.269 | S | S | * | . | trans | 52.3 | 31.9 | -166.8 | -58.1 | -176.2 | 0.3 | 0 | 0 | 112.2 | D247 | D247-Q250 WeakPolarHBondContact O-CA 3.36Å; D247-Q250 PolarHBondContact O-N 2.83Å; D247-Q250 PolarHBondContact OD2-N 3.03Å | ||
| 251 | T | 97.1 | Very high | 96.1 | Very high | 43 Ų | 43 | 44.1 Ų | 44.1 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 129.7 | 177.6 | -46.7 | 0 | 0 | 0 | 0 | 108.5 | G228 D247 G249 L253 A270 S271 | G228-T251 WeakPolarHBondContact CA-O 3.37Å; D247-T251 WeakPolarHBondContact OD2-CB 3.23Å; D247-T251 PolarHBondContact OD2-N 3.23Å; D247-T251 PolarHBondContact OD2-OG1 2.91Å; G249-T251 PolarHBondContact O-N 3.24Å; T251-L253 PolarHBondContact O-N 2.94Å; T251-A270 HydrophobicContact CG2-CB 4.1Å; T251-S271 WeakPolarHBondContact CG2-O 3.32Å |
| 252 | P | 98 | Very high | 96.2 | Very high | 41 Ų | 41 | 43.6 Ų | 43.6 | 27% | 0.266 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -51 | 135.6 | 178.7 | -30.8 | 37.2 | 0 | 0 | 0 | 113.3 | Y207 A270 S271 | Y207-P252 HydrophobicContact CE2-CB 4.02Å; P252-A270 CarbonylContact O-C 3.4Å; P252-A270 WeakPolarHBondContact O-CA 3.45Å; P252-S271 PolarHBondContact O-N 3.06Å |
| 253 | L | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 121.4 | 176.2 | -63.1 | -174.1 | 0 | 0 | 0 | 110.3 | Y207 V224 G225 V230 Y245 T251 T268 I269 A270 | Y207-L253 WeakPolarHBondContact CD2-O 3.36Å; V224-L253 HydrophobicContact CB-CB 3.78Å; V224-L253 HydrophobicContact CG1-CB 4.03Å; V224-L253 HydrophobicContact CG1-CD1 4.23Å; G225-L253 PolarHBondContact O-N 3.38Å; G225-L253 VanDerWaalsContact O-N 3.07Å; V230-L253 HydrophobicContact CG2-CD1 3.57Å; Y245-L253 HydrophobicContact CD1-CD1 3.9Å; Y245-L253 HydrophobicContact CE1-CD1 4.21Å; Y245-L253 HydrophobicContact CE1-CD2 4.39Å; T251-L253 PolarHBondContact O-N 2.94Å; L253-T268 HydrophobicContact CD1-CG2 4.37Å; L253-I269 CarbonylContact C-O 3.58Å; L253-I269 WeakPolarHBondContact CA-O 3.25Å; L253-A270 HydrophobicContact CD2-CB 3.75Å |
| 254 | L | 96 | Very high | 96.1 | Very high | 39 Ų | 39 | 39.7 Ų | 39.7 | 20% | 0.204 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -32.6 | -164.7 | -61.1 | -176.3 | 0 | 0 | 0 | 114.8 | Y207 I269 | Y207-L254 HydrophobicContact CD2-CD2 3.98Å; Y207-L254 HydrophobicContact CE2-CD2 4.12Å; L254-I269 PolarHBondContact N-O 3.25Å |
| 255 | R | 96.6 | Very high | 96.1 | Very high | 47 Ų | 47 | 41.7 Ų | 41.7 | 18% | 0.177 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 146.9 | -172.9 | -65.3 | -66.2 | 180 | -97.4 | -4.2 | 111.1 | D208 T268 I269 N299 I301 | D208-R255 WeakPolarHBondContact OD2-CA 3.41Å; R255-T268 VanDerWaalsContact O-CA 3.27Å; R255-T268 WeakPolarHBondContact O-CA 3.35Å; R255-T268 PolarHBondContact O-OG1 2.95Å; R255-I269 HydrophobicContact CB-CD1 4.27Å; R255-I269 HydrophobicContact CG-CD1 4.44Å; R255-I269 PolarHBondContact O-N 2.89Å; R255-N299 PolarHBondContact NH2-OD1 2.91Å; R255-I301 HydrophobicContact CB-CD1 3.76Å; R255-I301 HydrophobicContact CB-CG1 3.82Å |
| 256 | I | 97.9 | Very high | 96.1 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 5% | 0.046 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 127.3 | 171.8 | -168.8 | 177 | 0 | 0 | 0 | 109.9 | D208 A210 A222 V224 V230 I266 A267 | D208-I256 HydrophobicContact CB-CG2 3.95Å; D208-I256 PolarHBondContact OD2-N 2.87Å; A210-I256 HydrophobicContact CB-CG2 3.93Å; A222-I256 HydrophobicContact CB-CD1 3.46Å; A222-I256 VanDerWaalsContact CB-CD1 3.46Å; V224-I256 HydrophobicContact CG1-CB 3.95Å; V224-I256 HydrophobicContact CG1-CD1 4.28Å; V224-I256 HydrophobicContact CG1-CG1 4.4Å; V224-I256 HydrophobicContact CG2-CB 4.03Å; V224-I256 HydrophobicContact CG2-CG2 4.22Å; V230-I256 HydrophobicContact CG1-CD1 3.96Å; I256-I266 HydrophobicContact CD1-CG2 3.89Å; I256-I266 HydrophobicContact CG1-CG2 3.52Å; I256-A267 WeakPolarHBondContact CA-O 3.34Å |
| 257 | A | 97.4 | Very high | 96.1 | Very high | 13 Ų | 13 | 37 Ų | 37 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 117.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | I266 A267 I301 W303 | A257-I266 WeakPolarHBondContact O-CA 3.44Å; A257-A267 HydrophobicContact CB-CB 4.45Å; A257-A267 PolarHBondContact N-O 3.04Å; A257-A267 PolarHBondContact O-N 3.11Å; A257-I301 HydrophobicContact CB-CB 4.19Å; A257-I301 HydrophobicContact CB-CD1 3.69Å; A257-I301 HydrophobicContact CB-CG1 3.93Å; A257-W303 PolarHBondContact O-NE1 3.5Å |
| 258 | W | 96.8 | Very high | 96.1 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 128.7 | 175.3 | -151 | -46 | 0 | 0 | 0 | 110.1 | A210 V220 A222 M232 K260 P263 I266 I281 W303 | A210-W258 HydrophobicContact CB-CB 4.32Å; V220-W258 HydrophobicContact CG1-CH2 3.8Å; V220-W258 HydrophobicContact CG1-CZ3 4.46Å; A222-W258 HydrophobicContact CB-CE3 4.17Å; A222-W258 HydrophobicContact CB-CH2 4.38Å; A222-W258 HydrophobicContact CB-CZ3 3.58Å; M232-W258 HydrophobicContact CG-CH2 4.44Å; M232-W258 HydrophobicContact SD-CH2 4.1Å; W258-K260 PolarHBondContact O-N 3.3Å; W258-P263 PolarHBondContact NE1-O 2.98Å; W258-I266 HydrophobicContact CD2-CD1 3.85Å; W258-I266 HydrophobicContact CD2-CG1 3.87Å; W258-I266 HydrophobicContact CE3-CD1 3.93Å; W258-I266 HydrophobicContact CE3-CG1 4.4Å; W258-I266 HydrophobicContact CG-CD1 4.47Å; W258-I266 HydrophobicContact CG-CG1 3.99Å; W258-I266 HydrophobicContact CH2-CD1 3.98Å; W258-I266 HydrophobicContact CZ2-CD1 3.92Å; W258-I266 HydrophobicContact CZ2-CG1 4.42Å; W258-I266 HydrophobicContact CZ3-CD1 4Å; W258-I281 HydrophobicContact CZ2-CD1 4.26Å; W258-I281 HydrophobicContact CZ2-CG2 4.38Å; W258-W303 VanDerWaalsContact C-CD1 3.43Å |
| 259 | N | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -66.1 | 119 | 173.8 | -174.6 | -30.1 | 0 | 0 | 0 | 110.2 | V261 D262 P263 Y265 W303 S308 | N259-V261 PolarHBondContact OD1-N 3.33Å; N259-D262 VanDerWaalsContact CB-O 3.26Å; N259-D262 WeakPolarHBondContact CB-O 3.36Å; N259-D262 CarbonylContact O-C 3.56Å; N259-D262 PolarHBondContact OD1-N 2.67Å; N259-P263 WeakPolarHBondContact O-CA 3.28Å; N259-Y265 VanDerWaalsContact CB-O 3.24Å; N259-Y265 WeakPolarHBondContact CB-O 3.06Å; N259-Y265 PolarHBondContact N-O 3.08Å; N259-W303 HydrophobicContact CB-CD2 3.66Å; N259-W303 HydrophobicContact CB-CE3 4.03Å; N259-W303 HydrophobicContact CB-CG 3.97Å; N259-W303 HydrophobicContact CB-CH2 4.47Å; N259-W303 HydrophobicContact CB-CZ2 4.12Å; N259-W303 HydrophobicContact CB-CZ3 4.43Å; N259-W303 VanDerWaalsContact ND2-CE3 3.27Å; N259-W303 VanDerWaalsContact ND2-CZ3 3.34Å; N259-W303 WeakPolarHBondContact ND2-CZ3 3.43Å; N259-S308 PolarHBondContact ND2-O 2.97Å | ||
| 260 | K | 92.4 | Very high | 96.3 | Very high | 51 Ų | 51 | 28 Ų | 28 | 22% | 0.222 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -84.9 | -13.6 | -173.1 | -59.6 | -63 | 179 | 161.6 | 0 | 112.7 | D152 E155 F211 K213 W258 | D152-K260 IonicContact OD2-NZ 3.24Å; E155-K260 WeakPolarHBondContact OE1-CD 3.44Å; E155-K260 WeakPolarHBondContact OE1-CE 3.46Å; E155-K260 IonicContact OE1-NZ 3.97Å; E155-K260 PolarHBondContact OE1-NZ 3.06Å; E155-K260 VanDerWaalsContact OE1-NZ 3.17Å; F211-K260 PolarHBondContact O-NZ 2.77Å; K213-K260 HydrophobicContact CB-CB 4.44Å; K213-K260 HydrophobicContact CB-CD 3.68Å; K213-K260 HydrophobicContact CD-CB 3.7Å; K213-K260 HydrophobicContact CD-CD 4.02Å; K213-K260 HydrophobicContact CD-CG 4.29Å; K213-K260 HydrophobicContact CG-CD 4.45Å; W258-K260 PolarHBondContact O-N 3.3Å |
| 261 | V | 94.5 | Very high | 96.2 | Very high | 69 Ų | 69 | 23.5 Ų | 23.5 | 42% | 0.418 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -96.4 | -48.1 | 178.1 | -176 | 0 | 0 | 0 | 0 | 110.7 | N259 P305 | N259-V261 PolarHBondContact OD1-N 3.33Å; V261-P305 WeakPolarHBondContact CG2-O 3.34Å |
| 262 | D | 95.2 | Very high | 95.8 | Very high | 41 Ų | 41 | 26.9 Ų | 26.9 | 22% | 0.219 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -116.1 | 94.7 | 170.3 | -172.7 | -11.9 | 0 | 0 | 0 | 110.1 | N259 N264 Y265 | N259-D262 VanDerWaalsContact CB-O 3.26Å; N259-D262 WeakPolarHBondContact CB-O 3.36Å; N259-D262 CarbonylContact O-C 3.56Å; N259-D262 PolarHBondContact OD1-N 2.67Å; D262-N264 PolarHBondContact O-N 2.79Å; D262-N264 WeakPolarHBondContact OD1-CB 3.4Å; D262-N264 PolarHBondContact OD1-N 2.88Å; D262-N264 VanDerWaalsContact OD1-N 3.14Å; D262-N264 PolarHBondContact OD1-ND2 3.4Å; D262-Y265 HydrophobicContact CB-CD2 4.07Å; D262-Y265 HydrophobicContact CB-CE2 4.49Å; D262-Y265 PolarHBondContact O-N 3.27Å; D262-Y265 VanDerWaalsContact O-N 3.14Å; D262-Y265 WeakPolarHBondContact OD2-CE2 3.19Å |
| 263 | P | 94.1 | Very high | 95.4 | Very high | 24 Ų | 24 | 26.8 Ų | 26.8 | 16% | 0.156 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 3.8 | -173.8 | 31 | -36.4 | 0 | 0 | 0 | 113.8 | W258 N259 Y265 I281 | W258-P263 PolarHBondContact NE1-O 2.98Å; N259-P263 WeakPolarHBondContact O-CA 3.28Å; P263-Y265 VanDerWaalsContact C-N 3.27Å; P263-I281 WeakPolarHBondContact O-CD1 3.08Å |
| 264 | N | 94.6 | Very high | 95.2 | Very high | 40 Ų | 40 | 29 Ų | 29 | 21% | 0.214 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -21.3 | 169.4 | -60.6 | -65.3 | 0 | 0 | 0 | 112.3 | D262 D280 I281 R282 | D262-N264 PolarHBondContact O-N 2.79Å; D262-N264 WeakPolarHBondContact OD1-CB 3.4Å; D262-N264 PolarHBondContact OD1-N 2.88Å; D262-N264 VanDerWaalsContact OD1-N 3.14Å; D262-N264 PolarHBondContact OD1-ND2 3.4Å; N264-D280 CarbonylContact O-C 3.43Å; N264-D280 WeakPolarHBondContact O-CA 3.47Å; N264-I281 PolarHBondContact O-N 2.7Å; N264-R282 WeakPolarHBondContact OD1-CD 3.45Å |
| 265 | Y | 96.6 | Very high | 95 | Very high | 44 Ų | 44 | 29 Ų | 29 | 17% | 0.173 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.5 | -175.7 | -62.6 | -67.5 | 0 | 0 | 0 | 113.3 | N259 D262 P263 I278 L279 D280 V288 M345 | N259-Y265 VanDerWaalsContact CB-O 3.24Å; N259-Y265 WeakPolarHBondContact CB-O 3.06Å; N259-Y265 PolarHBondContact N-O 3.08Å; D262-Y265 HydrophobicContact CB-CD2 4.07Å; D262-Y265 HydrophobicContact CB-CE2 4.49Å; D262-Y265 PolarHBondContact O-N 3.27Å; D262-Y265 VanDerWaalsContact O-N 3.14Å; D262-Y265 WeakPolarHBondContact OD2-CE2 3.19Å; P263-Y265 VanDerWaalsContact C-N 3.27Å; Y265-I278 HydrophobicContact CD1-CG2 4.3Å; Y265-L279 WeakPolarHBondContact CA-O 3.42Å; Y265-D280 HydrophobicContact CD1-CB 4.24Å; Y265-D280 HydrophobicContact CE1-CB 4.04Å; Y265-V288 HydrophobicContact CD1-CG2 4.26Å; Y265-V288 HydrophobicContact CE1-CG2 4.12Å; Y265-M345 HydrophobicContact CD1-CE 4.26Å; Y265-M345 HydrophobicContact CE1-CE 3.88Å |
| 266 | I | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 142.3 | 171.6 | -65.6 | 177.9 | 0 | 0 | 0 | 107.9 | A222 I244 I256 A257 W258 L279 I281 | A222-I266 HydrophobicContact CB-CD1 4.32Å; I244-I266 HydrophobicContact CD1-CD1 4.5Å; I256-I266 HydrophobicContact CD1-CG2 3.89Å; I256-I266 HydrophobicContact CG1-CG2 3.52Å; A257-I266 WeakPolarHBondContact O-CA 3.44Å; W258-I266 HydrophobicContact CD2-CD1 3.85Å; W258-I266 HydrophobicContact CD2-CG1 3.87Å; W258-I266 HydrophobicContact CE3-CD1 3.93Å; W258-I266 HydrophobicContact CE3-CG1 4.4Å; W258-I266 HydrophobicContact CG-CD1 4.47Å; W258-I266 HydrophobicContact CG-CG1 3.99Å; W258-I266 HydrophobicContact CH2-CD1 3.98Å; W258-I266 HydrophobicContact CZ2-CD1 3.92Å; W258-I266 HydrophobicContact CZ2-CG1 4.42Å; W258-I266 HydrophobicContact CZ3-CD1 4Å; I266-L279 HydrophobicContact CB-CB 4.49Å; I266-L279 PolarHBondContact N-O 3.1Å; I266-L279 PolarHBondContact O-N 2.98Å; I266-I281 HydrophobicContact CD1-CG2 3.6Å; I266-I281 HydrophobicContact CG1-CG2 3.98Å |
| 267 | A | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 144.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110 | I256 A257 V276 I277 I278 I301 W303 I311 | I256-A267 WeakPolarHBondContact CA-O 3.34Å; A257-A267 HydrophobicContact CB-CB 4.45Å; A257-A267 PolarHBondContact N-O 3.04Å; A257-A267 PolarHBondContact O-N 3.11Å; A267-V276 HydrophobicContact CB-CG1 4.16Å; A267-I277 CarbonylContact C-O 3.47Å; A267-I277 VanDerWaalsContact CA-O 3.28Å; A267-I277 WeakPolarHBondContact CA-O 2.94Å; A267-I278 HydrophobicContact CB-CD1 3.73Å; A267-I301 HydrophobicContact CB-CD1 4.24Å; A267-I301 WeakPolarHBondContact O-CD1 3.46Å; A267-W303 HydrophobicContact CB-CZ2 3.85Å; A267-I311 HydrophobicContact CB-CD1 3.56Å |
| 268 | T | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 157.6 | 174 | -171.6 | 0 | 0 | 0 | 0 | 110.8 | V230 L253 R255 I277 L279 | V230-T268 HydrophobicContact CG2-CG2 4.05Å; L253-T268 HydrophobicContact CD1-CG2 4.37Å; R255-T268 VanDerWaalsContact O-CA 3.27Å; R255-T268 WeakPolarHBondContact O-CA 3.35Å; R255-T268 PolarHBondContact O-OG1 2.95Å; T268-I277 HydrophobicContact CG2-CB 3.84Å; T268-I277 HydrophobicContact CG2-CD1 4.38Å; T268-I277 HydrophobicContact CG2-CG2 4.21Å; T268-I277 PolarHBondContact N-O 3.18Å; T268-I277 PolarHBondContact O-N 3.39Å; T268-L279 HydrophobicContact CG2-CD1 4.19Å |
| 269 | I | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.2 | 175.3 | -58.7 | 160.3 | 0 | 0 | 0 | 109.3 | L253 L254 R255 V276 V298 I301 | L253-I269 CarbonylContact C-O 3.58Å; L253-I269 WeakPolarHBondContact CA-O 3.25Å; L254-I269 PolarHBondContact N-O 3.25Å; R255-I269 HydrophobicContact CB-CD1 4.27Å; R255-I269 HydrophobicContact CG-CD1 4.44Å; R255-I269 PolarHBondContact O-N 2.89Å; I269-V276 HydrophobicContact CG1-CG2 4.16Å; I269-V298 HydrophobicContact CD1-CB 4.03Å; I269-V298 HydrophobicContact CD1-CG1 3.57Å; I269-V298 HydrophobicContact CG1-CB 4.34Å; I269-V298 HydrophobicContact CG1-CG1 4.18Å; I269-V298 HydrophobicContact CG2-CB 4.08Å; I269-V298 WeakPolarHBondContact CG2-O 3.46Å; I269-I301 HydrophobicContact CD1-CB 4.19Å; I269-I301 HydrophobicContact CD1-CD1 4.21Å; I269-I301 HydrophobicContact CD1-CG1 3.82Å; I269-I301 HydrophobicContact CD1-CG2 3.59Å; I269-I301 HydrophobicContact CG1-CD1 4.21Å; I269-I301 HydrophobicContact CG1-CG1 4.35Å; I269-I301 HydrophobicContact CG1-CG2 3.85Å |
| 270 | A | 95.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 3% | 0.025 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 148.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T251 P252 L253 T273 | T251-A270 HydrophobicContact CG2-CB 4.1Å; P252-A270 CarbonylContact O-C 3.4Å; P252-A270 WeakPolarHBondContact O-CA 3.45Å; L253-A270 HydrophobicContact CD2-CB 3.75Å; A270-T273 HydrophobicContact CB-CG2 3.78Å; A270-T273 PolarHBondContact O-N 3.36Å; A270-T273 PolarHBondContact O-OG1 3.49Å |
| 271 | S | 93.2 | Very high | 95 | Very high | 25 Ų | 25 | 24.7 Ų | 24.7 | 18% | 0.175 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 139.2 | 177.9 | -168.7 | 0 | 0 | 0 | 0 | 111.7 | T251 P252 T273 | T251-S271 WeakPolarHBondContact CG2-O 3.32Å; P252-S271 PolarHBondContact O-N 3.06Å; S271-T273 WeakPolarHBondContact O-CG2 3.45Å; S271-T273 PolarHBondContact O-N 2.87Å |
| 272 | D | 88.6 | Confident | 94.9 | Very high | 114 Ų | 114 | 28 Ų | 28 | 61% | 0.61 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 27.8 | 175.6 | -52 | -60.8 | 0 | 0 | 0 | 114.4 | C297 | D272-C297 VanDerWaalsContact C-SG 3.56Å; D272-C297 VanDerWaalsContact CA-SG 3.53Å |
| 273 | T | 91.4 | Very high | 94.9 | Very high | 38 Ų | 38 | 30.7 Ų | 30.7 | 23% | 0.233 | 16% | 0.155 | C | C | . | . | trans | -117 | 149.9 | 179 | 72.3 | 0 | 0 | 0 | 0 | 113 | A270 S271 E275 C297 V298 | A270-T273 HydrophobicContact CB-CG2 3.78Å; A270-T273 PolarHBondContact O-N 3.36Å; A270-T273 PolarHBondContact O-OG1 3.49Å; S271-T273 WeakPolarHBondContact O-CG2 3.45Å; S271-T273 PolarHBondContact O-N 2.87Å; T273-E275 VanDerWaalsContact C-N 3.27Å; T273-C297 CarbonylContact O-C 3.5Å; T273-C297 VanDerWaalsContact O-CA 3.25Å; T273-C297 WeakPolarHBondContact O-CA 3.5Å; T273-V298 PolarHBondContact O-N 2.84Å | ||
| 274 | T | 92.1 | Very high | 94.7 | Very high | 47 Ų | 47 | 32.7 Ų | 32.7 | 29% | 0.288 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -87.7 | 2.9 | 173.2 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | N292 A296 V298 | T274-N292 PolarHBondContact OG1-OD1 2.8Å; T274-A296 WeakPolarHBondContact CG2-O 3.28Å; T274-V298 WeakPolarHBondContact O-CG2 3.45Å |
| 275 | E | 92.7 | Very high | 94.6 | Very high | 39 Ų | 39 | 35 Ų | 35 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 137.7 | -165.8 | -165.4 | -170 | 101.1 | 0 | 0 | 111.7 | T273 R290 L291 N292 | T273-E275 VanDerWaalsContact C-N 3.27Å; E275-R290 VanDerWaalsContact CD-CB 3.47Å; E275-R290 HydrophobicContact CG-CB 3.94Å; E275-R290 HydrophobicContact CG-CG 4.47Å; E275-R290 WeakPolarHBondContact OE1-CB 3.27Å; E275-R290 WeakPolarHBondContact OE1-CD 3.23Å; E275-R290 WeakPolarHBondContact OE1-CG 3.28Å; E275-R290 IonicContact OE1-CZ 3.92Å; E275-R290 IonicContact OE1-NE 2.69Å; E275-R290 IonicContact OE1-NH1 3.22Å; E275-R290 PolarHBondContact OE1-NH1 3Å; E275-L291 VanDerWaalsContact CA-O 3.32Å; E275-L291 WeakPolarHBondContact CA-O 3.24Å; E275-N292 HydrophobicContact CG-CB 4.3Å |
| 276 | V | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126.2 | 167.9 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | A267 I269 I278 R290 L291 V298 I301 T313 | A267-V276 HydrophobicContact CB-CG1 4.16Å; I269-V276 HydrophobicContact CG1-CG2 4.16Å; V276-I278 HydrophobicContact CG1-CD1 4.17Å; V276-R290 CarbonylContact O-C 3.58Å; V276-R290 WeakPolarHBondContact O-CA 3.48Å; V276-L291 HydrophobicContact CB-CB 4.2Å; V276-L291 HydrophobicContact CB-CD1 4.37Å; V276-L291 PolarHBondContact N-O 3.26Å; V276-L291 PolarHBondContact O-N 3.41Å; V276-V298 HydrophobicContact CG2-CB 4.33Å; V276-V298 HydrophobicContact CG2-CG1 3.85Å; V276-V298 HydrophobicContact CG2-CG2 4.18Å; V276-I301 HydrophobicContact CB-CG2 4.5Å; V276-I301 HydrophobicContact CG1-CG2 3.65Å; V276-I301 HydrophobicContact CG2-CG2 4Å; V276-T313 HydrophobicContact CB-CG2 4.36Å; V276-T313 HydrophobicContact CG1-CG2 4.45Å; V276-T313 HydrophobicContact CG2-CG2 3.65Å |
| 277 | I | 96.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 123 | -176.7 | -59 | 168 | 0 | 0 | 0 | 108.4 | Y245 A267 T268 L279 P287 | Y245-I277 HydrophobicContact CE1-CD1 3.92Å; A267-I277 CarbonylContact C-O 3.47Å; A267-I277 VanDerWaalsContact CA-O 3.28Å; A267-I277 WeakPolarHBondContact CA-O 2.94Å; T268-I277 HydrophobicContact CG2-CB 3.84Å; T268-I277 HydrophobicContact CG2-CD1 4.38Å; T268-I277 HydrophobicContact CG2-CG2 4.21Å; T268-I277 PolarHBondContact N-O 3.18Å; T268-I277 PolarHBondContact O-N 3.39Å; I277-L279 HydrophobicContact CG2-CD2 3.67Å; I277-L279 HydrophobicContact CG2-CG 4.2Å; I277-P287 HydrophobicContact CG2-CB 3.77Å; I277-P287 HydrophobicContact CG2-CG 3.71Å |
| 278 | I | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 127.1 | 173.7 | -48.9 | -58.4 | 0 | 0 | 0 | 109 | Y265 A267 V276 P287 V288 A289 L291 W303 I311 M345 | Y265-I278 HydrophobicContact CD1-CG2 4.3Å; A267-I278 HydrophobicContact CB-CD1 3.73Å; V276-I278 HydrophobicContact CG1-CD1 4.17Å; I278-P287 CarbonylContact O-C 3.51Å; I278-P287 WeakPolarHBondContact O-CA 3.32Å; I278-V288 HydrophobicContact CB-CG2 4.16Å; I278-V288 HydrophobicContact CG2-CG2 3.77Å; I278-V288 WeakPolarHBondContact O-CG2 3.43Å; I278-V288 PolarHBondContact O-N 2.82Å; I278-A289 HydrophobicContact CB-CB 4.12Å; I278-A289 HydrophobicContact CG1-CB 4.21Å; I278-A289 PolarHBondContact N-O 3.25Å; I278-A289 PolarHBondContact O-N 2.71Å; I278-L291 HydrophobicContact CD1-CD1 4.13Å; I278-L291 HydrophobicContact CG1-CD1 4.33Å; I278-L291 HydrophobicContact CG1-CG 4.31Å; I278-W303 HydrophobicContact CD1-CH2 4.18Å; I278-W303 HydrophobicContact CD1-CZ2 4.21Å; I278-W303 HydrophobicContact CG2-CH2 4.26Å; I278-I311 HydrophobicContact CD1-CD1 4.17Å; I278-M345 HydrophobicContact CB-SD 4.41Å; I278-M345 HydrophobicContact CG2-CE 4.28Å; I278-M345 HydrophobicContact CG2-SD 4.05Å |
| 279 | L | 97.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 144.9 | -178.2 | -55.6 | 176.3 | 0 | 0 | 0 | 109.8 | V230 I244 Y245 Y265 I266 T268 I277 P287 | V230-L279 HydrophobicContact CB-CD1 4.29Å; V230-L279 HydrophobicContact CG1-CD1 4.44Å; V230-L279 HydrophobicContact CG2-CD1 3.77Å; I244-L279 HydrophobicContact CG2-CD1 4.32Å; Y245-L279 HydrophobicContact CD2-CD2 3.83Å; Y245-L279 HydrophobicContact CG-CD1 4.12Å; Y245-L279 HydrophobicContact CG-CD2 3.87Å; Y265-L279 WeakPolarHBondContact CA-O 3.42Å; I266-L279 HydrophobicContact CB-CB 4.49Å; I266-L279 PolarHBondContact N-O 3.1Å; I266-L279 PolarHBondContact O-N 2.98Å; T268-L279 HydrophobicContact CG2-CD1 4.19Å; I277-L279 HydrophobicContact CG2-CD2 3.67Å; I277-L279 HydrophobicContact CG2-CG 4.2Å; L279-P287 HydrophobicContact CD2-CB 4.16Å; L279-P287 HydrophobicContact CD2-CG 3.99Å |
| 280 | D | 95.4 | Very high | 94 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 118.9 | 165.7 | -175.9 | -26.6 | 0 | 0 | 0 | 108.1 | N264 Y265 R282 L283 V288 | N264-D280 CarbonylContact O-C 3.43Å; N264-D280 WeakPolarHBondContact O-CA 3.47Å; Y265-D280 HydrophobicContact CD1-CB 4.24Å; Y265-D280 HydrophobicContact CE1-CB 4.04Å; D280-R282 PolarHBondContact O-N 3.37Å; D280-R282 VanDerWaalsContact OD1-CB 3.23Å; D280-R282 WeakPolarHBondContact OD1-CB 3.37Å; D280-R282 WeakPolarHBondContact OD1-CG 3.38Å; D280-R282 IonicContact OD1-CZ 3.18Å; D280-R282 PolarHBondContact OD1-N 3.38Å; D280-R282 IonicContact OD1-NE 2.65Å; D280-R282 PolarHBondContact OD1-NE 2.77Å; D280-R282 IonicContact OD1-NH2 2.74Å; D280-R282 IonicContact OD2-CZ 3.86Å; D280-R282 IonicContact OD2-NE 2.92Å; D280-R282 PolarHBondContact OD2-NE 3.48Å; D280-R282 IonicContact OD2-NH2 3.92Å; D280-R282 PolarHBondContact OD2-NH2 3.4Å; D280-L283 HydrophobicContact CB-CB 4.33Å; D280-L283 HydrophobicContact CB-CD1 4.44Å; D280-L283 HydrophobicContact CB-CG 4.46Å; D280-L283 CarbonylContact O-C 3.55Å; D280-L283 WeakPolarHBondContact O-CA 3.35Å; D280-L283 PolarHBondContact O-N 2.73Å; D280-V288 HydrophobicContact CB-CG1 3.57Å; D280-V288 HydrophobicContact CB-CG2 4.36Å |
| 281 | I | 94.5 | Very high | 94 | Very high | 22 Ų | 22 | 45.8 Ų | 45.8 | 11% | 0.113 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -16.8 | -176.2 | 70.2 | 179.8 | 0 | 0 | 0 | 113.1 | I244 W258 P263 N264 I266 L283 | I244-I281 HydrophobicContact CD1-CB 4.16Å; I244-I281 HydrophobicContact CD1-CG2 3.88Å; W258-I281 HydrophobicContact CZ2-CD1 4.26Å; W258-I281 HydrophobicContact CZ2-CG2 4.38Å; P263-I281 WeakPolarHBondContact O-CD1 3.08Å; N264-I281 PolarHBondContact O-N 2.7Å; I266-I281 HydrophobicContact CD1-CG2 3.6Å; I266-I281 HydrophobicContact CG1-CG2 3.98Å; I281-L283 VanDerWaalsContact C-N 3.33Å |
| 282 | R | 93.6 | Very high | 94 | Very high | 138 Ų | 138 | 48.9 Ų | 48.9 | 52% | 0.521 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -16.4 | 176.1 | -54 | 169.7 | -67 | -168.5 | 0.5 | 112.1 | N264 D280 P284 | N264-R282 WeakPolarHBondContact OD1-CD 3.45Å; D280-R282 PolarHBondContact O-N 3.37Å; D280-R282 VanDerWaalsContact OD1-CB 3.23Å; D280-R282 WeakPolarHBondContact OD1-CB 3.37Å; D280-R282 WeakPolarHBondContact OD1-CG 3.38Å; D280-R282 IonicContact OD1-CZ 3.18Å; D280-R282 PolarHBondContact OD1-N 3.38Å; D280-R282 IonicContact OD1-NE 2.65Å; D280-R282 PolarHBondContact OD1-NE 2.77Å; D280-R282 IonicContact OD1-NH2 2.74Å; D280-R282 IonicContact OD2-CZ 3.86Å; D280-R282 IonicContact OD2-NE 2.92Å; D280-R282 PolarHBondContact OD2-NE 3.48Å; D280-R282 IonicContact OD2-NH2 3.92Å; D280-R282 PolarHBondContact OD2-NH2 3.4Å; R282-P284 VanDerWaalsContact C-CD 3.49Å; R282-P284 WeakPolarHBondContact O-CD 3.18Å |
| 283 | L | 93.8 | Very high | 94.1 | Very high | 97 Ų | 97 | 46 Ų | 46 | 51% | 0.508 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -121.5 | 70.5 | -179 | -59.3 | 178.1 | 0 | 0 | 0 | 109.7 | D280 I281 V288 | D280-L283 HydrophobicContact CB-CB 4.33Å; D280-L283 HydrophobicContact CB-CD1 4.44Å; D280-L283 HydrophobicContact CB-CG 4.46Å; D280-L283 CarbonylContact O-C 3.55Å; D280-L283 WeakPolarHBondContact O-CA 3.35Å; D280-L283 PolarHBondContact O-N 2.73Å; I281-L283 VanDerWaalsContact C-N 3.33Å; L283-V288 HydrophobicContact CD1-CG1 4.1Å |
| 284 | P | 91.2 | Very high | 94 | Very high | 67 Ų | 67 | 44.5 Ų | 44.5 | 44% | 0.435 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 154.5 | -178.4 | 27.6 | -35.5 | 0 | 0 | 0 | 111.9 | R282 T286 | R282-P284 VanDerWaalsContact C-CD 3.49Å; R282-P284 WeakPolarHBondContact O-CD 3.18Å; P284-T286 PolarHBondContact O-N 2.86Å; P284-T286 VanDerWaalsContact O-N 3.15Å |
| 285 | C | 91.6 | Very high | 93.8 | Very high | 89 Ų | 89 | 51.9 Ų | 51.9 | 60% | 0.601 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | -4.2 | 178.5 | -51 | 0 | 0 | 0 | 0 | 116 | I244 | I244-C285 WeakPolarHBondContact O-CA 3.41Å; I244-C285 PolarHBondContact O-N 2.81Å |
| 286 | T | 93.3 | Very high | 93.5 | Very high | 90 Ų | 90 | 50.1 Ų | 50.1 | 55% | 0.552 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -128.7 | 117 | -178.3 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | P284 | P284-T286 PolarHBondContact O-N 2.86Å; P284-T286 VanDerWaalsContact O-N 3.15Å |
| 287 | P | 95.3 | Very high | 93.2 | Very high | 30 Ų | 30 | 51.1 Ų | 51.1 | 20% | 0.195 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 139 | 170.5 | -25.8 | 37.1 | 0 | 0 | 0 | 112.6 | Y245 I277 I278 L279 | Y245-P287 HydrophobicContact CD2-CG 3.92Å; Y245-P287 HydrophobicContact CE2-CG 3.51Å; I277-P287 HydrophobicContact CG2-CB 3.77Å; I277-P287 HydrophobicContact CG2-CG 3.71Å; I278-P287 CarbonylContact O-C 3.51Å; I278-P287 WeakPolarHBondContact O-CA 3.32Å; L279-P287 HydrophobicContact CD2-CB 4.16Å; L279-P287 HydrophobicContact CD2-CG 3.99Å |
| 288 | V | 95.5 | Very high | 93 | Very high | 30 Ų | 30 | 51 Ų | 51 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -22.9 | 176.4 | -66.7 | 0 | 0 | 0 | 0 | 112.7 | Y265 I278 D280 L283 M345 | Y265-V288 HydrophobicContact CD1-CG2 4.26Å; Y265-V288 HydrophobicContact CE1-CG2 4.12Å; I278-V288 HydrophobicContact CB-CG2 4.16Å; I278-V288 HydrophobicContact CG2-CG2 3.77Å; I278-V288 WeakPolarHBondContact O-CG2 3.43Å; I278-V288 PolarHBondContact O-N 2.82Å; D280-V288 HydrophobicContact CB-CG1 3.57Å; D280-V288 HydrophobicContact CB-CG2 4.36Å; L283-V288 HydrophobicContact CD1-CG1 4.1Å; V288-M345 HydrophobicContact CG2-CE 4.37Å; V288-M345 HydrophobicContact CG2-SD 4.06Å |
| 289 | A | 95.5 | Very high | 92.5 | Very high | 17 Ų | 17 | 52 Ų | 52 | 14% | 0.14 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 161.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I278 M345 I349 | I278-A289 HydrophobicContact CB-CB 4.12Å; I278-A289 HydrophobicContact CG1-CB 4.21Å; I278-A289 PolarHBondContact N-O 3.25Å; I278-A289 PolarHBondContact O-N 2.71Å; A289-M345 HydrophobicContact CB-CG 3.9Å; A289-M345 HydrophobicContact CB-SD 3.37Å; A289-M345 WeakPolarHBondContact CB-SD 2.94Å; A289-I349 HydrophobicContact CB-CD1 4.42Å |
| 290 | R | 94.9 | Very high | 92.3 | Very high | 105 Ų | 105 | 52.1 Ų | 52.1 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 118 | 174.5 | -71 | -179.4 | -179.8 | -86.9 | 5 | 107.2 | Y245 E275 V276 | Y245-R290 PolarHBondContact OH-NH2 2.88Å; E275-R290 VanDerWaalsContact CD-CB 3.47Å; E275-R290 HydrophobicContact CG-CB 3.94Å; E275-R290 HydrophobicContact CG-CG 4.47Å; E275-R290 WeakPolarHBondContact OE1-CB 3.27Å; E275-R290 WeakPolarHBondContact OE1-CD 3.23Å; E275-R290 WeakPolarHBondContact OE1-CG 3.28Å; E275-R290 IonicContact OE1-CZ 3.92Å; E275-R290 IonicContact OE1-NE 2.69Å; E275-R290 IonicContact OE1-NH1 3.22Å; E275-R290 PolarHBondContact OE1-NH1 3Å; V276-R290 CarbonylContact O-C 3.58Å; V276-R290 WeakPolarHBondContact O-CA 3.48Å |
| 291 | L | 95.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 119.8 | -179.2 | -51.1 | 176.4 | 0 | 0 | 0 | 108.3 | E275 V276 I278 I311 W340 I342 I349 | E275-L291 VanDerWaalsContact CA-O 3.32Å; E275-L291 WeakPolarHBondContact CA-O 3.24Å; V276-L291 HydrophobicContact CB-CB 4.2Å; V276-L291 HydrophobicContact CB-CD1 4.37Å; V276-L291 PolarHBondContact N-O 3.26Å; V276-L291 PolarHBondContact O-N 3.41Å; I278-L291 HydrophobicContact CD1-CD1 4.13Å; I278-L291 HydrophobicContact CG1-CD1 4.33Å; I278-L291 HydrophobicContact CG1-CG 4.31Å; L291-I311 HydrophobicContact CD1-CG2 3.85Å; L291-W340 HydrophobicContact CB-CD2 4.12Å; L291-W340 HydrophobicContact CB-CE3 4.12Å; L291-W340 HydrophobicContact CB-CH2 3.92Å; L291-W340 HydrophobicContact CB-CZ2 4Å; L291-W340 HydrophobicContact CB-CZ3 4.03Å; L291-W340 HydrophobicContact CD1-CB 4.06Å; L291-W340 HydrophobicContact CD1-CD2 3.93Å; L291-W340 HydrophobicContact CD1-CE3 4.45Å; L291-W340 HydrophobicContact CD1-CG 3.74Å; L291-W340 HydrophobicContact CD2-CD2 4.31Å; L291-W340 HydrophobicContact CD2-CE3 4.01Å; L291-W340 HydrophobicContact CD2-CZ3 4.45Å; L291-W340 HydrophobicContact CG-CD2 4.35Å; L291-W340 HydrophobicContact CG-CE3 4.42Å; L291-I342 HydrophobicContact CD2-CG2 4.28Å; L291-I349 HydrophobicContact CD2-CB 4.02Å; L291-I349 HydrophobicContact CD2-CD1 3.66Å; L291-I349 HydrophobicContact CD2-CG2 4.09Å |
| 292 | N | 92 | Very high | 92.4 | Very high | 89 Ų | 89 | 52.9 Ų | 52.9 | 48% | 0.476 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 93.6 | -172.7 | -166.8 | -2.6 | 0 | 0 | 0 | 111.3 | T274 E275 | T274-N292 PolarHBondContact OG1-OD1 2.8Å; E275-N292 HydrophobicContact CG-CB 4.3Å |
| 293 | N | 90.3 | Very high | 92.6 | Very high | 53 Ų | 53 | 46.9 Ų | 46.9 | 28% | 0.283 | 25% | 0.248 | S | C | . | . | trans | -144.5 | -19.3 | 177.2 | -159.5 | -75.1 | 0 | 0 | 0 | 111.9 | L338 W340 E350 D351 | N293-L338 HydrophobicContact CB-CD1 4.13Å; N293-W340 HydrophobicContact CB-CH2 3.3Å; N293-W340 HydrophobicContact CB-CZ2 4.06Å; N293-W340 HydrophobicContact CB-CZ3 4.05Å; N293-E350 PolarHBondContact ND2-O 2.88Å; N293-D351 PolarHBondContact ND2-OD1 3.13Å | ||
| 294 | H | 90.3 | Very high | 92.7 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | trans | -54.7 | 144.8 | 169.9 | -80 | -73.4 | 0 | 0 | 0 | 111.8 | V298 T313 G315 D334 Q336 | H294-V298 HydrophobicContact CB-CG2 4Å; H294-V298 VanDerWaalsContact CD2-CG2 3.46Å; H294-V298 WeakPolarHBondContact CD2-CG2 3.47Å; H294-T313 WeakPolarHBondContact NE2-CB 3.41Å; H294-T313 PolarHBondContact NE2-OG1 2.85Å; H294-G315 PolarHBondContact CE1-N 2.78Å; H294-D334 WeakPolarHBondContact CA-OD2 3.41Å; H294-D334 VanDerWaalsContact CB-OD2 3.3Å; H294-D334 WeakPolarHBondContact CB-OD2 3.31Å; H294-D334 IonicContact CE1-OD2 2.71Å; H294-D334 IonicContact CG-OD2 3.6Å; H294-D334 IonicContact ND1-OD1 3.9Å; H294-D334 IonicContact ND1-OD2 3.17Å; H294-D334 PolarHBondContact ND1-OD2 3.16Å; H294-Q336 PolarHBondContact CE1-O 2.92Å | ||
| 295 | R | 87.8 | Confident | 92.9 | Very high | 202 Ų | 202 | 41 Ų | 41 | 76% | 0.762 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -101.7 | -7.1 | -179.6 | -57.7 | 179.9 | -178 | -178.2 | 0.8 | 112.6 | D334 | R295-D334 HydrophobicContact CB-CB 3.92Å; R295-D334 PolarHBondContact N-OD2 3.07Å |
| 296 | A | 86.8 | Confident | 93 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.017 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -135.2 | 178.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | T274 E316 A332 D334 | T274-A296 WeakPolarHBondContact CG2-O 3.28Å; A296-E316 VanDerWaalsContact CB-O 3.29Å; A296-E316 WeakPolarHBondContact CB-O 3.43Å; A296-A332 WeakPolarHBondContact CB-O 3.48Å; A296-D334 HydrophobicContact CB-CB 4.17Å |
| 297 | C | 89.3 | Confident | 93.1 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 14% | 0.135 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 141 | -175.7 | -61.3 | 0 | 0 | 0 | 0 | 110.8 | D272 T273 G315 E316 S318 | D272-C297 VanDerWaalsContact C-SG 3.56Å; D272-C297 VanDerWaalsContact CA-SG 3.53Å; T273-C297 CarbonylContact O-C 3.5Å; T273-C297 VanDerWaalsContact O-CA 3.25Å; T273-C297 WeakPolarHBondContact O-CA 3.5Å; C297-G315 CarbonylContact O-C 3.57Å; C297-G315 VanDerWaalsContact O-CA 3.24Å; C297-G315 WeakPolarHBondContact O-CA 3.27Å; C297-E316 PolarHBondContact N-O 3.31Å; C297-E316 PolarHBondContact O-N 3.15Å; C297-S318 VanDerWaalsContact SG-CB 3.55Å |
| 298 | V | 91.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 136.5 | 176 | -166.5 | 0 | 0 | 0 | 0 | 109 | I269 T273 T274 V276 H294 A314 | I269-V298 HydrophobicContact CD1-CB 4.03Å; I269-V298 HydrophobicContact CD1-CG1 3.57Å; I269-V298 HydrophobicContact CG1-CB 4.34Å; I269-V298 HydrophobicContact CG1-CG1 4.18Å; I269-V298 HydrophobicContact CG2-CB 4.08Å; I269-V298 WeakPolarHBondContact CG2-O 3.46Å; T273-V298 PolarHBondContact O-N 2.84Å; T274-V298 WeakPolarHBondContact O-CG2 3.45Å; V276-V298 HydrophobicContact CG2-CB 4.33Å; V276-V298 HydrophobicContact CG2-CG1 3.85Å; V276-V298 HydrophobicContact CG2-CG2 4.18Å; H294-V298 HydrophobicContact CB-CG2 4Å; H294-V298 VanDerWaalsContact CD2-CG2 3.46Å; H294-V298 WeakPolarHBondContact CD2-CG2 3.47Å; V298-A314 VanDerWaalsContact CG1-O 3.27Å; V298-A314 WeakPolarHBondContact CG1-O 3.37Å |
| 299 | N | 88.6 | Confident | 93.1 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 11% | 0.107 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | -14.1 | 173.1 | -164.3 | 22.9 | 0 | 0 | 0 | 113.7 | R255 A314 E316 | R255-N299 PolarHBondContact NH2-OD1 2.91Å; N299-A314 PolarHBondContact N-O 2.57Å; N299-E316 HydrophobicContact CB-CB 3.97Å; N299-E316 WeakPolarHBondContact CB-OE2 3.22Å; N299-E316 VanDerWaalsContact CG-OE2 3.31Å; N299-E316 PolarHBondContact ND2-OE2 2.93Å |
| 300 | G | 91.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 134.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T313 A314 | G300-T313 CarbonylContact O-C 3.58Å; G300-T313 WeakPolarHBondContact O-CA 3.34Å; G300-A314 PolarHBondContact N-O 2.79Å; G300-A314 VanDerWaalsContact N-O 3.08Å; G300-A314 PolarHBondContact O-N 2.92Å |
| 301 | I | 95.9 | Very high | 93.2 | Very high | 21 Ų | 21 | 34.6 Ų | 34.6 | 11% | 0.108 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 128.8 | 169.9 | 40.8 | 169.4 | 0 | 0 | 0 | 110 | R255 A257 A267 I269 V276 I311 C312 T313 | R255-I301 HydrophobicContact CB-CD1 3.76Å; R255-I301 HydrophobicContact CB-CG1 3.82Å; A257-I301 HydrophobicContact CB-CB 4.19Å; A257-I301 HydrophobicContact CB-CD1 3.69Å; A257-I301 HydrophobicContact CB-CG1 3.93Å; A267-I301 HydrophobicContact CB-CD1 4.24Å; A267-I301 WeakPolarHBondContact O-CD1 3.46Å; I269-I301 HydrophobicContact CD1-CB 4.19Å; I269-I301 HydrophobicContact CD1-CD1 4.21Å; I269-I301 HydrophobicContact CD1-CG1 3.82Å; I269-I301 HydrophobicContact CD1-CG2 3.59Å; I269-I301 HydrophobicContact CG1-CD1 4.21Å; I269-I301 HydrophobicContact CG1-CG1 4.35Å; I269-I301 HydrophobicContact CG1-CG2 3.85Å; V276-I301 HydrophobicContact CB-CG2 4.5Å; V276-I301 HydrophobicContact CG1-CG2 3.65Å; V276-I301 HydrophobicContact CG2-CG2 4Å; I301-I311 HydrophobicContact CG2-CD1 4.46Å; I301-C312 WeakPolarHBondContact CA-O 3.45Å; I301-T313 HydrophobicContact CG2-CG2 3.99Å |
| 302 | V | 96.8 | Very high | 93.3 | Very high | 23 Ų | 23 | 34.6 Ų | 34.6 | 14% | 0.139 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 127.8 | 174.9 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | I311 C312 V365 W367 | V302-I311 WeakPolarHBondContact O-CG1 3.2Å; V302-C312 HydrophobicContact CG1-CB 3.84Å; V302-C312 PolarHBondContact N-O 3.08Å; V302-C312 PolarHBondContact O-N 3.13Å; V302-V365 HydrophobicContact CG1-CG1 4.03Å; V302-V365 HydrophobicContact CG1-CG2 4.05Å; V302-W367 HydrophobicContact CG1-CB 4.4Å; V302-W367 HydrophobicContact CG2-CB 3.99Å |
| 303 | W | 97.4 | Very high | 93.5 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 5% | 0.049 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 144 | 174.1 | -68.9 | 97.4 | 0 | 0 | 0 | 111.2 | A257 W258 N259 A267 I278 I311 I342 | A257-W303 PolarHBondContact O-NE1 3.5Å; W258-W303 VanDerWaalsContact C-CD1 3.43Å; N259-W303 HydrophobicContact CB-CD2 3.66Å; N259-W303 HydrophobicContact CB-CE3 4.03Å; N259-W303 HydrophobicContact CB-CG 3.97Å; N259-W303 HydrophobicContact CB-CH2 4.47Å; N259-W303 HydrophobicContact CB-CZ2 4.12Å; N259-W303 HydrophobicContact CB-CZ3 4.43Å; N259-W303 VanDerWaalsContact ND2-CE3 3.27Å; N259-W303 VanDerWaalsContact ND2-CZ3 3.34Å; N259-W303 WeakPolarHBondContact ND2-CZ3 3.43Å; A267-W303 HydrophobicContact CB-CZ2 3.85Å; I278-W303 HydrophobicContact CD1-CH2 4.18Å; I278-W303 HydrophobicContact CD1-CZ2 4.21Å; I278-W303 HydrophobicContact CG2-CH2 4.26Å; W303-I311 HydrophobicContact CD2-CB 4.25Å; W303-I311 HydrophobicContact CD2-CD1 4.04Å; W303-I311 HydrophobicContact CD2-CG1 4.19Å; W303-I311 HydrophobicContact CE3-CB 3.83Å; W303-I311 HydrophobicContact CE3-CD1 4.35Å; W303-I311 HydrophobicContact CE3-CG1 4.29Å; W303-I311 HydrophobicContact CH2-CD1 4.28Å; W303-I311 HydrophobicContact CZ2-CD1 3.98Å; W303-I311 HydrophobicContact CZ3-CB 3.99Å; W303-I311 HydrophobicContact CZ3-CD1 4.44Å; W303-I342 HydrophobicContact CH2-CD1 3.66Å; W303-I342 HydrophobicContact CZ3-CD1 3.58Å; W303-I342 HydrophobicContact CZ3-CG1 4.24Å |
| 304 | A | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -65.8 | 135.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | H306 H310 W367 | A304-H306 PolarHBondContact O-N 2.97Å; A304-H310 HydrophobicContact CB-CB 3.58Å; A304-H310 WeakPolarHBondContact CB-O 3.48Å; A304-H310 PolarHBondContact N-O 3.46Å; A304-W367 HydrophobicContact CB-CD2 4.02Å; A304-W367 HydrophobicContact CB-CE3 3.86Å; A304-W367 HydrophobicContact CB-CH2 3.88Å; A304-W367 HydrophobicContact CB-CZ2 4.05Å; A304-W367 HydrophobicContact CB-CZ3 3.77Å | ||
| 305 | P | 94.2 | Very high | 92.9 | Very high | 40 Ų | 40 | 27.5 Ų | 27.5 | 26% | 0.26 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -14.7 | -178.3 | 30 | -35.5 | 0 | 0 | 0 | 113.1 | V261 W367 Q369 P372 | V261-P305 WeakPolarHBondContact CG2-O 3.34Å; P305-W367 HydrophobicContact CG-CG 4.22Å; P305-Q369 HydrophobicContact CB-CB 4.49Å; P305-P372 HydrophobicContact CG-CB 4.17Å |
| 306 | H | 93.9 | Very high | 92 | Very high | 96 Ų | 96 | 20.8 Ų | 20.8 | 44% | 0.444 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -7.2 | -173.9 | 63.5 | -91.6 | 0 | 0 | 0 | 113.8 | A304 H310 W367 P372 | A304-H306 PolarHBondContact O-N 2.97Å; H306-H310 AromaticContact NE2-ND1 3.88Å; H306-W367 AromaticContact CE1-CE2 3.84Å; H306-W367 AromaticContact CE1-CZ2 3.52Å; H306-W367 AromaticContact CE1-NE1 3.92Å; H306-P372 HydrophobicContact CB-CB 3.81Å; H306-P372 HydrophobicContact CB-CG 4.49Å; H306-P372 PolarHBondContact CE1-O 2.64Å; H306-P372 VanDerWaalsContact ND1-CB 3.29Å; H306-P372 WeakPolarHBondContact ND1-CB 3.46Å; H306-P372 PolarHBondContact ND1-O 3.16Å |
| 307 | S | 95.7 | Very high | 90.6 | Very high | 18 Ų | 18 | 22.9 Ų | 22.9 | 13% | 0.126 | 13% | 0.126 | C | C | . | . | trans | -135.8 | 133.5 | -177.2 | 175.6 | 0 | 0 | 0 | 0 | 110 | S309 H310 | S307-S309 PolarHBondContact O-N 2.84Å; S307-S309 PolarHBondContact OG-N 2.82Å; S307-S309 PolarHBondContact OG-OG 3.3Å; S307-H310 WeakPolarHBondContact CB-ND1 3.35Å; S307-H310 PolarHBondContact OG-N 3.31Å | ||
| 308 | S | 95.3 | Very high | 88.8 | Confident | 52 Ų | 52 | 23.3 Ų | 23.3 | 36% | 0.364 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -74.1 | -11.3 | 170.3 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | N259 | N259-S308 PolarHBondContact ND2-O 2.97Š|
| 309 | S | 95.9 | Very high | 86.4 | Confident | 15 Ų | 15 | 28.9 Ų | 28.9 | 11% | 0.105 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -113.7 | -4.8 | -175.4 | 73.5 | 0 | 0 | 0 | 0 | 115.1 | S307 D341 I342 | S307-S309 PolarHBondContact O-N 2.84Å; S307-S309 PolarHBondContact OG-N 2.82Å; S307-S309 PolarHBondContact OG-OG 3.3Å; S309-D341 VanDerWaalsContact CB-OD1 3.28Å; S309-D341 WeakPolarHBondContact CB-OD1 3.46Å; S309-D341 WeakPolarHBondContact O-CA 3.5Å; S309-D341 PolarHBondContact OG-OD1 2.85Å; S309-I342 VanDerWaalsContact CA-CG1 3.48Å; S309-I342 WeakPolarHBondContact O-CG1 3.45Å; S309-I342 PolarHBondContact O-N 2.85Å |
| 310 | H | 96.7 | Very high | 84.3 | Confident | 46 Ų | 46 | 34 Ų | 34 | 21% | 0.213 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 133.3 | 179 | -60.4 | 155.1 | 0 | 0 | 0 | 111.8 | A304 H306 S307 W340 D341 | A304-H310 HydrophobicContact CB-CB 3.58Å; A304-H310 WeakPolarHBondContact CB-O 3.48Å; A304-H310 PolarHBondContact N-O 3.46Å; H306-H310 AromaticContact NE2-ND1 3.88Å; S307-H310 WeakPolarHBondContact CB-ND1 3.35Å; S307-H310 PolarHBondContact OG-N 3.31Å; H310-W340 WeakPolarHBondContact CA-O 3.33Å; H310-D341 IonicContact CD2-OD1 3.77Å |
| 311 | I | 96.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 141.3 | 174.5 | -172.4 | 173.4 | 0 | 0 | 0 | 109.1 | A267 I278 L291 I301 V302 W303 I339 W340 I342 | A267-I311 HydrophobicContact CB-CD1 3.56Å; I278-I311 HydrophobicContact CD1-CD1 4.17Å; L291-I311 HydrophobicContact CD1-CG2 3.85Å; I301-I311 HydrophobicContact CG2-CD1 4.46Å; V302-I311 WeakPolarHBondContact O-CG1 3.2Å; W303-I311 HydrophobicContact CD2-CB 4.25Å; W303-I311 HydrophobicContact CD2-CD1 4.04Å; W303-I311 HydrophobicContact CD2-CG1 4.19Å; W303-I311 HydrophobicContact CE3-CB 3.83Å; W303-I311 HydrophobicContact CE3-CD1 4.35Å; W303-I311 HydrophobicContact CE3-CG1 4.29Å; W303-I311 HydrophobicContact CH2-CD1 4.28Å; W303-I311 HydrophobicContact CZ2-CD1 3.98Å; W303-I311 HydrophobicContact CZ3-CB 3.99Å; W303-I311 HydrophobicContact CZ3-CD1 4.44Å; I311-I339 WeakPolarHBondContact O-CA 3.42Å; I311-W340 HydrophobicContact CG2-CB 3.8Å; I311-W340 HydrophobicContact CG2-CG 4.24Å; I311-W340 PolarHBondContact N-O 2.85Å; I311-W340 PolarHBondContact O-N 3.29Å; I311-I342 HydrophobicContact CG2-CG2 4.39Å |
| 312 | C | 96.5 | Very high | 79.3 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 138.1 | 172.4 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | I301 V302 L338 I339 W367 I375 | I301-C312 WeakPolarHBondContact CA-O 3.45Å; V302-C312 HydrophobicContact CG1-CB 3.84Å; V302-C312 PolarHBondContact N-O 3.08Å; V302-C312 PolarHBondContact O-N 3.13Å; C312-L338 CarbonylContact C-O 3.48Å; C312-L338 VanDerWaalsContact CA-O 3.23Å; C312-L338 WeakPolarHBondContact CA-O 3.29Å; C312-I339 HydrophobicContact CB-CG1 4.34Å; C312-W367 HydrophobicContact CB-CE3 3.97Å; C312-W367 HydrophobicContact CB-CZ3 3.85Å; C312-I375 HydrophobicContact CB-CD1 4.06Å |
| 313 | T | 95.5 | Very high | 76.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 147.8 | -179.3 | 64.1 | 0 | 0 | 0 | 0 | 110 | V276 H294 G300 I301 A337 L338 W340 | V276-T313 HydrophobicContact CB-CG2 4.36Å; V276-T313 HydrophobicContact CG1-CG2 4.45Å; V276-T313 HydrophobicContact CG2-CG2 3.65Å; H294-T313 WeakPolarHBondContact NE2-CB 3.41Å; H294-T313 PolarHBondContact NE2-OG1 2.85Å; G300-T313 CarbonylContact O-C 3.58Å; G300-T313 WeakPolarHBondContact O-CA 3.34Å; I301-T313 HydrophobicContact CG2-CG2 3.99Å; T313-A337 CarbonylContact O-C 3.55Å; T313-A337 VanDerWaalsContact O-CA 3.29Å; T313-A337 WeakPolarHBondContact O-CA 3.23Å; T313-L338 PolarHBondContact N-O 3.4Å; T313-L338 PolarHBondContact O-N 2.89Å; T313-W340 PolarHBondContact OG1-NE1 2.85Å |
| 314 | A | 90.8 | Very high | 74.1 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 135.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | V298 N299 G300 Q336 I362 V365 | V298-A314 VanDerWaalsContact CG1-O 3.27Å; V298-A314 WeakPolarHBondContact CG1-O 3.37Å; N299-A314 PolarHBondContact N-O 2.57Å; G300-A314 PolarHBondContact N-O 2.79Å; G300-A314 VanDerWaalsContact N-O 3.08Å; G300-A314 PolarHBondContact O-N 2.92Å; A314-Q336 WeakPolarHBondContact CA-O 3.43Å; A314-I362 HydrophobicContact CB-CB 4.04Å; A314-I362 HydrophobicContact CB-CD1 4.3Å; A314-I362 HydrophobicContact CB-CG2 3.65Å; A314-V365 HydrophobicContact CB-CB 4.15Å; A314-V365 HydrophobicContact CB-CG1 3.87Å |
| 315 | G | 78.3 | Confident | 71.5 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 145.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | H294 C297 D334 Q336 | H294-G315 PolarHBondContact CE1-N 2.78Å; C297-G315 CarbonylContact O-C 3.57Å; C297-G315 VanDerWaalsContact O-CA 3.24Å; C297-G315 WeakPolarHBondContact O-CA 3.27Å; G315-D334 WeakPolarHBondContact CA-OD1 3.4Å; G315-Q336 PolarHBondContact N-O 2.93Å; G315-Q336 VanDerWaalsContact N-O 3.13Å |
| 316 | E | 68.9 | Low | 68.5 | Low | 60 Ų | 60 | 59.9 Ų | 59.9 | 28% | 0.28 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 157.8 | 173.8 | -176.8 | 177.9 | 168.2 | 0 | 0 | 110.5 | A296 C297 N299 S318 | A296-E316 VanDerWaalsContact CB-O 3.29Å; A296-E316 WeakPolarHBondContact CB-O 3.43Å; C297-E316 PolarHBondContact N-O 3.31Å; C297-E316 PolarHBondContact O-N 3.15Å; N299-E316 HydrophobicContact CB-CB 3.97Å; N299-E316 WeakPolarHBondContact CB-OE2 3.22Å; N299-E316 VanDerWaalsContact CG-OE2 3.31Å; N299-E316 PolarHBondContact ND2-OE2 2.93Å; E316-S318 PolarHBondContact O-N 2.86Å |
| 317 | L | 57.6 | Low | 65.7 | Low | 46 Ų | 46 | 62.7 Ų | 62.7 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | trans | -48.2 | 125.2 | 171.3 | -176.4 | 71.2 | 0 | 0 | 0 | 112.8 | N319 D333 E361 | L317-N319 VanDerWaalsContact CD2-CG 3.45Å; L317-N319 VanDerWaalsContact CD2-ND2 3.27Å; L317-N319 WeakPolarHBondContact CD2-ND2 3.23Å; L317-N319 VanDerWaalsContact CD2-OD1 3.28Å; L317-N319 WeakPolarHBondContact CD2-OD1 3.31Å; L317-N319 PolarHBondContact O-N 3.24Å; L317-N319 VanDerWaalsContact O-N 3.16Å; L317-D333 HydrophobicContact CD1-CB 4.45Å; L317-E361 HydrophobicContact CB-CG 4.1Å; L317-E361 WeakPolarHBondContact CB-OE1 3.05Å; L317-E361 WeakPolarHBondContact CB-OE2 3.46Å; L317-E361 WeakPolarHBondContact CD2-OE1 3.31Å | ||
| 318 | S | 50 | Low | 62.5 | Low | 30 Ų | 30 | 69 Ų | 69 | 21% | 0.21 | 41% | 0.409 | C | S | . | . | trans | -80.1 | 88.6 | 163.2 | 63 | 0 | 0 | 0 | 0 | 109.9 | C297 E316 L320 R329 | C297-S318 VanDerWaalsContact SG-CB 3.55Å; E316-S318 PolarHBondContact O-N 2.86Å; S318-L320 PolarHBondContact O-N 2.9Å; S318-R329 PolarHBondContact O-NH1 2.85Å; S318-R329 PolarHBondContact OG-NH1 3.03Å | ||
| 319 | N | 42.3 | Very low | 59.4 | Low | 120 Ų | 120 | 73.5 Ų | 73.5 | 64% | 0.642 | 42% | 0.418 | S | S | * | . | trans | -78.1 | 103.2 | 164.8 | -86.4 | -31.6 | 0 | 0 | 0 | 108.9 | L317 | L317-N319 VanDerWaalsContact CD2-CG 3.45Å; L317-N319 VanDerWaalsContact CD2-ND2 3.27Å; L317-N319 WeakPolarHBondContact CD2-ND2 3.23Å; L317-N319 VanDerWaalsContact CD2-OD1 3.28Å; L317-N319 WeakPolarHBondContact CD2-OD1 3.31Å; L317-N319 PolarHBondContact O-N 3.24Å; L317-N319 VanDerWaalsContact O-N 3.16Å | ||
| 320 | L | 43.8 | Very low | 56.2 | Low | 128 Ų | 128 | 79.9 Ų | 79.9 | 67% | 0.67 | 45% | 0.45 | S | S | * | . | trans | 178.1 | 123.4 | 140.7 | -93.7 | 156.3 | 0 | 0 | 0 | 110.9 | S318 R329 | S318-L320 PolarHBondContact O-N 2.9Å; L320-R329 PolarHBondContact O-NH2 3.18Å | ||
| 321 | P | 38.6 | Very low | 53 | Low | 77 Ų | 77 | 82.7 Ų | 82.7 | 50% | 0.5 | 48% | 0.475 | S | S | . | . | trans | -81.1 | 130.5 | 141.5 | 23.7 | -9.9 | 0 | 0 | 0 | 108.3 | Q325 | P321-Q325 WeakPolarHBondContact CB-O 3.39Š| ||
| 322 | G | 45 | Very low | 50.4 | Low | 45 Ų | 45 | 84.8 Ų | 84.8 | 46% | 0.464 | 49% | 0.492 | S | S | . | . | trans | -56.8 | 161.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G324 Q325 | G322-G324 PolarHBondContact O-N 3.12Å; G322-Q325 PolarHBondContact O-N 3.39Å | ||
| 323 | P | 35.6 | Very low | 48.6 | Very low | 150 Ų | 150 | 86.7 Ų | 86.7 | 97% | 0.974 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 112.2 | -178.9 | 23.9 | -31.4 | 0 | 0 | 0 | 110 | ||
| 324 | G | 48 | Very low | 47.7 | Very low | 81 Ų | 81 | 87.3 Ų | 87.3 | 84% | 0.835 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122.8 | -1.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | G322 | G322-G324 PolarHBondContact O-N 3.12Š|
| 325 | Q | 42 | Very low | 47.6 | Very low | 138 Ų | 138 | 89.3 Ų | 89.3 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | trans | -113.1 | 105.3 | 175.4 | -91.2 | 177.2 | 4.9 | 0 | 0 | 112.8 | P321 G322 Q327 | P321-Q325 WeakPolarHBondContact CB-O 3.39Å; G322-Q325 PolarHBondContact O-N 3.39Å; Q325-Q327 PolarHBondContact O-N 2.77Å | ||
| 326 | V | 31.3 | Very low | 48.2 | Very low | 153 Ų | 153 | 90.8 Ų | 90.8 | 93% | 0.927 | 52% | 0.521 | S | S | * | . | trans | -86.5 | 94.2 | 161.3 | 179.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 327 | Q | 34.9 | Very low | 49.4 | Very low | 155 Ų | 155 | 88.2 Ų | 88.2 | 72% | 0.724 | 51% | 0.51 | S | S | * | . | trans | -123.8 | 123.7 | 167.1 | -164.9 | 136.3 | 10.9 | 0 | 0 | 109.2 | Q325 R329 | Q325-Q327 PolarHBondContact O-N 2.77Å; Q327-R329 PolarHBondContact O-N 3.2Å | ||
| 328 | I | 29.5 | Very low | 51.1 | Low | 151 Ų | 151 | 86 Ų | 86 | 77% | 0.774 | 50% | 0.499 | S | S | * | . | trans | -57.6 | 98.9 | 176.8 | -60.5 | 168.5 | 0 | 0 | 0 | 107.7 | L330 | I328-L330 HydrophobicContact CG2-CG 4.42Å; I328-L330 PolarHBondContact O-N 3.04Å | ||
| 329 | R | 30 | Very low | 53.3 | Low | 146 Ų | 146 | 85 Ų | 85 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | trans | -82.8 | 104 | 174.9 | -74.7 | -165.5 | 178.3 | -149.2 | 5 | 109.2 | S318 L320 Q327 | S318-R329 PolarHBondContact O-NH1 2.85Å; S318-R329 PolarHBondContact OG-NH1 3.03Å; L320-R329 PolarHBondContact O-NH2 3.18Å; Q327-R329 PolarHBondContact O-N 3.2Å | ||
| 330 | L | 27.9 | Very low | 55.9 | Low | 150 Ų | 150 | 79.3 Ų | 79.3 | 79% | 0.785 | 46% | 0.46 | S | S | * | . | trans | -92.6 | 110.3 | 159.5 | -66.5 | 164.2 | 0 | 0 | 0 | 105.9 | I328 | I328-L330 HydrophobicContact CG2-CG 4.42Å; I328-L330 PolarHBondContact O-N 3.04Å | ||
| 331 | S | 29.5 | Very low | 58.4 | Low | 105 Ų | 105 | 75.3 Ų | 75.3 | 73% | 0.734 | 44% | 0.44 | S | S | * | . | trans | 55.7 | 116.5 | 172.5 | 67.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 332 | A | 42.1 | Very low | 61 | Low | 43 Ų | 43 | 72 Ų | 72 | 36% | 0.355 | 42% | 0.418 | S | S | . | . | trans | -168.1 | 50.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 112 | A296 | A296-A332 WeakPolarHBondContact CB-O 3.48Š| ||
| 333 | D | 58.4 | Low | 63.4 | Low | 41 Ų | 41 | 77 Ų | 77 | 22% | 0.219 | 43% | 0.429 | C | S | . | . | trans | -67.6 | 158.7 | 132.1 | 38.2 | 35.9 | 0 | 0 | 0 | 107.5 | L317 H335 E361 | L317-D333 HydrophobicContact CD1-CB 4.45Å; D333-H335 IonicContact OD1-CD2 3.8Å; D333-H335 IonicContact OD1-CE1 2.86Å; D333-H335 PolarHBondContact OD1-CE1 2.78Å; D333-H335 IonicContact OD1-ND1 3.23Å; D333-H335 IonicContact OD1-NE2 2.87Å; D333-H335 PolarHBondContact OD1-NE2 2.86Å; D333-H335 IonicContact OD2-CE1 3.43Å; D333-H335 PolarHBondContact OD2-CE1 2.84Å; D333-H335 IonicContact OD2-ND1 3.95Å; D333-H335 IonicContact OD2-NE2 3.2Å; D333-H335 PolarHBondContact OD2-NE2 3.09Å; D333-E361 HydrophobicContact CB-CG 3.95Å | ||
| 334 | D | 78.3 | Confident | 65.9 | Low | 14 Ų | 14 | 72.5 Ų | 72.5 | 8% | 0.075 | 40% | 0.404 | C | S | . | . | trans | -100.4 | -19.1 | 165.8 | 73.7 | 9.6 | 0 | 0 | 0 | 111.9 | H294 R295 A296 G315 Q336 | H294-D334 WeakPolarHBondContact CA-OD2 3.41Å; H294-D334 VanDerWaalsContact CB-OD2 3.3Å; H294-D334 WeakPolarHBondContact CB-OD2 3.31Å; H294-D334 IonicContact CE1-OD2 2.71Å; H294-D334 IonicContact CG-OD2 3.6Å; H294-D334 IonicContact ND1-OD1 3.9Å; H294-D334 IonicContact ND1-OD2 3.17Å; H294-D334 PolarHBondContact ND1-OD2 3.16Å; R295-D334 HydrophobicContact CB-CB 3.92Å; R295-D334 PolarHBondContact N-OD2 3.07Å; A296-D334 HydrophobicContact CB-CB 4.17Å; G315-D334 WeakPolarHBondContact CA-OD1 3.4Å; D334-Q336 HydrophobicContact CB-CB 4.45Å; D334-Q336 HydrophobicContact CB-CG 3.92Å; D334-Q336 WeakPolarHBondContact O-CG 3.46Å; D334-Q336 PolarHBondContact O-N 2.61Å; D334-Q336 PolarHBondContact OD1-N 3.46Å | ||
| 335 | H | 87.9 | Confident | 67.9 | Low | 42 Ų | 42 | 70.3 Ų | 70.3 | 19% | 0.194 | 37% | 0.373 | C | S | . | . | trans | 52.1 | 20.6 | -174.9 | -53.2 | -48.7 | 0 | 0 | 0 | 112.8 | D333 T357 A358 G360 E361 | D333-H335 IonicContact OD1-CD2 3.8Å; D333-H335 IonicContact OD1-CE1 2.86Å; D333-H335 PolarHBondContact OD1-CE1 2.78Å; D333-H335 IonicContact OD1-ND1 3.23Å; D333-H335 IonicContact OD1-NE2 2.87Å; D333-H335 PolarHBondContact OD1-NE2 2.86Å; D333-H335 IonicContact OD2-CE1 3.43Å; D333-H335 PolarHBondContact OD2-CE1 2.84Å; D333-H335 IonicContact OD2-ND1 3.95Å; D333-H335 IonicContact OD2-NE2 3.2Å; D333-H335 PolarHBondContact OD2-NE2 3.09Å; H335-T357 HydrophobicContact CB-CG2 4.09Å; H335-T357 CarbonylContact O-C 3.56Å; H335-T357 WeakPolarHBondContact O-CA 3.5Å; H335-A358 PolarHBondContact O-N 3.43Å; H335-G360 PolarHBondContact ND1-O 2.82Å; H335-G360 VanDerWaalsContact ND1-O 3.14Å; H335-E361 PolarHBondContact ND1-N 2.86Å | ||
| 336 | Q | 91.3 | Very high | 69.9 | Low | 31 Ų | 31 | 69.6 Ų | 69.6 | 15% | 0.145 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 132.9 | -168.9 | -57.1 | -157.4 | -57.4 | 0 | 0 | 110.9 | H294 A314 G315 D334 L338 Y356 | H294-Q336 PolarHBondContact CE1-O 2.92Å; A314-Q336 WeakPolarHBondContact CA-O 3.43Å; G315-Q336 PolarHBondContact N-O 2.93Å; G315-Q336 VanDerWaalsContact N-O 3.13Å; D334-Q336 HydrophobicContact CB-CB 4.45Å; D334-Q336 HydrophobicContact CB-CG 3.92Å; D334-Q336 WeakPolarHBondContact O-CG 3.46Å; D334-Q336 PolarHBondContact O-N 2.61Å; D334-Q336 PolarHBondContact OD1-N 3.46Å; Q336-L338 HydrophobicContact CB-CD2 3.97Å; Q336-L338 HydrophobicContact CB-CG 4.19Å; Q336-Y356 CarbonylContact C-O 3.54Å; Q336-Y356 VanDerWaalsContact CA-O 3.28Å; Q336-Y356 WeakPolarHBondContact CA-O 3.16Å |
| 337 | A | 93.1 | Very high | 72.6 | Confident | 6 Ų | 6 | 71.4 Ų | 71.4 | 5% | 0.05 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 120.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | T313 A355 Y356 I362 I377 | T313-A337 CarbonylContact O-C 3.55Å; T313-A337 VanDerWaalsContact O-CA 3.29Å; T313-A337 WeakPolarHBondContact O-CA 3.23Å; A337-A355 WeakPolarHBondContact O-CA 3.4Å; A337-Y356 PolarHBondContact N-O 2.89Å; A337-Y356 PolarHBondContact O-N 3.14Å; A337-I362 HydrophobicContact CB-CD1 3.91Å; A337-I377 HydrophobicContact CB-CG2 4.39Å |
| 338 | L | 94.4 | Very high | 74.9 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 136.3 | -179.6 | -57.7 | -177 | 0 | 0 | 0 | 109.5 | N293 C312 T313 Q336 W340 P352 L354 A355 | N293-L338 HydrophobicContact CB-CD1 4.13Å; C312-L338 CarbonylContact C-O 3.48Å; C312-L338 VanDerWaalsContact CA-O 3.23Å; C312-L338 WeakPolarHBondContact CA-O 3.29Å; T313-L338 PolarHBondContact N-O 3.4Å; T313-L338 PolarHBondContact O-N 2.89Å; Q336-L338 HydrophobicContact CB-CD2 3.97Å; Q336-L338 HydrophobicContact CB-CG 4.19Å; L338-W340 HydrophobicContact CB-CZ2 4.2Å; L338-W340 HydrophobicContact CD1-CH2 4.41Å; L338-W340 HydrophobicContact CD1-CZ2 3.72Å; L338-P352 HydrophobicContact CB-CB 4Å; L338-P352 HydrophobicContact CB-CG 4.41Å; L338-P352 HydrophobicContact CD1-CG 4.28Å; L338-P352 HydrophobicContact CD2-CB 4.46Å; L338-P352 HydrophobicContact CD2-CG 4.06Å; L338-P352 HydrophobicContact CG-CG 4.49Å; L338-L354 WeakPolarHBondContact CA-O 3.39Å; L338-A355 HydrophobicContact CD2-CB 3.52Å |
| 339 | I | 95.6 | Very high | 77.8 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 131.4 | 171.4 | -54.5 | -179.1 | 0 | 0 | 0 | 108.3 | I311 C312 P352 I353 L354 W367 I375 V388 | I311-I339 WeakPolarHBondContact O-CA 3.42Å; C312-I339 HydrophobicContact CB-CG1 4.34Å; I339-P352 CarbonylContact O-C 3.59Å; I339-P352 VanDerWaalsContact O-CA 3.31Å; I339-P352 WeakPolarHBondContact O-CA 3.23Å; I339-P352 VanDerWaalsContact O-CB 3.23Å; I339-P352 WeakPolarHBondContact O-CB 3.38Å; I339-I353 HydrophobicContact CB-CG1 4.22Å; I339-I353 HydrophobicContact CG2-CD1 4.01Å; I339-I353 HydrophobicContact CG2-CG1 3.95Å; I339-I353 VanDerWaalsContact O-CG1 3.31Å; I339-I353 WeakPolarHBondContact O-CG1 3.07Å; I339-I353 PolarHBondContact O-N 2.93Å; I339-L354 HydrophobicContact CB-CB 4.07Å; I339-L354 HydrophobicContact CD1-CB 4.17Å; I339-L354 HydrophobicContact CD1-CD2 3.94Å; I339-L354 HydrophobicContact CD1-CG 4.44Å; I339-L354 HydrophobicContact CG1-CB 4.28Å; I339-L354 HydrophobicContact CG1-CD2 4.29Å; I339-L354 PolarHBondContact N-O 3.42Å; I339-L354 PolarHBondContact O-N 3.03Å; I339-W367 HydrophobicContact CD1-CH2 4.07Å; I339-W367 HydrophobicContact CD1-CZ3 4.49Å; I339-W367 HydrophobicContact CG2-CH2 4.12Å; I339-W367 HydrophobicContact CG2-CZ3 4.33Å; I339-I375 HydrophobicContact CD1-CD1 3.8Å; I339-I375 HydrophobicContact CG1-CD1 4.31Å; I339-V388 HydrophobicContact CD1-CB 3.89Å; I339-V388 HydrophobicContact CD1-CG1 3.71Å; I339-V388 HydrophobicContact CD1-CG2 4.46Å |
| 340 | W | 96.6 | Very high | 80.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 147.9 | -176.2 | -50.8 | 82.8 | 0 | 0 | 0 | 110.5 | L291 N293 H310 I311 T313 L338 I349 P352 | L291-W340 HydrophobicContact CB-CD2 4.12Å; L291-W340 HydrophobicContact CB-CE3 4.12Å; L291-W340 HydrophobicContact CB-CH2 3.92Å; L291-W340 HydrophobicContact CB-CZ2 4Å; L291-W340 HydrophobicContact CB-CZ3 4.03Å; L291-W340 HydrophobicContact CD1-CB 4.06Å; L291-W340 HydrophobicContact CD1-CD2 3.93Å; L291-W340 HydrophobicContact CD1-CE3 4.45Å; L291-W340 HydrophobicContact CD1-CG 3.74Å; L291-W340 HydrophobicContact CD2-CD2 4.31Å; L291-W340 HydrophobicContact CD2-CE3 4.01Å; L291-W340 HydrophobicContact CD2-CZ3 4.45Å; L291-W340 HydrophobicContact CG-CD2 4.35Å; L291-W340 HydrophobicContact CG-CE3 4.42Å; N293-W340 HydrophobicContact CB-CH2 3.3Å; N293-W340 HydrophobicContact CB-CZ2 4.06Å; N293-W340 HydrophobicContact CB-CZ3 4.05Å; H310-W340 WeakPolarHBondContact CA-O 3.33Å; I311-W340 HydrophobicContact CG2-CB 3.8Å; I311-W340 HydrophobicContact CG2-CG 4.24Å; I311-W340 PolarHBondContact N-O 2.85Å; I311-W340 PolarHBondContact O-N 3.29Å; T313-W340 PolarHBondContact OG1-NE1 2.85Å; L338-W340 HydrophobicContact CB-CZ2 4.2Å; L338-W340 HydrophobicContact CD1-CH2 4.41Å; L338-W340 HydrophobicContact CD1-CZ2 3.72Å; W340-I349 HydrophobicContact CE3-CG2 4.06Å; W340-P352 HydrophobicContact CD2-CB 4.1Å; W340-P352 HydrophobicContact CE3-CB 4.11Å; W340-P352 HydrophobicContact CZ3-CB 4.43Å |
| 341 | D | 96 | Very high | 83.5 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 113.4 | 166.1 | -177.8 | 13.3 | 0 | 0 | 0 | 110.1 | S309 H310 Q343 I353 | S309-D341 VanDerWaalsContact CB-OD1 3.28Å; S309-D341 WeakPolarHBondContact CB-OD1 3.46Å; S309-D341 WeakPolarHBondContact O-CA 3.5Å; S309-D341 PolarHBondContact OG-OD1 2.85Å; H310-D341 IonicContact CD2-OD1 3.77Å; D341-Q343 WeakPolarHBondContact OD1-CB 3.46Å; D341-Q343 PolarHBondContact OD1-N 2.94Å; D341-I353 HydrophobicContact CB-CD1 4.32Å; D341-I353 HydrophobicContact CB-CG2 3.86Å |
| 342 | I | 94.8 | Very high | 86.5 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | trans | -93.3 | 8.9 | -179.9 | 61.8 | 147.4 | 0 | 0 | 0 | 112.8 | L291 W303 S309 I311 A344 M345 I349 | L291-I342 HydrophobicContact CD2-CG2 4.28Å; W303-I342 HydrophobicContact CH2-CD1 3.66Å; W303-I342 HydrophobicContact CZ3-CD1 3.58Å; W303-I342 HydrophobicContact CZ3-CG1 4.24Å; S309-I342 VanDerWaalsContact CA-CG1 3.48Å; S309-I342 WeakPolarHBondContact O-CG1 3.45Å; S309-I342 PolarHBondContact O-N 2.85Å; I311-I342 HydrophobicContact CG2-CG2 4.39Å; I342-A344 PolarHBondContact O-N 2.79Å; I342-A344 VanDerWaalsContact O-N 3.12Å; I342-M345 HydrophobicContact CB-CE 3.84Å; I342-M345 HydrophobicContact CB-CG 4.03Å; I342-M345 HydrophobicContact CB-SD 3.88Å; I342-M345 HydrophobicContact CD1-CE 3.27Å; I342-M345 HydrophobicContact CD1-SD 4.24Å; I342-M345 HydrophobicContact CG1-CE 4.01Å; I342-M345 HydrophobicContact CG2-SD 4.31Å; I342-M345 WeakPolarHBondContact O-CB 3.38Å; I342-M345 VanDerWaalsContact O-CG 3.27Å; I342-M345 WeakPolarHBondContact O-CG 3.24Å; I342-M345 PolarHBondContact O-N 3.45Å; I342-I349 HydrophobicContact CB-CD1 3.79Å; I342-I349 HydrophobicContact CG2-CD1 3.53Å | ||
| 343 | Q | 93.5 | Very high | 89 | Confident | 151 Ų | 151 | 58.6 Ų | 58.6 | 71% | 0.706 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.9 | -178.4 | -174.3 | 177.1 | 13.6 | 0 | 0 | 112.5 | D341 M345 | D341-Q343 WeakPolarHBondContact OD1-CB 3.46Å; D341-Q343 PolarHBondContact OD1-N 2.94Å; Q343-M345 VanDerWaalsContact C-N 3.26Å; Q343-M345 PolarHBondContact O-N 2.69Å |
| 344 | A | 89.8 | Confident | 90.7 | Very high | 55 Ų | 55 | 59.8 Ų | 59.8 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -7.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | I342 R347 | I342-A344 PolarHBondContact O-N 2.79Å; I342-A344 VanDerWaalsContact O-N 3.12Å; A344-R347 HydrophobicContact CB-CB 4.33Å; A344-R347 WeakPolarHBondContact O-CA 3.37Å; A344-R347 WeakPolarHBondContact O-CB 3.27Å; A344-R347 PolarHBondContact O-N 3.4Å |
| 345 | M | 89.1 | Confident | 91.3 | Very high | 35 Ų | 35 | 62 Ų | 62 | 17% | 0.172 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 140.5 | 179.8 | -72.6 | -170.5 | -46.4 | 0 | 0 | 111.9 | Y265 I278 V288 A289 I342 Q343 I349 | Y265-M345 HydrophobicContact CD1-CE 4.26Å; Y265-M345 HydrophobicContact CE1-CE 3.88Å; I278-M345 HydrophobicContact CB-SD 4.41Å; I278-M345 HydrophobicContact CG2-CE 4.28Å; I278-M345 HydrophobicContact CG2-SD 4.05Å; V288-M345 HydrophobicContact CG2-CE 4.37Å; V288-M345 HydrophobicContact CG2-SD 4.06Å; A289-M345 HydrophobicContact CB-CG 3.9Å; A289-M345 HydrophobicContact CB-SD 3.37Å; A289-M345 WeakPolarHBondContact CB-SD 2.94Å; I342-M345 HydrophobicContact CB-CE 3.84Å; I342-M345 HydrophobicContact CB-CG 4.03Å; I342-M345 HydrophobicContact CB-SD 3.88Å; I342-M345 HydrophobicContact CD1-CE 3.27Å; I342-M345 HydrophobicContact CD1-SD 4.24Å; I342-M345 HydrophobicContact CG1-CE 4.01Å; I342-M345 HydrophobicContact CG2-SD 4.31Å; I342-M345 WeakPolarHBondContact O-CB 3.38Å; I342-M345 VanDerWaalsContact O-CG 3.27Å; I342-M345 WeakPolarHBondContact O-CG 3.24Å; I342-M345 PolarHBondContact O-N 3.45Å; Q343-M345 VanDerWaalsContact C-N 3.26Å; Q343-M345 PolarHBondContact O-N 2.69Å; M345-I349 HydrophobicContact CG-CD1 3.84Å |
| 346 | P | 83.6 | Confident | 91.5 | Very high | 123 Ų | 123 | 62.9 Ų | 62.9 | 80% | 0.799 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87.6 | 12 | 9.6 | 36.3 | -37.4 | 0 | 0 | 0 | 114.4 | ||
| 347 | R | 87.5 | Confident | 91.5 | Very high | 192 Ų | 192 | 65.6 Ų | 65.6 | 73% | 0.725 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -61.6 | 142.6 | 171.6 | -170.7 | -179.2 | 172 | -179.9 | -3.7 | 109.2 | A344 I349 | A344-R347 HydrophobicContact CB-CB 4.33Å; A344-R347 WeakPolarHBondContact O-CA 3.37Å; A344-R347 WeakPolarHBondContact O-CB 3.27Å; A344-R347 PolarHBondContact O-N 3.4Å; R347-I349 PolarHBondContact O-N 2.74Å |
| 348 | A | 85 | Confident | 91.5 | Very high | 73 Ų | 73 | 65.6 Ų | 65.6 | 60% | 0.603 | 36% | 0.359 | S | S | * | . | trans | -54.9 | 136.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 349 | I | 89.6 | Confident | 91.2 | Very high | 25 Ų | 25 | 68.5 Ų | 68.5 | 13% | 0.128 | 39% | 0.389 | C | S | . | . | trans | -104.5 | 108.6 | 175 | -58.7 | 155.9 | 0 | 0 | 0 | 105.6 | A289 L291 W340 I342 M345 R347 | A289-I349 HydrophobicContact CB-CD1 4.42Å; L291-I349 HydrophobicContact CD2-CB 4.02Å; L291-I349 HydrophobicContact CD2-CD1 3.66Å; L291-I349 HydrophobicContact CD2-CG2 4.09Å; W340-I349 HydrophobicContact CE3-CG2 4.06Å; I342-I349 HydrophobicContact CB-CD1 3.79Å; I342-I349 HydrophobicContact CG2-CD1 3.53Å; M345-I349 HydrophobicContact CG-CD1 3.84Å; R347-I349 PolarHBondContact O-N 2.74Å | ||
| 350 | E | 87 | Confident | 90.9 | Very high | 145 Ų | 145 | 68.3 Ų | 68.3 | 68% | 0.678 | 39% | 0.389 | S | S | * | . | trans | -89.8 | -38 | -170.9 | -65.1 | 177.5 | -179.2 | 0 | 0 | 111.6 | N293 | N293-E350 PolarHBondContact ND2-O 2.88Š| ||
| 351 | D | 91.2 | Very high | 90.4 | Very high | 108 Ų | 108 | 70.7 Ų | 70.7 | 58% | 0.578 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -130.3 | 145.4 | -173.1 | -66.2 | -62.4 | 0 | 0 | 0 | 112.3 | N293 | N293-D351 PolarHBondContact ND2-OD1 3.13Š|
| 352 | P | 92.9 | Very high | 90.2 | Very high | 28 Ų | 28 | 68.6 Ų | 68.6 | 18% | 0.182 | 39% | 0.389 | C | S | . | . | trans | -68 | 152 | 166.4 | 31.4 | -35.5 | 0 | 0 | 0 | 110.7 | L338 I339 W340 | L338-P352 HydrophobicContact CB-CB 4Å; L338-P352 HydrophobicContact CB-CG 4.41Å; L338-P352 HydrophobicContact CD1-CG 4.28Å; L338-P352 HydrophobicContact CD2-CB 4.46Å; L338-P352 HydrophobicContact CD2-CG 4.06Å; L338-P352 HydrophobicContact CG-CG 4.49Å; I339-P352 CarbonylContact O-C 3.59Å; I339-P352 VanDerWaalsContact O-CA 3.31Å; I339-P352 WeakPolarHBondContact O-CA 3.23Å; I339-P352 VanDerWaalsContact O-CB 3.23Å; I339-P352 WeakPolarHBondContact O-CB 3.38Å; W340-P352 HydrophobicContact CD2-CB 4.1Å; W340-P352 HydrophobicContact CE3-CB 4.11Å; W340-P352 HydrophobicContact CZ3-CB 4.43Å | ||
| 353 | I | 94.6 | Very high | 89.9 | Confident | 102 Ų | 102 | 69.6 Ų | 69.6 | 52% | 0.523 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -81.7 | -23 | 176.7 | 60.2 | 165 | 0 | 0 | 0 | 112.7 | I339 D341 | I339-I353 HydrophobicContact CB-CG1 4.22Å; I339-I353 HydrophobicContact CG2-CD1 4.01Å; I339-I353 HydrophobicContact CG2-CG1 3.95Å; I339-I353 VanDerWaalsContact O-CG1 3.31Å; I339-I353 WeakPolarHBondContact O-CG1 3.07Å; I339-I353 PolarHBondContact O-N 2.93Å; D341-I353 HydrophobicContact CB-CD1 4.32Å; D341-I353 HydrophobicContact CB-CG2 3.86Å |
| 354 | L | 93.3 | Very high | 89.8 | Confident | 66 Ų | 66 | 63.9 Ų | 63.9 | 35% | 0.346 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 144.2 | 176.7 | -170.2 | 147.1 | 0 | 0 | 0 | 109.8 | L338 I339 | L338-L354 WeakPolarHBondContact CA-O 3.39Å; I339-L354 HydrophobicContact CB-CB 4.07Å; I339-L354 HydrophobicContact CD1-CB 4.17Å; I339-L354 HydrophobicContact CD1-CD2 3.94Å; I339-L354 HydrophobicContact CD1-CG 4.44Å; I339-L354 HydrophobicContact CG1-CB 4.28Å; I339-L354 HydrophobicContact CG1-CD2 4.29Å; I339-L354 PolarHBondContact N-O 3.42Å; I339-L354 PolarHBondContact O-N 3.03Å |
| 355 | A | 91.5 | Very high | 90 | Very high | 60 Ų | 60 | 61.5 Ų | 61.5 | 50% | 0.496 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 136.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | A337 L338 | A337-A355 WeakPolarHBondContact O-CA 3.4Å; L338-A355 HydrophobicContact CD2-CB 3.52Å |
| 356 | Y | 92 | Very high | 90.3 | Very high | 60 Ų | 60 | 61.3 Ų | 61.3 | 24% | 0.235 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.4 | 172.4 | -179.5 | -95.7 | 0 | 0 | 0 | 109.7 | Q336 A337 A358 I377 E384 L386 | Q336-Y356 CarbonylContact C-O 3.54Å; Q336-Y356 VanDerWaalsContact CA-O 3.28Å; Q336-Y356 WeakPolarHBondContact CA-O 3.16Å; A337-Y356 PolarHBondContact N-O 2.89Å; A337-Y356 PolarHBondContact O-N 3.14Å; Y356-A358 HydrophobicContact CE1-CB 4.2Å; Y356-I377 HydrophobicContact CD1-CD1 3.71Å; Y356-I377 HydrophobicContact CE1-CD1 3.37Å; Y356-E384 PolarHBondContact OH-OE2 3.48Å; Y356-L386 HydrophobicContact CD1-CD1 3.51Å; Y356-L386 HydrophobicContact CD2-CD1 3.78Å; Y356-L386 HydrophobicContact CD2-CD2 4.2Å; Y356-L386 HydrophobicContact CE1-CD1 3.75Å; Y356-L386 HydrophobicContact CE1-CD2 4.15Å; Y356-L386 HydrophobicContact CE2-CD1 4.01Å; Y356-L386 HydrophobicContact CE2-CD2 3.65Å; Y356-L386 HydrophobicContact CE2-CG 4.49Å; Y356-L386 HydrophobicContact CG-CD1 3.51Å |
| 357 | T | 91.7 | Very high | 90.9 | Very high | 88 Ų | 88 | 56 Ų | 56 | 54% | 0.54 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 112.6 | 175.9 | -56.2 | 0 | 0 | 0 | 0 | 109.2 | H335 | H335-T357 HydrophobicContact CB-CG2 4.09Å; H335-T357 CarbonylContact O-C 3.56Å; H335-T357 WeakPolarHBondContact O-CA 3.5Å |
| 358 | A | 91.2 | Very high | 91.3 | Very high | 6 Ų | 6 | 47 Ų | 47 | 5% | 0.05 | 28% | 0.277 | C | S | . | . | trans | -73.5 | 164.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H335 Y356 G360 I362 I377 F379 | H335-A358 PolarHBondContact O-N 3.43Å; Y356-A358 HydrophobicContact CE1-CB 4.2Å; A358-G360 WeakPolarHBondContact CB-O 3.4Å; A358-G360 PolarHBondContact O-N 3.27Å; A358-I362 HydrophobicContact CB-CD1 3.93Å; A358-I362 HydrophobicContact CB-CG1 3.73Å; A358-I377 HydrophobicContact CB-CD1 4.01Å; A358-F379 HydrophobicContact CB-CD1 3.79Å; A358-F379 HydrophobicContact CB-CE1 3.96Å; A358-F379 HydrophobicContact CB-CG 4.19Å | ||
| 359 | G | 88.9 | Confident | 91.7 | Very high | 62 Ų | 62 | 47 Ų | 47 | 64% | 0.639 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -77.6 | 6.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 360 | G | 88.2 | Confident | 91.7 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -175 | 180 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | H335 A358 I362 | H335-G360 PolarHBondContact ND1-O 2.82Å; H335-G360 VanDerWaalsContact ND1-O 3.14Å; A358-G360 WeakPolarHBondContact CB-O 3.4Å; A358-G360 PolarHBondContact O-N 3.27Å; G360-I362 PolarHBondContact O-N 3.45Å |
| 361 | E | 86.7 | Confident | 92.1 | Very high | 50 Ų | 50 | 43.5 Ų | 43.5 | 23% | 0.234 | 25% | 0.25 | C | C | . | . | trans | -62.7 | 127 | 178.7 | -67.6 | 164.8 | -152.6 | 0 | 0 | 111.1 | L317 D333 H335 N363 F379 | L317-E361 HydrophobicContact CB-CG 4.1Å; L317-E361 WeakPolarHBondContact CB-OE1 3.05Å; L317-E361 WeakPolarHBondContact CB-OE2 3.46Å; L317-E361 WeakPolarHBondContact CD2-OE1 3.31Å; D333-E361 HydrophobicContact CB-CG 3.95Å; H335-E361 PolarHBondContact ND1-N 2.86Å; E361-N363 PolarHBondContact O-N 3.24Å; E361-F379 WeakPolarHBondContact O-CA 3.45Å; E361-F379 WeakPolarHBondContact O-CB 3.44Å | ||
| 362 | I | 91.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 110.5 | -176.4 | -58.1 | 177.7 | 0 | 0 | 0 | 108.7 | A314 A337 A358 G360 Q364 I377 C378 | A314-I362 HydrophobicContact CB-CB 4.04Å; A314-I362 HydrophobicContact CB-CD1 4.3Å; A314-I362 HydrophobicContact CB-CG2 3.65Å; A337-I362 HydrophobicContact CB-CD1 3.91Å; A358-I362 HydrophobicContact CB-CD1 3.93Å; A358-I362 HydrophobicContact CB-CG1 3.73Å; G360-I362 PolarHBondContact O-N 3.45Å; I362-Q364 WeakPolarHBondContact CG2-O 3.32Å; I362-I377 HydrophobicContact CG2-CB 4.26Å; I362-I377 HydrophobicContact CG2-CG2 4.33Å; I362-C378 CarbonylContact C-O 3.57Å; I362-C378 WeakPolarHBondContact CA-O 3.36Å |
| 363 | N | 89.3 | Confident | 92.3 | Very high | 28 Ų | 28 | 42.8 Ų | 42.8 | 15% | 0.15 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | -39 | -179.4 | -66 | -33.5 | 0 | 0 | 0 | 112 | L26 E361 C378 | L26-N363 PolarHBondContact O-ND2 2.97Å; E361-N363 PolarHBondContact O-N 3.24Å; N363-C378 PolarHBondContact N-O 3.2Å |
| 364 | Q | 90.8 | Very high | 92.3 | Very high | 30 Ų | 30 | 39.2 Ų | 39.2 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 153.9 | 176.2 | -67.5 | -73.8 | -36.9 | 0 | 0 | 110.9 | Y27 M29 I362 I377 C378 | Y27-Q364 WeakPolarHBondContact O-CG 3.28Å; M29-Q364 VanDerWaalsContact CE-C 3.44Å; M29-Q364 HydrophobicContact CE-CB 3.74Å; M29-Q364 WeakPolarHBondContact CE-O 3.47Å; M29-Q364 HydrophobicContact CG-CB 4.07Å; M29-Q364 HydrophobicContact SD-CB 4.44Å; I362-Q364 WeakPolarHBondContact CG2-O 3.32Å; Q364-I377 WeakPolarHBondContact O-CA 3.36Å; Q364-C378 PolarHBondContact N-SG 3.39Å; Q364-C378 PolarHBondContact O-N 2.85Å; Q364-C378 VanDerWaalsContact O-N 3.13Å |
| 365 | V | 94.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 133.7 | 170.1 | 61.2 | 0 | 0 | 0 | 0 | 109.4 | V302 A314 I375 A376 I377 | V302-V365 HydrophobicContact CG1-CG1 4.03Å; V302-V365 HydrophobicContact CG1-CG2 4.05Å; A314-V365 HydrophobicContact CB-CB 4.15Å; A314-V365 HydrophobicContact CB-CG1 3.87Å; V365-I375 HydrophobicContact CG2-CG2 3.56Å; V365-A376 WeakPolarHBondContact CA-O 3.49Å; V365-I377 HydrophobicContact CB-CG2 4.28Å; V365-I377 HydrophobicContact CG2-CG2 3.92Å |
| 366 | H | 95.7 | Very high | 92.7 | Very high | 31 Ų | 31 | 33.5 Ų | 33.5 | 14% | 0.144 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 127.2 | 177.4 | -81.6 | -85.5 | 0 | 0 | 0 | 111.7 | M29 W31 A376 | M29-H366 HydrophobicContact CE-CB 4.11Å; M29-H366 PolarHBondContact O-CD2 3.45Å; M29-H366 PolarHBondContact O-NE2 2.72Å; M29-H366 VanDerWaalsContact O-NE2 3.13Å; W31-H366 PolarHBondContact NE1-O 2.72Å; H366-A376 PolarHBondContact N-O 3.01Å; H366-A376 PolarHBondContact O-N 2.92Å |
| 367 | W | 95.8 | Very high | 92.8 | Very high | 12 Ų | 12 | 30.6 Ų | 30.6 | 5% | 0.045 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 132 | 169 | -145.3 | -53.2 | 0 | 0 | 0 | 110.7 | V302 A304 P305 H306 C312 I339 Q369 P372 I375 V388 | V302-W367 HydrophobicContact CG1-CB 4.4Å; V302-W367 HydrophobicContact CG2-CB 3.99Å; A304-W367 HydrophobicContact CB-CD2 4.02Å; A304-W367 HydrophobicContact CB-CE3 3.86Å; A304-W367 HydrophobicContact CB-CH2 3.88Å; A304-W367 HydrophobicContact CB-CZ2 4.05Å; A304-W367 HydrophobicContact CB-CZ3 3.77Å; P305-W367 HydrophobicContact CG-CG 4.22Å; H306-W367 AromaticContact CE1-CE2 3.84Å; H306-W367 AromaticContact CE1-CZ2 3.52Å; H306-W367 AromaticContact CE1-NE1 3.92Å; C312-W367 HydrophobicContact CB-CE3 3.97Å; C312-W367 HydrophobicContact CB-CZ3 3.85Å; I339-W367 HydrophobicContact CD1-CH2 4.07Å; I339-W367 HydrophobicContact CD1-CZ3 4.49Å; I339-W367 HydrophobicContact CG2-CH2 4.12Å; I339-W367 HydrophobicContact CG2-CZ3 4.33Å; W367-Q369 PolarHBondContact O-N 3.23Å; W367-P372 PolarHBondContact NE1-O 2.92Å; W367-I375 HydrophobicContact CD2-CD1 3.85Å; W367-I375 HydrophobicContact CD2-CG1 3.73Å; W367-I375 HydrophobicContact CE3-CD1 3.63Å; W367-I375 HydrophobicContact CE3-CG1 4.04Å; W367-I375 HydrophobicContact CG-CG1 4.04Å; W367-I375 HydrophobicContact CH2-CD1 3.86Å; W367-I375 HydrophobicContact CZ2-CD1 4.04Å; W367-I375 HydrophobicContact CZ2-CG1 4.25Å; W367-I375 HydrophobicContact CZ3-CD1 3.65Å; W367-I375 HydrophobicContact CZ3-CG1 4.45Å; W367-V388 HydrophobicContact CH2-CG2 4.24Å; W367-V388 HydrophobicContact CZ2-CG2 3.53Å |
| 368 | A | 95.7 | Very high | 92.9 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 2% | 0.017 | 15% | 0.151 | C | C | . | . | trans | -72.7 | 116.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | W31 N370 Q371 W374 | W31-A368 HydrophobicContact CD2-CB 3.66Å; W31-A368 HydrophobicContact CE3-CB 4.05Å; W31-A368 HydrophobicContact CG-CB 3.97Å; W31-A368 HydrophobicContact CH2-CB 4.32Å; W31-A368 HydrophobicContact CZ2-CB 3.98Å; W31-A368 HydrophobicContact CZ3-CB 4.37Å; A368-N370 PolarHBondContact O-N 3.21Å; A368-Q371 HydrophobicContact CB-CB 3.94Å; A368-Q371 WeakPolarHBondContact CB-O 3.41Å; A368-Q371 CarbonylContact O-C 3.5Å; A368-Q371 PolarHBondContact O-N 2.77Å; A368-W374 HydrophobicContact CB-CB 4.24Å; A368-W374 WeakPolarHBondContact CB-O 3.49Å; A368-W374 PolarHBondContact N-O 3.11Å | ||
| 369 | Q | 92.7 | Very high | 92.9 | Very high | 72 Ų | 72 | 26.3 Ų | 26.3 | 34% | 0.336 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -40.7 | -174.8 | -61.9 | -171.2 | 4.2 | 0 | 0 | 113.7 | I33 P305 W367 | I33-Q369 HydrophobicContact CG2-CB 3.84Å; I33-Q369 HydrophobicContact CG2-CG 4.15Å; P305-Q369 HydrophobicContact CB-CB 4.49Å; W367-Q369 PolarHBondContact O-N 3.23Å |
| 370 | N | 91.5 | Very high | 92.9 | Very high | 70 Ų | 70 | 26.9 Ų | 26.9 | 37% | 0.374 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -3.8 | 179.1 | -75.4 | 5.2 | 0 | 0 | 0 | 113.9 | I33 A368 | I33-N370 VanDerWaalsContact C-ND2 3.27Å; I33-N370 PolarHBondContact O-ND2 3.33Å; A368-N370 PolarHBondContact O-N 3.21Å |
| 371 | Q | 93.9 | Very high | 93.2 | Very high | 28 Ų | 28 | 29.4 Ų | 29.4 | 13% | 0.131 | 15% | 0.15 | C | C | . | . | trans | -135.1 | 65.9 | -179.4 | -58.7 | -171.6 | 95.4 | 0 | 0 | 108.2 | F39 A368 D373 W374 | F39-Q371 VanDerWaalsContact CE1-OE1 3.23Å; A368-Q371 HydrophobicContact CB-CB 3.94Å; A368-Q371 WeakPolarHBondContact CB-O 3.41Å; A368-Q371 CarbonylContact O-C 3.5Å; A368-Q371 PolarHBondContact O-N 2.77Å; Q371-D373 PolarHBondContact O-N 2.75Å; Q371-W374 PolarHBondContact O-N 3.42Å | ||
| 372 | P | 93.7 | Very high | 93.6 | Very high | 43 Ų | 43 | 27 Ų | 27 | 28% | 0.279 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -11.6 | -166.4 | 23.4 | -34.9 | 0 | 0 | 0 | 115 | P305 H306 W367 W374 | P305-P372 HydrophobicContact CG-CB 4.17Å; H306-P372 HydrophobicContact CB-CB 3.81Å; H306-P372 HydrophobicContact CB-CG 4.49Å; H306-P372 PolarHBondContact CE1-O 2.64Å; H306-P372 VanDerWaalsContact ND1-CB 3.29Å; H306-P372 WeakPolarHBondContact ND1-CB 3.46Å; H306-P372 PolarHBondContact ND1-O 3.16Å; W367-P372 PolarHBondContact NE1-O 2.92Å; P372-W374 PolarHBondContact O-N 2.76Å |
| 373 | D | 94.3 | Very high | 93.8 | Very high | 78 Ų | 78 | 27 Ų | 27 | 42% | 0.417 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 0.1 | 173.6 | -57.9 | -5.7 | 0 | 0 | 0 | 112.6 | Q371 R387 V388 | Q371-D373 PolarHBondContact O-N 2.75Å; D373-R387 HydrophobicContact CB-CG 4.35Å; D373-R387 CarbonylContact O-C 3.41Å; D373-R387 VanDerWaalsContact O-CA 3.23Å; D373-R387 WeakPolarHBondContact O-CA 3.48Å; D373-R387 WeakPolarHBondContact O-CG 3.38Å; D373-R387 IonicContact OD2-NH2 3.74Å; D373-V388 PolarHBondContact O-N 3.31Å |
| 374 | W | 95.9 | Very high | 94.2 | Very high | 27 Ų | 27 | 26.3 Ų | 26.3 | 10% | 0.102 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 135.5 | -172.3 | -64.7 | 87.5 | 0 | 0 | 0 | 113.4 | Y18 W31 F39 A368 Q371 P372 I385 L386 R387 | Y18-W374 AromaticContact CD2-CH2 3.78Å; Y18-W374 HydrophobicContact CD2-CH2 3.78Å; Y18-W374 AromaticContact CD2-CZ3 3.86Å; Y18-W374 HydrophobicContact CD2-CZ3 3.86Å; Y18-W374 AromaticContact CE2-CH2 3.56Å; Y18-W374 HydrophobicContact CE2-CH2 3.56Å; Y18-W374 HydrophobicContact CE2-CZ2 4.32Å; Y18-W374 HydrophobicContact CE2-CZ3 4.14Å; W31-W374 HydrophobicContact CH2-CB 4.35Å; W31-W374 HydrophobicContact CZ2-CB 4.41Å; F39-W374 AromaticContact CE1-CD1 3.87Å; F39-W374 AromaticContact CE1-CD2 3.89Å; F39-W374 HydrophobicContact CE1-CD2 3.89Å; F39-W374 AromaticContact CE1-CE2 3.78Å; F39-W374 AromaticContact CE1-CG 3.95Å; F39-W374 HydrophobicContact CE1-CG 3.95Å; F39-W374 HydrophobicContact CE1-CZ2 4.4Å; F39-W374 AromaticContact CE1-NE1 3.74Å; F39-W374 HydrophobicContact CZ-CD2 4.49Å; F39-W374 AromaticContact CZ-CE2 3.91Å; F39-W374 HydrophobicContact CZ-CZ2 4.26Å; F39-W374 AromaticContact CZ-NE1 3.75Å; A368-W374 HydrophobicContact CB-CB 4.24Å; A368-W374 WeakPolarHBondContact CB-O 3.49Å; A368-W374 PolarHBondContact N-O 3.11Å; Q371-W374 PolarHBondContact O-N 3.42Å; P372-W374 PolarHBondContact O-N 2.76Å; W374-I385 HydrophobicContact CD2-CD1 4.47Å; W374-I385 HydrophobicContact CE3-CB 4.15Å; W374-I385 HydrophobicContact CE3-CD1 3.85Å; W374-I385 HydrophobicContact CE3-CG1 4.02Å; W374-I385 HydrophobicContact CZ3-CD1 4.04Å; W374-I385 HydrophobicContact CZ3-CG1 4.1Å; W374-L386 WeakPolarHBondContact CA-O 3.17Å; W374-L386 VanDerWaalsContact CE3-C 3.45Å; W374-R387 HydrophobicContact CD2-CB 4.38Å; W374-R387 HydrophobicContact CE3-CB 4.15Å; W374-R387 HydrophobicContact CH2-CB 3.85Å; W374-R387 HydrophobicContact CH2-CG 4.47Å; W374-R387 HydrophobicContact CZ2-CB 4.11Å; W374-R387 HydrophobicContact CZ2-CG 4.24Å; W374-R387 HydrophobicContact CZ3-CB 3.88Å |
| 375 | I | 95.9 | Very high | 94.4 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 3% | 0.026 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 139.6 | 169.3 | -61.3 | -175.8 | 0 | 0 | 0 | 108.4 | C312 I339 V365 W367 I377 I385 L386 V388 | C312-I375 HydrophobicContact CB-CD1 4.06Å; I339-I375 HydrophobicContact CD1-CD1 3.8Å; I339-I375 HydrophobicContact CG1-CD1 4.31Å; V365-I375 HydrophobicContact CG2-CG2 3.56Å; W367-I375 HydrophobicContact CD2-CD1 3.85Å; W367-I375 HydrophobicContact CD2-CG1 3.73Å; W367-I375 HydrophobicContact CE3-CD1 3.63Å; W367-I375 HydrophobicContact CE3-CG1 4.04Å; W367-I375 HydrophobicContact CG-CG1 4.04Å; W367-I375 HydrophobicContact CH2-CD1 3.86Å; W367-I375 HydrophobicContact CZ2-CD1 4.04Å; W367-I375 HydrophobicContact CZ2-CG1 4.25Å; W367-I375 HydrophobicContact CZ3-CD1 3.65Å; W367-I375 HydrophobicContact CZ3-CG1 4.45Å; I375-I377 HydrophobicContact CG2-CG2 4.35Å; I375-I385 CarbonylContact O-C 3.59Å; I375-I385 VanDerWaalsContact O-CA 3.25Å; I375-I385 WeakPolarHBondContact O-CA 3.37Å; I375-L386 PolarHBondContact N-O 3.2Å; I375-L386 PolarHBondContact O-N 2.8Å; I375-V388 HydrophobicContact CB-CG1 4.5Å; I375-V388 HydrophobicContact CD1-CG1 3.84Å; I375-V388 HydrophobicContact CD1-CG2 4.16Å; I375-V388 HydrophobicContact CG1-CG1 4.04Å; I375-V388 HydrophobicContact CG1-CG2 4.02Å |
| 376 | A | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 139.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | M29 W31 I41 V365 H366 L383 E384 I385 | M29-A376 HydrophobicContact CE-CB 3.97Å; M29-A376 WeakPolarHBondContact CE-O 3.5Å; M29-A376 HydrophobicContact SD-CB 4.05Å; W31-A376 HydrophobicContact CZ2-CB 3.57Å; W31-A376 VanDerWaalsContact NE1-CB 3.28Å; I41-A376 HydrophobicContact CD1-CB 4.43Å; V365-A376 WeakPolarHBondContact CA-O 3.49Å; H366-A376 PolarHBondContact N-O 3.01Å; H366-A376 PolarHBondContact O-N 2.92Å; A376-L383 HydrophobicContact CB-CD1 4.23Å; A376-E384 CarbonylContact C-O 3.33Å; A376-E384 WeakPolarHBondContact CA-O 3.27Å; A376-I385 HydrophobicContact CB-CG2 4.03Å |
| 377 | I | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 142.9 | 167.7 | 56.7 | 169.3 | 0 | 0 | 0 | 108.7 | A337 Y356 A358 I362 Q364 V365 I375 F379 L383 E384 L386 | A337-I377 HydrophobicContact CB-CG2 4.39Å; Y356-I377 HydrophobicContact CD1-CD1 3.71Å; Y356-I377 HydrophobicContact CE1-CD1 3.37Å; A358-I377 HydrophobicContact CB-CD1 4.01Å; I362-I377 HydrophobicContact CG2-CB 4.26Å; I362-I377 HydrophobicContact CG2-CG2 4.33Å; Q364-I377 WeakPolarHBondContact O-CA 3.36Å; V365-I377 HydrophobicContact CB-CG2 4.28Å; V365-I377 HydrophobicContact CG2-CG2 3.92Å; I375-I377 HydrophobicContact CG2-CG2 4.35Å; I377-F379 HydrophobicContact CD1-CD1 4.17Å; I377-F379 HydrophobicContact CD1-CE1 4.04Å; I377-F379 HydrophobicContact CG1-CD1 4.43Å; I377-F379 HydrophobicContact CG1-CE1 4.42Å; I377-L383 WeakPolarHBondContact O-CA 3.42Å; I377-E384 HydrophobicContact CD1-CB 4.29Å; I377-E384 HydrophobicContact CG1-CB 3.93Å; I377-E384 PolarHBondContact N-O 3.39Å; I377-E384 PolarHBondContact O-N 3.02Å; I377-L386 HydrophobicContact CD1-CD1 3.96Å; I377-L386 HydrophobicContact CG1-CD1 4.32Å |
| 378 | C | 92.8 | Very high | 94 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 139.9 | 167.7 | 67.5 | 0 | 0 | 0 | 0 | 110.4 | L26 Y27 M29 I362 N363 Q364 S382 L383 | L26-C378 HydrophobicContact CB-CB 4.13Å; L26-C378 HydrophobicContact CD1-CB 4.39Å; Y27-C378 PolarHBondContact O-SG 3.42Å; M29-C378 HydrophobicContact SD-CB 3.79Å; I362-C378 CarbonylContact C-O 3.57Å; I362-C378 WeakPolarHBondContact CA-O 3.36Å; N363-C378 PolarHBondContact N-O 3.2Å; Q364-C378 PolarHBondContact N-SG 3.39Å; Q364-C378 PolarHBondContact O-N 2.85Å; Q364-C378 VanDerWaalsContact O-N 3.13Å; C378-S382 WeakPolarHBondContact CA-O 3.41Å; C378-L383 HydrophobicContact CB-CD1 4.14Å |
| 379 | F | 91.5 | Very high | 94 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 1% | 0.013 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 143.5 | 178.6 | 57.6 | -89.8 | 0 | 0 | 0 | 108.7 | A358 E361 I377 N381 S382 E384 | A358-F379 HydrophobicContact CB-CD1 3.79Å; A358-F379 HydrophobicContact CB-CE1 3.96Å; A358-F379 HydrophobicContact CB-CG 4.19Å; E361-F379 WeakPolarHBondContact O-CA 3.45Å; E361-F379 WeakPolarHBondContact O-CB 3.44Å; I377-F379 HydrophobicContact CD1-CD1 4.17Å; I377-F379 HydrophobicContact CD1-CE1 4.04Å; I377-F379 HydrophobicContact CG1-CD1 4.43Å; I377-F379 HydrophobicContact CG1-CE1 4.42Å; F379-N381 PolarHBondContact O-N 3.39Å; F379-N381 VanDerWaalsContact O-N 3.16Å; F379-S382 PolarHBondContact N-O 3.43Å; F379-S382 WeakPolarHBondContact O-CA 3.05Å; F379-S382 PolarHBondContact O-N 3.27Å; F379-E384 HydrophobicContact CE1-CB 4.36Å; F379-E384 HydrophobicContact CE1-CG 3.85Å; F379-E384 WeakPolarHBondContact CE1-OE2 3.28Å; F379-E384 HydrophobicContact CZ-CG 4.08Å |
| 380 | N | 89.9 | Confident | 94 | Very high | 73 Ų | 73 | 32.5 Ų | 32.5 | 39% | 0.39 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | -124.7 | -174.8 | -61.7 | -30.5 | 0 | 0 | 0 | 110.7 | N25 L26 | N25-N380 CarbonylContact C-O 3.57Å; N25-N380 VanDerWaalsContact CA-O 3.23Å; N25-N380 WeakPolarHBondContact CA-O 3.25Å; L26-N380 PolarHBondContact N-O 3.47Å |
| 381 | N | 92.7 | Very high | 94.2 | Very high | 57 Ų | 57 | 30.4 Ų | 30.4 | 31% | 0.305 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 13 | 175.3 | 73.8 | -28.3 | 0 | 0 | 0 | 114 | S22 W24 F379 | S22-N381 VanDerWaalsContact CB-O 3.28Å; S22-N381 WeakPolarHBondContact CB-O 2.97Å; S22-N381 PolarHBondContact N-O 3.44Å; S22-N381 WeakPolarHBondContact O-CB 3.29Å; S22-N381 PolarHBondContact O-ND2 2.86Å; W24-N381 VanDerWaalsContact O-CA 3.28Å; W24-N381 WeakPolarHBondContact O-CA 3.42Å; W24-N381 VanDerWaalsContact O-CB 3.24Å; W24-N381 WeakPolarHBondContact O-CB 3.49Å; F379-N381 PolarHBondContact O-N 3.39Å; F379-N381 VanDerWaalsContact O-N 3.16Å |
| 382 | S | 95.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 142.4 | -171.8 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | R19 Y20 C378 F379 | R19-S382 PolarHBondContact NE-OG 3.18Å; R19-S382 PolarHBondContact NH2-OG 3.35Å; Y20-S382 WeakPolarHBondContact O-CA 3.25Å; C378-S382 WeakPolarHBondContact CA-O 3.41Å; F379-S382 PolarHBondContact N-O 3.43Å; F379-S382 WeakPolarHBondContact O-CA 3.05Å; F379-S382 PolarHBondContact O-N 3.27Å |
| 383 | L | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130 | 165.6 | 174.5 | 90.4 | 0 | 0 | 0 | 107.7 | R19 Y20 L26 M29 I41 V43 I72 A376 I377 C378 | R19-L383 CarbonylContact C-O 3.53Å; R19-L383 WeakPolarHBondContact CA-O 3.3Å; Y20-L383 HydrophobicContact CD1-CB 4.41Å; Y20-L383 PolarHBondContact N-O 3.31Å; Y20-L383 PolarHBondContact O-N 3.3Å; L26-L383 HydrophobicContact CD1-CB 3.91Å; M29-L383 HydrophobicContact SD-CD1 3.32Å; M29-L383 WeakPolarHBondContact SD-CD1 3.36Å; I41-L383 HydrophobicContact CD1-CD2 3.79Å; I41-L383 HydrophobicContact CG2-CD2 4.25Å; V43-L383 HydrophobicContact CG1-CD1 4.34Å; V43-L383 HydrophobicContact CG1-CD2 4.13Å; I72-L383 HydrophobicContact CD1-CD2 3.37Å; A376-L383 HydrophobicContact CB-CD1 4.23Å; I377-L383 WeakPolarHBondContact O-CA 3.42Å; C378-L383 HydrophobicContact CB-CD1 4.14Å |
| 384 | E | 96.1 | Very high | 94.2 | Very high | 14 Ų | 14 | 26.5 Ų | 26.5 | 7% | 0.065 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 136.2 | 172.4 | -67.6 | -179.9 | 163.3 | 0 | 0 | 109.6 | Y18 R19 Y356 A376 I377 F379 L386 | Y18-E384 CarbonylContact O-C 3.54Å; Y18-E384 WeakPolarHBondContact O-CA 2.99Å; R19-E384 HydrophobicContact CB-CG 4.12Å; R19-E384 HydrophobicContact CG-CG 3.91Å; R19-E384 IonicContact NE-OE1 2.8Å; R19-E384 IonicContact NH1-OE1 3.2Å; Y356-E384 PolarHBondContact OH-OE2 3.48Å; A376-E384 CarbonylContact C-O 3.33Å; A376-E384 WeakPolarHBondContact CA-O 3.27Å; I377-E384 HydrophobicContact CD1-CB 4.29Å; I377-E384 HydrophobicContact CG1-CB 3.93Å; I377-E384 PolarHBondContact N-O 3.39Å; I377-E384 PolarHBondContact O-N 3.02Å; F379-E384 HydrophobicContact CE1-CB 4.36Å; F379-E384 HydrophobicContact CE1-CG 3.85Å; F379-E384 WeakPolarHBondContact CE1-OE2 3.28Å; F379-E384 HydrophobicContact CZ-CG 4.08Å; E384-L386 HydrophobicContact CB-CD2 4.34Å |
| 385 | I | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 130.7 | 165.9 | 66.3 | 161.9 | 0 | 0 | 0 | 108.7 | V17 Y18 W31 F39 I41 L74 F81 W374 I375 A376 | V17-I385 WeakPolarHBondContact CA-O 3.46Å; Y18-I385 HydrophobicContact CD2-CD1 3.97Å; Y18-I385 HydrophobicContact CD2-CG1 4.11Å; Y18-I385 HydrophobicContact CG-CD1 4.43Å; Y18-I385 HydrophobicContact CG-CG1 4.38Å; Y18-I385 PolarHBondContact N-O 3.43Å; Y18-I385 PolarHBondContact O-N 2.97Å; W31-I385 HydrophobicContact CH2-CB 3.96Å; W31-I385 HydrophobicContact CH2-CD1 4.09Å; W31-I385 HydrophobicContact CH2-CG2 3.43Å; W31-I385 VanDerWaalsContact CH2-CG2 3.43Å; W31-I385 HydrophobicContact CZ2-CB 4.14Å; W31-I385 HydrophobicContact CZ2-CG2 3.55Å; W31-I385 HydrophobicContact CZ3-CG2 4.47Å; F39-I385 HydrophobicContact CD1-CD1 3.79Å; F39-I385 HydrophobicContact CE1-CD1 4.03Å; I41-I385 HydrophobicContact CD1-CG2 3.7Å; L74-I385 HydrophobicContact CD2-CD1 4.21Å; F81-I385 HydrophobicContact CE2-CD1 4.32Å; F81-I385 HydrophobicContact CE2-CG1 4.08Å; F81-I385 HydrophobicContact CZ-CD1 3.78Å; F81-I385 HydrophobicContact CZ-CG1 3.9Å; F81-I385 HydrophobicContact CZ-CG2 3.94Å; W374-I385 HydrophobicContact CD2-CD1 4.47Å; W374-I385 HydrophobicContact CE3-CB 4.15Å; W374-I385 HydrophobicContact CE3-CD1 3.85Å; W374-I385 HydrophobicContact CE3-CG1 4.02Å; W374-I385 HydrophobicContact CZ3-CD1 4.04Å; W374-I385 HydrophobicContact CZ3-CG1 4.1Å; I375-I385 CarbonylContact O-C 3.59Å; I375-I385 VanDerWaalsContact O-CA 3.25Å; I375-I385 WeakPolarHBondContact O-CA 3.37Å; A376-I385 HydrophobicContact CB-CG2 4.03Å |
| 386 | L | 94.7 | Very high | 93.9 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 6% | 0.063 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 133.4 | -172.6 | -51.9 | 174.8 | 0 | 0 | 0 | 108.4 | V17 Y356 W374 I375 I377 E384 | V17-L386 HydrophobicContact CB-CD2 4.25Å; V17-L386 HydrophobicContact CG1-CD2 3.76Å; V17-L386 HydrophobicContact CG2-CD2 3.65Å; Y356-L386 HydrophobicContact CD1-CD1 3.51Å; Y356-L386 HydrophobicContact CD2-CD1 3.78Å; Y356-L386 HydrophobicContact CD2-CD2 4.2Å; Y356-L386 HydrophobicContact CE1-CD1 3.75Å; Y356-L386 HydrophobicContact CE1-CD2 4.15Å; Y356-L386 HydrophobicContact CE2-CD1 4.01Å; Y356-L386 HydrophobicContact CE2-CD2 3.65Å; Y356-L386 HydrophobicContact CE2-CG 4.49Å; Y356-L386 HydrophobicContact CG-CD1 3.51Å; W374-L386 WeakPolarHBondContact CA-O 3.17Å; W374-L386 VanDerWaalsContact CE3-C 3.45Å; I375-L386 PolarHBondContact N-O 3.2Å; I375-L386 PolarHBondContact O-N 2.8Å; I377-L386 HydrophobicContact CD1-CD1 3.96Å; I377-L386 HydrophobicContact CG1-CD1 4.32Å; E384-L386 HydrophobicContact CB-CD2 4.34Å |
| 387 | R | 93.9 | Very high | 93.7 | Very high | 129 Ų | 129 | 30.5 Ų | 30.5 | 49% | 0.487 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 132.9 | 168.4 | -164.5 | 178.1 | -176.3 | -167.9 | -1.9 | 109.7 | E16 D373 W374 | E16-R387 HydrophobicContact CB-CB 4.49Å; E16-R387 PolarHBondContact O-N 2.94Å; D373-R387 HydrophobicContact CB-CG 4.35Å; D373-R387 CarbonylContact O-C 3.41Å; D373-R387 VanDerWaalsContact O-CA 3.23Å; D373-R387 WeakPolarHBondContact O-CA 3.48Å; D373-R387 WeakPolarHBondContact O-CG 3.38Å; D373-R387 IonicContact OD2-NH2 3.74Å; W374-R387 HydrophobicContact CD2-CB 4.38Å; W374-R387 HydrophobicContact CE3-CB 4.15Å; W374-R387 HydrophobicContact CH2-CB 3.85Å; W374-R387 HydrophobicContact CH2-CG 4.47Å; W374-R387 HydrophobicContact CZ2-CB 4.11Å; W374-R387 HydrophobicContact CZ2-CG 4.24Å; W374-R387 HydrophobicContact CZ3-CB 3.88Å |
| 388 | V | 89.9 | Confident | 93.6 | Very high | 76 Ų | 76 | 33.3 Ų | 33.3 | 46% | 0.461 | 16% | 0.163 | S | C | . | . | trans | -122.7 | 0 | -175.9 | -62.4 | 0 | 0 | 0 | 0 | 113.4 | I339 W367 D373 I375 | I339-V388 HydrophobicContact CD1-CB 3.89Å; I339-V388 HydrophobicContact CD1-CG1 3.71Å; I339-V388 HydrophobicContact CD1-CG2 4.46Å; W367-V388 HydrophobicContact CH2-CG2 4.24Å; W367-V388 HydrophobicContact CZ2-CG2 3.53Å; D373-V388 PolarHBondContact O-N 3.31Å; I375-V388 HydrophobicContact CB-CG1 4.5Å; I375-V388 HydrophobicContact CD1-CG1 3.84Å; I375-V388 HydrophobicContact CD1-CG2 4.16Å; I375-V388 HydrophobicContact CG1-CG1 4.04Å; I375-V388 HydrophobicContact CG1-CG2 4.02Å |
Retrieved 388 of 388 residues in 240.3 ms
(Link to these results)