| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.3 | Very low | 38.9 | Very low | 242 Ų | 242 | 129.7 Ų | 129.7 | 100% | 1.192 | 73% | 0.727 | S | S | * | * | 0 | 100.4 | 0 | -80.2 | 173.2 | 164.5 | 0 | 0 | 108.4 | |||||
| 2 | V | 31.1 | Very low | 39.4 | Very low | 138 Ų | 138 | 128 Ų | 128 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | trans | -103.6 | 103.9 | 171.8 | 178.5 | 0 | 0 | 0 | 0 | 106.4 | T4 | V2-T4 PolarHBondContact O-N 2.94Š| ||
| 3 | L | 30 | Very low | 40 | Very low | 171 Ų | 171 | 123.4 Ų | 123.4 | 90% | 0.895 | 70% | 0.699 | S | S | * | * | trans | -56.6 | 104.8 | 172 | -85.2 | 144 | 0 | 0 | 0 | 108.5 | C5 | L3-C5 PolarHBondContact O-N 3.02Å; L3-C5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | T | 33.3 | Very low | 40.5 | Very low | 136 Ų | 136 | 122.4 Ų | 122.4 | 83% | 0.834 | 70% | 0.699 | S | S | * | * | trans | -75.6 | 98.2 | 173.6 | -3.3 | 0 | 0 | 0 | 0 | 106.6 | V2 A6 | V2-T4 PolarHBondContact O-N 2.94Å; T4-A6 PolarHBondContact O-N 2.96Å | ||
| 5 | C | 32.8 | Very low | 41.3 | Very low | 94 Ų | 94 | 117.9 Ų | 117.9 | 64% | 0.635 | 69% | 0.69 | S | S | * | * | trans | -60.4 | 99.4 | 176.7 | -155.4 | 0 | 0 | 0 | 0 | 108.8 | L3 R7 | L3-C5 PolarHBondContact O-N 3.02Å; L3-C5 VanDerWaalsContact O-N 3.09Å; C5-R7 PolarHBondContact O-N 3.13Å; C5-R7 VanDerWaalsContact SG-CD 3.57Å; C5-R7 VanDerWaalsContact SG-CG 3.58Å | ||
| 6 | A | 38.8 | Very low | 42.6 | Very low | 94 Ų | 94 | 114.5 Ų | 114.5 | 78% | 0.777 | 67% | 0.666 | S | S | * | * | trans | -76.5 | 50.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | T4 T8 | T4-A6 PolarHBondContact O-N 2.96Å; A6-T8 PolarHBondContact O-N 3.12Å | ||
| 7 | R | 44.3 | Very low | 43.7 | Very low | 201 Ų | 201 | 116.6 Ų | 116.6 | 76% | 0.758 | 67% | 0.668 | S | S | * | * | trans | -73.3 | 123.7 | 170 | -83.7 | 177.4 | -177.6 | -179.1 | -0.4 | 107.6 | C5 C9 | C5-R7 PolarHBondContact O-N 3.13Å; C5-R7 VanDerWaalsContact SG-CD 3.57Å; C5-R7 VanDerWaalsContact SG-CG 3.58Å; R7-C9 PolarHBondContact O-N 3.14Å | ||
| 8 | T | 45.3 | Very low | 45 | Very low | 91 Ų | 91 | 114.6 Ų | 114.6 | 56% | 0.558 | 65% | 0.652 | S | S | * | * | trans | -51.7 | 107.1 | 161.5 | 40 | 0 | 0 | 0 | 0 | 107.2 | A6 E10 | A6-T8 PolarHBondContact O-N 3.12Å; T8-E10 PolarHBondContact O-N 3.36Å | ||
| 9 | C | 43.7 | Very low | 46.3 | Very low | 76 Ų | 76 | 114.5 Ų | 114.5 | 51% | 0.514 | 65% | 0.648 | S | S | . | * | trans | -83.4 | 75.4 | 175.7 | -74.3 | 0 | 0 | 0 | 0 | 107.7 | R7 S11 L43 | R7-C9 PolarHBondContact O-N 3.14Å; C9-S11 PolarHBondContact O-N 3.26Å; C9-L43 HydrophobicContact CB-CD2 4.1Å | ||
| 10 | E | 46.7 | Very low | 47.7 | Very low | 126 Ų | 126 | 110.6 Ų | 110.6 | 59% | 0.589 | 63% | 0.627 | S | S | * | * | trans | -73.1 | 122.9 | 166.9 | -73.7 | 172.3 | -146.3 | 0 | 0 | 108.5 | T8 | T8-E10 PolarHBondContact O-N 3.36Š| ||
| 11 | S | 48.8 | Very low | 49.1 | Very low | 58 Ų | 58 | 110.2 Ų | 110.2 | 41% | 0.406 | 62% | 0.623 | S | S | . | * | trans | -115 | 96.4 | 172 | 73 | 0 | 0 | 0 | 0 | 108.8 | C9 | C9-S11 PolarHBondContact O-N 3.26Š| ||
| 12 | T | 45.2 | Very low | 51.2 | Low | 109 Ų | 109 | 101 Ų | 101 | 67% | 0.669 | 58% | 0.58 | S | S | * | * | trans | -104.5 | 125.1 | 172 | -54.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 13 | T | 46.7 | Very low | 53.5 | Low | 68 Ų | 68 | 99.6 Ų | 99.6 | 42% | 0.417 | 57% | 0.573 | S | S | . | * | trans | -118.7 | 140.4 | 167.8 | 36.8 | 0 | 0 | 0 | 0 | 106.6 | P52 | T13-P52 VanDerWaalsContact O-CB 3.23Å; T13-P52 WeakPolarHBondContact O-CB 3.18Å; T13-P52 WeakPolarHBondContact O-CG 3.2Å; T13-P52 VanDerWaalsContact OG1-CD 3.25Å; T13-P52 WeakPolarHBondContact OG1-CD 3.26Å; T13-P52 WeakPolarHBondContact OG1-CG 3.24Å | ||
| 14 | P | 46.6 | Very low | 55.8 | Low | 109 Ų | 109 | 94.9 Ų | 94.9 | 71% | 0.708 | 55% | 0.548 | S | S | * | . | trans | -66.4 | 160.7 | -178.4 | 25.2 | -32.1 | 0 | 0 | 0 | 112.2 | P52 | P14-P52 WeakPolarHBondContact O-CB 3.22Š| ||
| 15 | G | 53 | Low | 57.8 | Low | 55 Ų | 55 | 95.2 Ų | 95.2 | 57% | 0.567 | 54% | 0.538 | S | S | * | . | trans | -54.3 | 152.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G53 | G15-G53 WeakPolarHBondContact CA-O 3.42Š| ||
| 16 | E | 62.5 | Low | 59.6 | Low | 64 Ų | 64 | 97.5 Ų | 97.5 | 30% | 0.299 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 115.8 | 176.1 | -62 | 178 | -137.8 | 0 | 0 | 108.7 | R35 R37 R39 G53 E55 | E16-R35 IonicContact OE2-NH2 3Å; E16-R35 PolarHBondContact OE2-NH2 2.96Å; E16-R37 IonicContact OE1-CZ 3.6Å; E16-R37 IonicContact OE1-NH1 2.84Å; E16-R37 PolarHBondContact OE1-NH1 3.44Å; E16-R37 IonicContact OE1-NH2 3.53Å; E16-R37 IonicContact OE2-CZ 3.09Å; E16-R37 IonicContact OE2-NH1 2.95Å; E16-R37 PolarHBondContact OE2-NH1 3.11Å; E16-R37 IonicContact OE2-NH2 2.56Å; E16-R37 PolarHBondContact OE2-NH2 3.07Å; E16-R39 IonicContact OE1-NH2 3.45Å; E16-R39 PolarHBondContact OE1-NH2 3.37Å; E16-G53 PolarHBondContact N-O 3.34Å; E16-E55 PolarHBondContact O-N 2.84Å |
| 17 | E | 61.7 | Low | 61.4 | Low | 151 Ų | 151 | 94.6 Ų | 94.6 | 71% | 0.706 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130 | 171.5 | -70.2 | 170.3 | -154.3 | 0 | 0 | 108.5 | E55 | E17-E55 WeakPolarHBondContact CA-O 2.89Å; E17-E55 HydrophobicContact CG-CB 4.29Å |
| 18 | E | 67 | Low | 63 | Low | 80 Ų | 80 | 90.1 Ų | 90.1 | 37% | 0.374 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 120.7 | 178.7 | -160.6 | 167 | 173.3 | 0 | 0 | 108.8 | R35 E55 E56 L57 | E18-R35 IonicContact OE2-CZ 2.81Å; E18-R35 IonicContact OE2-NE 2.68Å; E18-R35 PolarHBondContact OE2-NE 3.2Å; E18-R35 IonicContact OE2-NH2 3.09Å; E18-R35 PolarHBondContact OE2-NH2 2.99Å; E18-E55 PolarHBondContact N-O 2.85Å; E18-E55 VanDerWaalsContact N-O 3.12Å; E18-E56 HydrophobicContact CB-CG 4.46Å; E18-L57 PolarHBondContact O-N 2.93Å |
| 19 | L | 69.3 | Low | 64.6 | Low | 112 Ų | 112 | 86 Ų | 86 | 59% | 0.586 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 120 | -176.1 | -56.4 | 178.8 | 0 | 0 | 0 | 109.9 | L57 | L19-L57 WeakPolarHBondContact CA-O 3.23Å; L19-L57 HydrophobicContact CD2-CB 3.46Å; L19-L57 VanDerWaalsContact CD2-CB 3.46Å; L19-L57 HydrophobicContact CD2-CD2 3.71Å; L19-L57 HydrophobicContact CD2-CG 4.16Å |
| 20 | V | 74.1 | Confident | 66.1 | Low | 37 Ų | 37 | 85.7 Ų | 85.7 | 22% | 0.224 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 101.6 | 169.8 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | V22 E33 L57 V58 N59 | V20-V22 HydrophobicContact CG1-CG2 4.07Å; V20-E33 HydrophobicContact CG2-CB 4.47Å; V20-E33 HydrophobicContact CG2-CG 4.5Å; V20-L57 PolarHBondContact N-O 3.47Å; V20-V58 HydrophobicContact CB-CG1 4.48Å; V20-V58 HydrophobicContact CB-CG2 4.38Å; V20-N59 PolarHBondContact O-N 3.22Å |
| 21 | N | 76.8 | Confident | 67.4 | Low | 102 Ų | 102 | 79.8 Ų | 79.8 | 55% | 0.545 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 115 | 174.9 | -70.4 | -20.2 | 0 | 0 | 0 | 109.4 | N59 | N21-N59 WeakPolarHBondContact CA-O 3.16Å; N21-N59 WeakPolarHBondContact OD1-CB 3.41Å; N21-N59 PolarHBondContact OD1-ND2 3.11Å; N21-N59 VanDerWaalsContact OD1-ND2 3.12Å |
| 22 | V | 77.8 | Confident | 68.8 | Low | 48 Ų | 48 | 81.2 Ų | 81.2 | 29% | 0.291 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123.2 | 173.8 | -169.1 | 0 | 0 | 0 | 0 | 108.3 | V20 V29 N59 V60 T61 | V20-V22 HydrophobicContact CG1-CG2 4.07Å; V22-V29 HydrophobicContact CB-CG1 4.01Å; V22-V29 HydrophobicContact CG1-CG1 3.33Å; V22-N59 PolarHBondContact N-O 3.34Å; V22-V60 HydrophobicContact CB-CG1 4.31Å; V22-V60 WeakPolarHBondContact O-CA 3.31Å; V22-T61 PolarHBondContact O-N 3.35Å |
| 23 | T | 79.6 | Confident | 70.3 | Confident | 110 Ų | 110 | 76.6 Ų | 76.6 | 68% | 0.675 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 125 | 177.4 | -53.7 | 0 | 0 | 0 | 0 | 109.5 | T61 | T23-T61 VanDerWaalsContact CA-O 3.29Å; T23-T61 WeakPolarHBondContact CA-O 3.47Å |
| 24 | D | 78.7 | Confident | 71.9 | Confident | 72 Ų | 72 | 80 Ų | 80 | 39% | 0.385 | 44% | 0.437 | S | S | . | . | trans | -123.1 | 168.4 | 167.8 | -154.5 | -16.8 | 0 | 0 | 0 | 109.2 | Q26 V29 T61 | D24-Q26 PolarHBondContact OD1-N 3.21Å; D24-V29 HydrophobicContact CB-CG2 3.23Å; D24-T61 PolarHBondContact N-O 3.48Å; D24-T61 VanDerWaalsContact N-O 3.15Å | ||
| 25 | K | 75.2 | Confident | 73.4 | Confident | 143 Ų | 143 | 75.9 Ų | 75.9 | 62% | 0.622 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -104.4 | -27.5 | 175.4 | -65.2 | 177.5 | -176.1 | 171.7 | 0 | 111.4 | K63 | K25-K63 HydrophobicContact CB-CD 4.4Å; K25-K63 HydrophobicContact CG-CD 4.35Å; K25-K63 WeakPolarHBondContact O-CB 3.44Å |
| 26 | Q | 70.9 | Confident | 74.5 | Confident | 141 Ų | 141 | 80.4 Ų | 80.4 | 66% | 0.659 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -156.8 | 126.9 | -178 | -64 | -177 | -21.4 | 0 | 0 | 111 | D24 D62 | D24-Q26 PolarHBondContact OD1-N 3.21Å; Q26-D62 PolarHBondContact N-OD1 3.22Å |
| 27 | G | 76.3 | Confident | 75.2 | Confident | 34 Ų | 34 | 79.7 Ų | 79.7 | 35% | 0.351 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 135.5 | -134.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q64 G65 V66 | G27-Q64 PolarHBondContact N-O 3.32Å; G27-Q64 VanDerWaalsContact N-O 3.11Å; G27-G65 VanDerWaalsContact O-CA 3.31Å; G27-G65 WeakPolarHBondContact O-CA 3.34Å; G27-V66 PolarHBondContact O-N 2.89Å |
| 28 | V | 77 | Confident | 75.8 | Confident | 106 Ų | 106 | 79.6 Ų | 79.6 | 64% | 0.642 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 107.5 | 179.7 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | V30 V66 | V28-V30 HydrophobicContact CG1-CG2 4.01Å; V28-V66 CarbonylContact C-O 3.57Å; V28-V66 WeakPolarHBondContact CA-O 3.45Å; V28-V66 HydrophobicContact CG1-CB 4.41Å; V28-V66 HydrophobicContact CG2-CB 4.32Å |
| 29 | V | 79.8 | Confident | 76.2 | Confident | 5 Ų | 5 | 79 Ų | 79 | 3% | 0.03 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 122 | -179.1 | -167.7 | 0 | 0 | 0 | 0 | 109.4 | V22 D24 V60 D62 V66 V67 V68 | V22-V29 HydrophobicContact CB-CG1 4.01Å; V22-V29 HydrophobicContact CG1-CG1 3.33Å; D24-V29 HydrophobicContact CB-CG2 3.23Å; V29-V60 HydrophobicContact CB-CG1 4.04Å; V29-V60 HydrophobicContact CG1-CG1 3.42Å; V29-V60 VanDerWaalsContact CG1-CG1 3.42Å; V29-D62 HydrophobicContact CG2-CB 3.97Å; V29-D62 WeakPolarHBondContact CG2-OD2 3.44Å; V29-V66 PolarHBondContact N-O 3.44Å; V29-V67 HydrophobicContact CB-CG1 4.43Å; V29-V67 WeakPolarHBondContact O-CA 3.25Å; V29-V68 PolarHBondContact O-N 3.45Å |
| 30 | V | 74.3 | Confident | 76.5 | Confident | 70 Ų | 70 | 82.2 Ų | 82.2 | 42% | 0.424 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 102.4 | -179.9 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | V28 Q32 V68 | V28-V30 HydrophobicContact CG1-CG2 4.01Å; V30-Q32 HydrophobicContact CG1-CG 3.78Å; V30-Q32 VanDerWaalsContact CG1-NE2 3.35Å; V30-V68 WeakPolarHBondContact CA-O 3.25Å; V30-V68 HydrophobicContact CG2-CB 4.36Å |
| 31 | G | 74.9 | Confident | 76.6 | Confident | 1 Ų | 1 | 81.8 Ų | 81.8 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 121 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | V68 G69 Q70 | G31-V68 PolarHBondContact N-O 3.3Å; G31-G69 CarbonylContact O-C 3.03Å; G31-G69 WeakPolarHBondContact O-CA 3.41Å; G31-Q70 PolarHBondContact O-N 3.01Å |
| 32 | Q | 77.5 | Confident | 76.6 | Confident | 89 Ų | 89 | 81 Ų | 81 | 42% | 0.416 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 126.8 | 174.9 | -71.9 | -173.9 | 29.3 | 0 | 0 | 111.8 | V30 Q70 | V30-Q32 HydrophobicContact CG1-CG 3.78Å; V30-Q32 VanDerWaalsContact CG1-NE2 3.35Å; Q32-Q70 VanDerWaalsContact CA-O 3.3Å; Q32-Q70 WeakPolarHBondContact CA-O 3.35Å; Q32-Q70 HydrophobicContact CG-CB 4.24Å |
| 33 | E | 77.2 | Confident | 76.2 | Confident | 11 Ų | 11 | 80 Ų | 80 | 5% | 0.051 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 135.4 | 168.4 | -163.2 | -179 | 152 | 0 | 0 | 110.5 | V20 V58 Q70 E71 K72 | V20-E33 HydrophobicContact CG2-CB 4.47Å; V20-E33 HydrophobicContact CG2-CG 4.5Å; E33-V58 HydrophobicContact CB-CG2 4.04Å; E33-Q70 PolarHBondContact N-O 3.5Å; E33-E71 HydrophobicContact CB-CG 4.05Å; E33-K72 PolarHBondContact O-N 2.88Å |
| 34 | K | 80.1 | Confident | 75.9 | Confident | 140 Ų | 140 | 76.8 Ų | 76.8 | 61% | 0.609 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 108.3 | 179.1 | -67.9 | -172.8 | -176.1 | 116.2 | 0 | 110.6 | K72 | K34-K72 WeakPolarHBondContact CA-O 3.38Å; K34-K72 HydrophobicContact CG-CB 4.26Å |
| 35 | R | 77.1 | Confident | 75.4 | Confident | 22 Ų | 22 | 77.5 Ų | 77.5 | 8% | 0.083 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 137.3 | -174.9 | -148 | 168.5 | -171.6 | -129.8 | 20.3 | 113.2 | E16 E18 E54 E56 K72 R73 R74 | E16-R35 IonicContact OE2-NH2 3Å; E16-R35 PolarHBondContact OE2-NH2 2.96Å; E18-R35 IonicContact OE2-CZ 2.81Å; E18-R35 IonicContact OE2-NE 2.68Å; E18-R35 PolarHBondContact OE2-NE 3.2Å; E18-R35 IonicContact OE2-NH2 3.09Å; E18-R35 PolarHBondContact OE2-NH2 2.99Å; R35-E54 IonicContact CZ-OE2 3.64Å; R35-E54 IonicContact NH1-OE2 2.68Å; R35-E54 PolarHBondContact NH1-OE2 2.98Å; R35-E54 IonicContact NH2-OE2 3.78Å; R35-E56 VanDerWaalsContact CD-OE2 3.32Å; R35-E56 WeakPolarHBondContact CD-OE2 3.47Å; R35-E56 IonicContact CZ-OE1 3.37Å; R35-E56 IonicContact NE-OE1 3.88Å; R35-E56 IonicContact NH1-OE1 2.6Å; R35-E56 PolarHBondContact NH1-OE1 2.86Å; R35-E56 IonicContact NH1-OE2 3.85Å; R35-K72 PolarHBondContact N-O 2.9Å; R35-R73 WeakPolarHBondContact O-CA 3.32Å; R35-R74 PolarHBondContact O-N 2.83Å |
| 36 | R | 76.3 | Confident | 74.9 | Confident | 151 Ų | 151 | 75.2 Ų | 75.2 | 57% | 0.57 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 111.5 | 176.5 | -179 | 175 | 154 | -173.7 | -16 | 112 | R38 R74 | R36-R38 VanDerWaalsContact NH2-CZ 3.32Å; R36-R74 WeakPolarHBondContact CA-O 3.4Å; R36-R74 HydrophobicContact CG-CB 4.47Å |
| 37 | R | 77.1 | Confident | 74.7 | Confident | 49 Ų | 49 | 68.6 Ų | 68.6 | 19% | 0.185 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 141.5 | 179.1 | -63 | 178.6 | 169.7 | -129.2 | -26.8 | 112.7 | E16 E54 R74 R75 R76 | E16-R37 IonicContact OE1-CZ 3.6Å; E16-R37 IonicContact OE1-NH1 2.84Å; E16-R37 PolarHBondContact OE1-NH1 3.44Å; E16-R37 IonicContact OE1-NH2 3.53Å; E16-R37 IonicContact OE2-CZ 3.09Å; E16-R37 IonicContact OE2-NH1 2.95Å; E16-R37 PolarHBondContact OE2-NH1 3.11Å; E16-R37 IonicContact OE2-NH2 2.56Å; E16-R37 PolarHBondContact OE2-NH2 3.07Å; R37-E54 IonicContact CZ-OE2 3.29Å; R37-E54 VanDerWaalsContact CZ-OE2 3.29Å; R37-E54 IonicContact NE-OE2 3.42Å; R37-E54 PolarHBondContact NE-OE2 2.97Å; R37-E54 IonicContact NH1-OE1 3.76Å; R37-E54 IonicContact NH1-OE2 2.75Å; R37-E54 PolarHBondContact NH1-OE2 2.82Å; R37-R74 PolarHBondContact N-O 3.49Å; R37-R75 HydrophobicContact CB-CG 4.01Å; R37-R75 CarbonylContact O-C 3.51Å; R37-R75 WeakPolarHBondContact O-CA 3.35Å; R37-R76 PolarHBondContact O-N 2.96Å |
| 38 | R | 75.3 | Confident | 74.5 | Confident | 148 Ų | 148 | 71.4 Ų | 71.4 | 56% | 0.558 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 116.5 | 170.2 | -64.2 | -174.8 | 176.5 | -167.6 | 2.4 | 107.7 | R36 R76 | R36-R38 VanDerWaalsContact NH2-CZ 3.32Å; R38-R76 CarbonylContact C-O 3.14Å; R38-R76 WeakPolarHBondContact CA-O 3.45Å; R38-R76 HydrophobicContact CG-CB 4.36Å |
| 39 | R | 74.3 | Confident | 74.1 | Confident | 69 Ų | 69 | 66.4 Ų | 66.4 | 26% | 0.26 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 134.8 | 172.6 | -63.4 | -171.3 | -178.1 | -152.8 | 4.8 | 109.1 | E16 R76 R77 R78 | E16-R39 IonicContact OE1-NH2 3.45Å; E16-R39 PolarHBondContact OE1-NH2 3.37Å; R39-R76 PolarHBondContact N-O 3.27Å; R39-R77 HydrophobicContact CB-CG 4.41Å; R39-R77 WeakPolarHBondContact O-CA 3.19Å; R39-R78 PolarHBondContact O-N 3.4Å |
| 40 | R | 76.9 | Confident | 73.7 | Confident | 178 Ų | 178 | 69 Ų | 69 | 67% | 0.672 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 115 | 172.5 | -178.8 | -179.8 | -179.9 | -177.1 | -3.4 | 106.6 | R78 | R40-R78 CarbonylContact C-O 3.59Å; R40-R78 WeakPolarHBondContact CA-O 3.46Å |
| 41 | T | 76 | Confident | 73.3 | Confident | 28 Ų | 28 | 66.3 Ų | 66.3 | 17% | 0.172 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 130.3 | 176 | -42.9 | 0 | 0 | 0 | 0 | 107.4 | L43 R78 T79 T80 | T41-L43 HydrophobicContact CG2-CD1 4.35Å; T41-L43 HydrophobicContact CG2-CD2 3.94Å; T41-L43 HydrophobicContact CG2-CG 3.86Å; T41-R78 PolarHBondContact N-O 3.31Å; T41-T79 WeakPolarHBondContact O-CA 3.13Å; T41-T80 PolarHBondContact O-N 3.38Å |
| 42 | T | 75.8 | Confident | 72.7 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 53% | 0.528 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 107.3 | 172.1 | -58.4 | 0 | 0 | 0 | 0 | 105.5 | T80 | T42-T80 VanDerWaalsContact CA-O 3.31Å; T42-T80 WeakPolarHBondContact CA-O 3.32Å |
| 43 | L | 70.6 | Confident | 72.1 | Confident | 26 Ų | 26 | 63.5 Ų | 63.5 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | trans | -104.8 | 155.1 | 179.4 | -58.4 | -177.1 | 0 | 0 | 0 | 109.8 | C9 T41 E48 T80 L81 G82 | C9-L43 HydrophobicContact CB-CD2 4.1Å; T41-L43 HydrophobicContact CG2-CD1 4.35Å; T41-L43 HydrophobicContact CG2-CD2 3.94Å; T41-L43 HydrophobicContact CG2-CG 3.86Å; L43-E48 WeakPolarHBondContact CD1-O 3.42Å; L43-T80 PolarHBondContact N-O 3.4Å; L43-T80 VanDerWaalsContact N-O 3.13Å; L43-L81 HydrophobicContact CB-CD2 3.68Å; L43-L81 HydrophobicContact CD1-CD2 3.65Å; L43-L81 HydrophobicContact CG-CD2 3.71Å; L43-G82 PolarHBondContact O-N 3.35Å | ||
| 44 | G | 72.6 | Confident | 71.7 | Confident | 43 Ų | 43 | 63 Ų | 63 | 44% | 0.443 | 31% | 0.309 | S | S | . | . | trans | -69.4 | -158.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L46 G82 | G44-L46 VanDerWaalsContact C-N 3.31Å; G44-L46 PolarHBondContact O-N 3.43Å; G44-G82 VanDerWaalsContact O-CA 3.3Å; G44-G82 WeakPolarHBondContact O-CA 3.42Å; G44-G82 PolarHBondContact O-N 3.12Å | ||
| 45 | P | 67.7 | Low | 71.1 | Confident | 87 Ų | 87 | 61 Ų | 61 | 57% | 0.565 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -67.7 | -27.7 | -170.8 | 26.8 | -34.1 | 0 | 0 | 0 | 115.2 | P83 L84 | P45-P83 HydrophobicContact CB-CG 3.74Å; P45-L84 PolarHBondContact O-N 2.6Å |
| 46 | L | 65.7 | Low | 70.8 | Confident | 96 Ų | 96 | 60.2 Ų | 60.2 | 50% | 0.503 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 85.3 | 175.1 | -56.3 | -179.5 | 0 | 0 | 0 | 107.3 | G44 L84 | G44-L46 VanDerWaalsContact C-N 3.31Å; G44-L46 PolarHBondContact O-N 3.43Å; L46-L84 WeakPolarHBondContact CA-O 3.39Å; L46-L84 HydrophobicContact CD2-CB 3.76Å; L46-L84 HydrophobicContact CD2-CD1 3.52Å; L46-L84 HydrophobicContact CD2-CG 3.85Å |
| 47 | G | 66.1 | Low | 70.7 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 107.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L81 L84 G85 E86 | G47-L81 WeakPolarHBondContact O-CD1 3.49Å; G47-L84 PolarHBondContact N-O 2.86Å; G47-G85 VanDerWaalsContact O-CA 3.3Å; G47-G85 WeakPolarHBondContact O-CA 3.43Å; G47-E86 PolarHBondContact O-N 2.61Å |
| 48 | E | 71.4 | Confident | 70.5 | Confident | 93 Ų | 93 | 52.5 Ų | 52.5 | 44% | 0.435 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 125.4 | 169.3 | -67.2 | -179.2 | -157 | 0 | 0 | 110.2 | L43 E86 | L43-E48 WeakPolarHBondContact CD1-O 3.42Å; E48-E86 WeakPolarHBondContact CA-O 3.36Å; E48-E86 HydrophobicContact CG-CB 4.35Å |
| 49 | S | 70 | Confident | 70.8 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 104.3 | 175.9 | -175.8 | 0 | 0 | 0 | 0 | 110.3 | E86 S87 T88 | S49-E86 PolarHBondContact N-O 2.9Å; S49-S87 WeakPolarHBondContact O-CA 3.45Å; S49-T88 PolarHBondContact O-N 2.97Å; S49-T88 VanDerWaalsContact O-N 3.08Å; S49-T88 VanDerWaalsContact O-O 3.1Å |
| 50 | T | 70.3 | Confident | 70.9 | Confident | 58 Ų | 58 | 43.9 Ų | 43.9 | 36% | 0.356 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 139.8 | 164.8 | -56.6 | 0 | 0 | 0 | 0 | 109.1 | T88 | T50-T88 WeakPolarHBondContact CA-O 3.37Å |
| 51 | T | 66 | Low | 71.1 | Confident | 14 Ų | 14 | 37.8 Ų | 37.8 | 9% | 0.086 | 23% | 0.226 | C | C | . | . | trans | -109.5 | 161.3 | 167.5 | 59.5 | 0 | 0 | 0 | 0 | 109.4 | R77 T88 T89 P90 | T51-R77 VanDerWaalsContact CB-NH1 3.25Å; T51-R77 VanDerWaalsContact CG2-NH1 3.34Å; T51-R77 PolarHBondContact OG1-NH1 2.93Å; T51-T88 PolarHBondContact N-O 3.2Å; T51-T89 HydrophobicContact CG2-CG2 4.33Å; T51-T89 WeakPolarHBondContact OG1-CA 3.48Å; T51-T89 WeakPolarHBondContact OG1-CB 3.37Å; T51-T89 WeakPolarHBondContact OG1-CG2 3.46Å; T51-P90 WeakPolarHBondContact O-CD 3.08Å; T51-P90 WeakPolarHBondContact O-CG 3.3Å; T51-P90 WeakPolarHBondContact OG1-CD 3.36Å | ||
| 52 | P | 62.9 | Low | 71.3 | Confident | 7 Ų | 7 | 36.5 Ų | 36.5 | 5% | 0.045 | 22% | 0.218 | C | C | . | . | trans | -73.1 | 157.4 | 171.7 | 19.1 | -25.3 | 0 | 0 | 0 | 113.4 | T13 P14 P90 | T13-P52 VanDerWaalsContact O-CB 3.23Å; T13-P52 WeakPolarHBondContact O-CB 3.18Å; T13-P52 WeakPolarHBondContact O-CG 3.2Å; T13-P52 VanDerWaalsContact OG1-CD 3.25Å; T13-P52 WeakPolarHBondContact OG1-CD 3.26Å; T13-P52 WeakPolarHBondContact OG1-CG 3.24Å; P14-P52 WeakPolarHBondContact O-CB 3.22Å; P52-P90 WeakPolarHBondContact O-CG 3.43Å | ||
| 53 | G | 64.8 | Low | 71.4 | Confident | 25 Ų | 25 | 36.9 Ų | 36.9 | 26% | 0.258 | 21% | 0.212 | S | C | . | . | trans | -74.5 | 154.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | G15 E16 G91 | G15-G53 WeakPolarHBondContact CA-O 3.42Å; E16-G53 PolarHBondContact N-O 3.34Å; G53-G91 VanDerWaalsContact CA-O 3.29Å; G53-G91 WeakPolarHBondContact CA-O 3.46Å | ||
| 54 | E | 69.1 | Low | 71.6 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 121.1 | -176.4 | -59 | -178.2 | -120.4 | 0 | 0 | 107.6 | R35 R37 R75 R77 G91 E92 E93 | R35-E54 IonicContact CZ-OE2 3.64Å; R35-E54 IonicContact NH1-OE2 2.68Å; R35-E54 PolarHBondContact NH1-OE2 2.98Å; R35-E54 IonicContact NH2-OE2 3.78Å; R37-E54 IonicContact CZ-OE2 3.29Å; R37-E54 VanDerWaalsContact CZ-OE2 3.29Å; R37-E54 IonicContact NE-OE2 3.42Å; R37-E54 PolarHBondContact NE-OE2 2.97Å; R37-E54 IonicContact NH1-OE1 3.76Å; R37-E54 IonicContact NH1-OE2 2.75Å; R37-E54 PolarHBondContact NH1-OE2 2.82Å; E54-R75 VanDerWaalsContact CB-NH2 3.25Å; E54-R75 IonicContact OE1-CZ 3.69Å; E54-R75 IonicContact OE1-NE 3.74Å; E54-R75 IonicContact OE1-NH1 3.76Å; E54-R75 PolarHBondContact OE1-NH1 3Å; E54-R75 IonicContact OE1-NH2 3.25Å; E54-R75 IonicContact OE2-CZ 3.87Å; E54-R75 IonicContact OE2-NE 2.59Å; E54-R75 PolarHBondContact OE2-NE 2.88Å; E54-R75 IonicContact OE2-NH1 3.31Å; E54-R75 PolarHBondContact OE2-NH1 2.88Å; E54-R75 IonicContact OE2-NH2 3.74Å; E54-R75 PolarHBondContact OE2-NH2 2.89Å; E54-R77 IonicContact OE1-NH2 2.89Å; E54-R77 PolarHBondContact OE1-NH2 2.91Å; E54-G91 PolarHBondContact N-O 3.3Å; E54-E92 WeakPolarHBondContact O-CA 3.44Å; E54-E93 PolarHBondContact O-N 3Å |
| 55 | E | 68 | Low | 72 | Confident | 98 Ų | 98 | 39.2 Ų | 39.2 | 46% | 0.458 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 125 | 176.5 | -65.1 | 178 | -161.2 | 0 | 0 | 107.9 | E16 E17 E18 E93 | E16-E55 PolarHBondContact O-N 2.84Å; E17-E55 WeakPolarHBondContact CA-O 2.89Å; E17-E55 HydrophobicContact CG-CB 4.29Å; E18-E55 PolarHBondContact N-O 2.85Å; E18-E55 VanDerWaalsContact N-O 3.12Å; E55-E93 WeakPolarHBondContact CA-O 3.4Å; E55-E93 HydrophobicContact CG-CB 4.32Å |
| 56 | E | 70.1 | Confident | 72.7 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 2% | 0.023 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 125.9 | -177.3 | -72 | 169.4 | -135.3 | 0 | 0 | 108.7 | E18 R35 R73 R75 E93 E94 L95 | E18-E56 HydrophobicContact CB-CG 4.46Å; R35-E56 VanDerWaalsContact CD-OE2 3.32Å; R35-E56 WeakPolarHBondContact CD-OE2 3.47Å; R35-E56 IonicContact CZ-OE1 3.37Å; R35-E56 IonicContact NE-OE1 3.88Å; R35-E56 IonicContact NH1-OE1 2.6Å; R35-E56 PolarHBondContact NH1-OE1 2.86Å; R35-E56 IonicContact NH1-OE2 3.85Å; E56-R73 IonicContact OE1-NE 3.34Å; E56-R73 PolarHBondContact OE1-NE 2.85Å; E56-R73 IonicContact OE2-NE 3.05Å; E56-R75 IonicContact OE1-CZ 2.76Å; E56-R75 IonicContact OE1-NH2 2.58Å; E56-R75 PolarHBondContact OE1-NH2 2.8Å; E56-E93 PolarHBondContact N-O 2.85Å; E56-E94 HydrophobicContact CB-CG 4.42Å; E56-E94 WeakPolarHBondContact O-CA 3.35Å; E56-L95 PolarHBondContact O-N 2.82Å |
| 57 | L | 73.4 | Confident | 73.4 | Confident | 38 Ų | 38 | 33 Ų | 33 | 20% | 0.199 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 121.7 | -178.9 | -175.8 | 66.5 | 0 | 0 | 0 | 111 | E18 L19 V20 N59 L95 | E18-L57 PolarHBondContact O-N 2.93Å; L19-L57 WeakPolarHBondContact CA-O 3.23Å; L19-L57 HydrophobicContact CD2-CB 3.46Å; L19-L57 VanDerWaalsContact CD2-CB 3.46Å; L19-L57 HydrophobicContact CD2-CD2 3.71Å; L19-L57 HydrophobicContact CD2-CG 4.16Å; V20-L57 PolarHBondContact N-O 3.47Å; L57-N59 WeakPolarHBondContact CD1-OD1 3.17Å; L57-N59 WeakPolarHBondContact CD2-ND2 3.4Å; L57-N59 WeakPolarHBondContact CG-ND2 3.39Å; L57-L95 CarbonylContact C-O 3.57Å; L57-L95 WeakPolarHBondContact CA-O 3.41Å; L57-L95 HydrophobicContact CD1-CB 3.47Å; L57-L95 VanDerWaalsContact CD1-CB 3.47Å; L57-L95 HydrophobicContact CD1-CD2 3.37Å; L57-L95 HydrophobicContact CD1-CG 3.31Å |
| 58 | V | 74.8 | Confident | 74 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 105.1 | 169.7 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | V20 E33 V60 E71 L95 V96 N97 | V20-V58 HydrophobicContact CB-CG1 4.48Å; V20-V58 HydrophobicContact CB-CG2 4.38Å; E33-V58 HydrophobicContact CB-CG2 4.04Å; V58-V60 HydrophobicContact CG1-CG2 4Å; V58-E71 HydrophobicContact CG2-CB 4.4Å; V58-E71 HydrophobicContact CG2-CG 4.16Å; V58-L95 PolarHBondContact N-O 2.97Å; V58-V96 HydrophobicContact CB-CG2 4.45Å; V58-V96 WeakPolarHBondContact O-CA 3.22Å; V58-N97 PolarHBondContact O-N 2.85Å |
| 59 | N | 80.1 | Confident | 74.4 | Confident | 35 Ų | 35 | 29.7 Ų | 29.7 | 19% | 0.187 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 121.1 | 171.2 | -60.3 | -40.1 | 0 | 0 | 0 | 110.2 | V20 N21 V22 L57 N97 | V20-N59 PolarHBondContact O-N 3.22Å; N21-N59 WeakPolarHBondContact CA-O 3.16Å; N21-N59 WeakPolarHBondContact OD1-CB 3.41Å; N21-N59 PolarHBondContact OD1-ND2 3.11Å; N21-N59 VanDerWaalsContact OD1-ND2 3.12Å; V22-N59 PolarHBondContact N-O 3.34Å; L57-N59 WeakPolarHBondContact CD1-OD1 3.17Å; L57-N59 WeakPolarHBondContact CD2-ND2 3.4Å; L57-N59 WeakPolarHBondContact CG-ND2 3.39Å; N59-N97 VanDerWaalsContact CA-O 3.3Å; N59-N97 WeakPolarHBondContact CA-O 3.14Å; N59-N97 VanDerWaalsContact OD1-CB 3.26Å; N59-N97 WeakPolarHBondContact OD1-CB 3.07Å |
| 60 | V | 77.2 | Confident | 74.9 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 121.4 | 172.3 | -165.6 | 0 | 0 | 0 | 0 | 108.2 | V22 V29 V58 V67 N97 V98 T99 | V22-V60 HydrophobicContact CB-CG1 4.31Å; V22-V60 WeakPolarHBondContact O-CA 3.31Å; V29-V60 HydrophobicContact CB-CG1 4.04Å; V29-V60 HydrophobicContact CG1-CG1 3.42Å; V29-V60 VanDerWaalsContact CG1-CG1 3.42Å; V58-V60 HydrophobicContact CG1-CG2 4Å; V60-V67 HydrophobicContact CB-CG1 3.8Å; V60-V67 HydrophobicContact CG1-CG1 3.26Å; V60-N97 PolarHBondContact N-O 2.86Å; V60-V98 HydrophobicContact CB-CG1 4.24Å; V60-V98 WeakPolarHBondContact O-CA 3.34Å; V60-T99 PolarHBondContact O-N 2.57Å |
| 61 | T | 81.4 | Confident | 75.4 | Confident | 51 Ų | 51 | 28.5 Ų | 28.5 | 31% | 0.313 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131.1 | 178.7 | -56.3 | 0 | 0 | 0 | 0 | 110.1 | V22 T23 D24 T99 | V22-T61 PolarHBondContact O-N 3.35Å; T23-T61 VanDerWaalsContact CA-O 3.29Å; T23-T61 WeakPolarHBondContact CA-O 3.47Å; D24-T61 PolarHBondContact N-O 3.48Å; D24-T61 VanDerWaalsContact N-O 3.15Å; T61-T99 VanDerWaalsContact CA-O 3.28Å; T61-T99 WeakPolarHBondContact CA-O 3.41Å |
| 62 | D | 79 | Confident | 76.1 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | trans | -128.2 | 167.7 | 166.2 | -160.7 | -5.2 | 0 | 0 | 0 | 109.2 | Q26 V29 Q64 V67 T99 | Q26-D62 PolarHBondContact N-OD1 3.22Å; V29-D62 HydrophobicContact CG2-CB 3.97Å; V29-D62 WeakPolarHBondContact CG2-OD2 3.44Å; D62-Q64 PolarHBondContact OD1-N 2.95Å; D62-V67 HydrophobicContact CB-CG2 3.27Å; D62-T99 PolarHBondContact N-O 3.03Å | ||
| 63 | K | 78.8 | Confident | 77 | Confident | 93 Ų | 93 | 30.9 Ų | 30.9 | 40% | 0.404 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -98.8 | -34.6 | 169.4 | -59.4 | 179.7 | -179.7 | -179.4 | 0 | 111.5 | K25 K101 | K25-K63 HydrophobicContact CB-CD 4.4Å; K25-K63 HydrophobicContact CG-CD 4.35Å; K25-K63 WeakPolarHBondContact O-CB 3.44Å; K63-K101 HydrophobicContact CB-CD 4.31Å; K63-K101 HydrophobicContact CG-CD 4.4Å; K63-K101 WeakPolarHBondContact O-CB 3.31Å |
| 64 | Q | 74.3 | Confident | 77.5 | Confident | 94 Ų | 94 | 33 Ų | 33 | 44% | 0.439 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -155.4 | 116.1 | -175.7 | -66.3 | -176.2 | -32.5 | 0 | 0 | 111.2 | G27 D62 D100 Q102 | G27-Q64 PolarHBondContact N-O 3.32Å; G27-Q64 VanDerWaalsContact N-O 3.11Å; D62-Q64 PolarHBondContact OD1-N 2.95Å; Q64-D100 PolarHBondContact N-OD1 2.97Å; Q64-Q102 WeakPolarHBondContact CA-O 3.43Å |
| 65 | G | 81.6 | Confident | 78 | Confident | 24 Ų | 24 | 33 Ų | 33 | 25% | 0.247 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.1 | -128.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | G27 D100 Q102 G103 V104 | G27-G65 VanDerWaalsContact O-CA 3.31Å; G27-G65 WeakPolarHBondContact O-CA 3.34Å; G65-D100 PolarHBondContact N-OD2 3.2Å; G65-Q102 PolarHBondContact N-O 2.92Å; G65-G103 CarbonylContact O-C 3.6Å; G65-G103 WeakPolarHBondContact O-CA 3.34Å; G65-V104 PolarHBondContact O-N 2.71Å |
| 66 | V | 81.6 | Confident | 78.3 | Confident | 54 Ų | 54 | 31.9 Ų | 31.9 | 33% | 0.327 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 114.4 | 179.2 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | G27 V28 V29 V68 V104 | G27-V66 PolarHBondContact O-N 2.89Å; V28-V66 CarbonylContact C-O 3.57Å; V28-V66 WeakPolarHBondContact CA-O 3.45Å; V28-V66 HydrophobicContact CG1-CB 4.41Å; V28-V66 HydrophobicContact CG2-CB 4.32Å; V29-V66 PolarHBondContact N-O 3.44Å; V66-V68 HydrophobicContact CG1-CG2 4.05Å; V66-V104 CarbonylContact C-O 3.58Å; V66-V104 WeakPolarHBondContact CA-O 3.38Å; V66-V104 HydrophobicContact CG1-CB 4.36Å; V66-V104 HydrophobicContact CG2-CB 4.31Å |
| 67 | V | 81 | Confident | 78.7 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 121.2 | -177.9 | -164.9 | 0 | 0 | 0 | 0 | 109.6 | V29 V60 D62 V98 D100 V104 V105 V106 | V29-V67 HydrophobicContact CB-CG1 4.43Å; V29-V67 WeakPolarHBondContact O-CA 3.25Å; V60-V67 HydrophobicContact CB-CG1 3.8Å; V60-V67 HydrophobicContact CG1-CG1 3.26Å; D62-V67 HydrophobicContact CB-CG2 3.27Å; V67-V98 HydrophobicContact CB-CG1 3.92Å; V67-V98 HydrophobicContact CG1-CG1 3.34Å; V67-D100 HydrophobicContact CG2-CB 3.81Å; V67-V104 PolarHBondContact N-O 3.3Å; V67-V105 HydrophobicContact CB-CG1 4.34Å; V67-V105 CarbonylContact O-C 3.6Å; V67-V105 WeakPolarHBondContact O-CA 3.26Å; V67-V106 PolarHBondContact O-N 3.11Å |
| 68 | V | 78.9 | Confident | 79 | Confident | 24 Ų | 24 | 35.4 Ų | 35.4 | 15% | 0.145 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 105.8 | 179.5 | -175.1 | 0 | 0 | 0 | 0 | 109.5 | V29 V30 G31 V66 Q70 V106 | V29-V68 PolarHBondContact O-N 3.45Å; V30-V68 WeakPolarHBondContact CA-O 3.25Å; V30-V68 HydrophobicContact CG2-CB 4.36Å; G31-V68 PolarHBondContact N-O 3.3Å; V66-V68 HydrophobicContact CG1-CG2 4.05Å; V68-Q70 HydrophobicContact CG1-CG 3.79Å; V68-V106 CarbonylContact C-O 3.56Å; V68-V106 WeakPolarHBondContact CA-O 3.1Å; V68-V106 HydrophobicContact CG1-CB 4.42Å; V68-V106 HydrophobicContact CG2-CB 4.32Å |
| 69 | G | 78.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 122.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | G31 V106 G107 Q108 | G31-G69 CarbonylContact O-C 3.03Å; G31-G69 WeakPolarHBondContact O-CA 3.41Å; G69-V106 PolarHBondContact N-O 3.46Å; G69-G107 CarbonylContact O-C 2.98Å; G69-G107 WeakPolarHBondContact O-CA 3.49Å; G69-Q108 PolarHBondContact O-N 3.12Å |
| 70 | Q | 80.9 | Confident | 79.1 | Confident | 33 Ų | 33 | 36.1 Ų | 36.1 | 15% | 0.154 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 131.2 | 171.5 | -51.5 | -174.8 | 3.4 | 0 | 0 | 112.8 | G31 Q32 E33 V68 Q108 | G31-Q70 PolarHBondContact O-N 3.01Å; Q32-Q70 VanDerWaalsContact CA-O 3.3Å; Q32-Q70 WeakPolarHBondContact CA-O 3.35Å; Q32-Q70 HydrophobicContact CG-CB 4.24Å; E33-Q70 PolarHBondContact N-O 3.5Å; V68-Q70 HydrophobicContact CG1-CG 3.79Å; Q70-Q108 CarbonylContact C-O 3.56Å; Q70-Q108 VanDerWaalsContact CA-O 3.24Å; Q70-Q108 WeakPolarHBondContact CA-O 3.43Å; Q70-Q108 HydrophobicContact CG-CB 4.21Å |
| 71 | E | 80.7 | Confident | 78.9 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 133.8 | 170.2 | -153.7 | -143 | 113 | 0 | 0 | 110 | E33 V58 V96 Q108 E109 K110 | E33-E71 HydrophobicContact CB-CG 4.05Å; V58-E71 HydrophobicContact CG2-CB 4.4Å; V58-E71 HydrophobicContact CG2-CG 4.16Å; E71-V96 HydrophobicContact CB-CG2 3.8Å; E71-Q108 PolarHBondContact N-O 2.84Å; E71-E109 HydrophobicContact CB-CG 4.05Å; E71-K110 PolarHBondContact O-N 3.01Å |
| 72 | K | 82 | Confident | 78.5 | Confident | 65 Ų | 65 | 34.7 Ų | 34.7 | 28% | 0.283 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 113.2 | 177.9 | -60.4 | -168.4 | 177.8 | 93.2 | 0 | 111.1 | E33 K34 R35 K110 | E33-K72 PolarHBondContact O-N 2.88Å; K34-K72 WeakPolarHBondContact CA-O 3.38Å; K34-K72 HydrophobicContact CG-CB 4.26Å; R35-K72 PolarHBondContact N-O 2.9Å; K72-K110 WeakPolarHBondContact CA-O 3.44Å; K72-K110 HydrophobicContact CG-CB 4.22Å |
| 73 | R | 79.8 | Confident | 78.1 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 2% | 0.023 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 139.5 | -175 | -171.5 | 174.9 | 178.1 | -112.5 | -87.8 | 114.6 | R35 E56 R75 E92 E94 K110 R111 R112 | R35-R73 WeakPolarHBondContact O-CA 3.32Å; E56-R73 IonicContact OE1-NE 3.34Å; E56-R73 PolarHBondContact OE1-NE 2.85Å; E56-R73 IonicContact OE2-NE 3.05Å; R73-R75 HydrophobicContact CG-CG 4.24Å; R73-R75 VanDerWaalsContact NH1-NH2 3.15Å; R73-E92 IonicContact CZ-OE2 3.32Å; R73-E92 IonicContact NH1-OE2 3.95Å; R73-E92 PolarHBondContact NH1-OE2 2.98Å; R73-E92 IonicContact NH2-OE2 2.58Å; R73-E92 PolarHBondContact NH2-OE2 2.86Å; R73-E94 WeakPolarHBondContact CD-OE1 3.39Å; R73-E94 IonicContact CZ-OE1 2.64Å; R73-E94 IonicContact CZ-OE2 3.3Å; R73-E94 IonicContact NE-OE1 3.99Å; R73-E94 PolarHBondContact NE-OE1 2.83Å; R73-E94 IonicContact NE-OE2 2.74Å; R73-E94 IonicContact NH1-OE1 2.69Å; R73-E94 PolarHBondContact NH1-OE1 2.88Å; R73-E94 IonicContact NH1-OE2 3.85Å; R73-E94 PolarHBondContact NH1-OE2 2.78Å; R73-K110 PolarHBondContact N-O 2.9Å; R73-R111 HydrophobicContact CB-CG 4.39Å; R73-R112 PolarHBondContact O-N 3.27Å |
| 74 | R | 76.7 | Confident | 77.6 | Confident | 69 Ų | 69 | 37.3 Ų | 37.3 | 26% | 0.26 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 102.8 | 174.9 | -177.9 | 175.2 | 158.3 | -178.4 | -10.5 | 112 | R35 R36 R37 R76 R112 | R35-R74 PolarHBondContact O-N 2.83Å; R36-R74 WeakPolarHBondContact CA-O 3.4Å; R36-R74 HydrophobicContact CG-CB 4.47Å; R37-R74 PolarHBondContact N-O 3.49Å; R74-R76 VanDerWaalsContact NH2-CZ 3.32Å; R74-R112 WeakPolarHBondContact CA-O 3.4Å; R74-R112 HydrophobicContact CG-CB 4.49Å |
| 75 | R | 79.1 | Confident | 77.4 | Confident | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.011 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 137.4 | 173.1 | -57.5 | -152.8 | -165.6 | 140.8 | 6.9 | 112.6 | R37 E54 E56 R73 E92 R112 R113 R114 | R37-R75 HydrophobicContact CB-CG 4.01Å; R37-R75 CarbonylContact O-C 3.51Å; R37-R75 WeakPolarHBondContact O-CA 3.35Å; E54-R75 VanDerWaalsContact CB-NH2 3.25Å; E54-R75 IonicContact OE1-CZ 3.69Å; E54-R75 IonicContact OE1-NE 3.74Å; E54-R75 IonicContact OE1-NH1 3.76Å; E54-R75 PolarHBondContact OE1-NH1 3Å; E54-R75 IonicContact OE1-NH2 3.25Å; E54-R75 IonicContact OE2-CZ 3.87Å; E54-R75 IonicContact OE2-NE 2.59Å; E54-R75 PolarHBondContact OE2-NE 2.88Å; E54-R75 IonicContact OE2-NH1 3.31Å; E54-R75 PolarHBondContact OE2-NH1 2.88Å; E54-R75 IonicContact OE2-NH2 3.74Å; E54-R75 PolarHBondContact OE2-NH2 2.89Å; E56-R75 IonicContact OE1-CZ 2.76Å; E56-R75 IonicContact OE1-NH2 2.58Å; E56-R75 PolarHBondContact OE1-NH2 2.8Å; R73-R75 HydrophobicContact CG-CG 4.24Å; R73-R75 VanDerWaalsContact NH1-NH2 3.15Å; R75-E92 IonicContact CZ-OE2 3.06Å; R75-E92 IonicContact NH1-OE1 2.82Å; R75-E92 PolarHBondContact NH1-OE1 3.32Å; R75-E92 IonicContact NH1-OE2 3.93Å; R75-E92 PolarHBondContact NH1-OE2 2.89Å; R75-R112 PolarHBondContact N-O 2.9Å; R75-R112 VanDerWaalsContact N-O 3.14Å; R75-R113 WeakPolarHBondContact O-CA 3.4Å; R75-R114 PolarHBondContact O-N 2.95Å |
| 76 | R | 74.4 | Confident | 77.1 | Confident | 73 Ų | 73 | 36 Ų | 36 | 28% | 0.275 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 119.5 | 169.2 | -63.3 | -174 | 175.3 | -167.6 | -1.2 | 108.7 | R37 R38 R39 R74 R114 | R37-R76 PolarHBondContact O-N 2.96Å; R38-R76 CarbonylContact C-O 3.14Å; R38-R76 WeakPolarHBondContact CA-O 3.45Å; R38-R76 HydrophobicContact CG-CB 4.36Å; R39-R76 PolarHBondContact N-O 3.27Å; R74-R76 VanDerWaalsContact NH2-CZ 3.32Å; R76-R114 CarbonylContact C-O 3.56Å; R76-R114 WeakPolarHBondContact CA-O 3.34Å; R76-R114 HydrophobicContact CG-CB 4.28Å |
| 77 | R | 78.4 | Confident | 76.7 | Confident | 18 Ų | 18 | 33.4 Ų | 33.4 | 7% | 0.068 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.9 | 176.5 | -64.1 | -173.1 | 176.5 | -163.5 | 0.6 | 109.5 | R39 T51 E54 R114 R115 R116 | R39-R77 HydrophobicContact CB-CG 4.41Å; R39-R77 WeakPolarHBondContact O-CA 3.19Å; T51-R77 VanDerWaalsContact CB-NH1 3.25Å; T51-R77 VanDerWaalsContact CG2-NH1 3.34Å; T51-R77 PolarHBondContact OG1-NH1 2.93Å; E54-R77 IonicContact OE1-NH2 2.89Å; E54-R77 PolarHBondContact OE1-NH2 2.91Å; R77-R114 PolarHBondContact N-O 2.98Å; R77-R115 WeakPolarHBondContact O-CA 3.48Å; R77-R116 PolarHBondContact O-N 3.18Å |
| 78 | R | 78.8 | Confident | 76.3 | Confident | 99 Ų | 99 | 35.9 Ų | 35.9 | 37% | 0.374 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 115.3 | 171 | -177.8 | 179.5 | -179.2 | -176.7 | -1.6 | 107.7 | R39 R40 T41 R116 | R39-R78 PolarHBondContact O-N 3.4Å; R40-R78 CarbonylContact C-O 3.59Å; R40-R78 WeakPolarHBondContact CA-O 3.46Å; T41-R78 PolarHBondContact N-O 3.31Å; R78-R116 CarbonylContact C-O 3.54Å; R78-R116 WeakPolarHBondContact CA-O 3.3Å |
| 79 | T | 78.1 | Confident | 75.8 | Confident | 8 Ų | 8 | 34.9 Ų | 34.9 | 5% | 0.049 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.4 | 177.2 | -48.5 | 0 | 0 | 0 | 0 | 107.5 | T41 L81 R116 T117 T118 | T41-T79 WeakPolarHBondContact O-CA 3.13Å; T79-L81 HydrophobicContact CG2-CD1 4.42Å; T79-L81 HydrophobicContact CG2-CD2 3.83Å; T79-L81 HydrophobicContact CG2-CG 3.89Å; T79-R116 PolarHBondContact N-O 3.37Å; T79-T117 WeakPolarHBondContact O-CA 3.31Å; T79-T118 PolarHBondContact O-N 3.11Å |
| 80 | T | 78.8 | Confident | 75.2 | Confident | 42 Ų | 42 | 36.7 Ų | 36.7 | 26% | 0.258 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 117.2 | 167.2 | -64.6 | 0 | 0 | 0 | 0 | 106.4 | T41 T42 L43 T118 | T41-T80 PolarHBondContact O-N 3.38Å; T42-T80 VanDerWaalsContact CA-O 3.31Å; T42-T80 WeakPolarHBondContact CA-O 3.32Å; L43-T80 PolarHBondContact N-O 3.4Å; L43-T80 VanDerWaalsContact N-O 3.13Å; T80-T118 VanDerWaalsContact CA-O 3.31Å; T80-T118 WeakPolarHBondContact CA-O 3.34Å |
| 81 | L | 73.1 | Confident | 74.5 | Confident | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | trans | -109.1 | 150.8 | 174.1 | -54.6 | -175.9 | 0 | 0 | 0 | 109.3 | L43 G47 T79 G85 E86 T118 L119 G120 | L43-L81 HydrophobicContact CB-CD2 3.68Å; L43-L81 HydrophobicContact CD1-CD2 3.65Å; L43-L81 HydrophobicContact CG-CD2 3.71Å; G47-L81 WeakPolarHBondContact O-CD1 3.49Å; T79-L81 HydrophobicContact CG2-CD1 4.42Å; T79-L81 HydrophobicContact CG2-CD2 3.83Å; T79-L81 HydrophobicContact CG2-CG 3.89Å; L81-G85 VanDerWaalsContact CD1-C 3.47Å; L81-E86 WeakPolarHBondContact CD1-O 3.42Å; L81-T118 PolarHBondContact N-O 2.86Å; L81-L119 HydrophobicContact CB-CD2 3.72Å; L81-L119 HydrophobicContact CD1-CD2 3.57Å; L81-L119 HydrophobicContact CG-CD2 3.62Å; L81-G120 PolarHBondContact O-N 2.79Å | ||
| 82 | G | 73.2 | Confident | 74.2 | Confident | 16 Ų | 16 | 36.8 Ų | 36.8 | 17% | 0.165 | 19% | 0.192 | C | C | . | . | trans | -70.4 | -162.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | L43 G44 L84 G120 | L43-G82 PolarHBondContact O-N 3.35Å; G44-G82 VanDerWaalsContact O-CA 3.3Å; G44-G82 WeakPolarHBondContact O-CA 3.42Å; G44-G82 PolarHBondContact O-N 3.12Å; G82-L84 PolarHBondContact O-N 2.89Å; G82-G120 WeakPolarHBondContact O-CA 3.28Å; G82-G120 PolarHBondContact O-N 2.82Å | ||
| 83 | P | 70.4 | Confident | 73.9 | Confident | 64 Ų | 64 | 38.2 Ų | 38.2 | 42% | 0.416 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -56 | -43.1 | -172.9 | 12.5 | -32.1 | 0 | 0 | 0 | 117.4 | P45 P121 L122 | P45-P83 HydrophobicContact CB-CG 3.74Å; P83-P121 HydrophobicContact CB-CG 4.46Å; P83-P121 WeakPolarHBondContact O-CD 3.31Å; P83-L122 CarbonylContact O-C 3.49Å; P83-L122 PolarHBondContact O-N 2.94Å |
| 84 | L | 70.2 | Confident | 73.7 | Confident | 84 Ų | 84 | 38.1 Ų | 38.1 | 44% | 0.44 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 104.5 | 171.9 | -51 | -170.4 | 0 | 0 | 0 | 107.2 | P45 L46 G47 G82 L122 | P45-L84 PolarHBondContact O-N 2.6Å; L46-L84 WeakPolarHBondContact CA-O 3.39Å; L46-L84 HydrophobicContact CD2-CB 3.76Å; L46-L84 HydrophobicContact CD2-CD1 3.52Å; L46-L84 HydrophobicContact CD2-CG 3.85Å; G47-L84 PolarHBondContact N-O 2.86Å; G82-L84 PolarHBondContact O-N 2.89Å; L84-L122 VanDerWaalsContact CA-O 3.32Å; L84-L122 WeakPolarHBondContact CA-O 3.43Å; L84-L122 HydrophobicContact CD2-CB 3.44Å; L84-L122 VanDerWaalsContact CD2-CB 3.44Å; L84-L122 HydrophobicContact CD2-CD1 3.32Å; L84-L122 HydrophobicContact CD2-CG 3.99Å |
| 85 | G | 69.4 | Low | 73.8 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 116.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G47 L81 L122 G123 E124 | G47-G85 VanDerWaalsContact O-CA 3.3Å; G47-G85 WeakPolarHBondContact O-CA 3.43Å; L81-G85 VanDerWaalsContact CD1-C 3.47Å; G85-L122 PolarHBondContact N-O 2.94Å; G85-L122 VanDerWaalsContact N-O 3.15Å; G85-G123 WeakPolarHBondContact O-CA 3.35Å; G85-E124 PolarHBondContact O-N 2.88Å |
| 86 | E | 74.2 | Confident | 73.9 | Confident | 87 Ų | 87 | 37.3 Ų | 37.3 | 41% | 0.407 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 131.2 | 173.7 | -60.7 | -176.5 | -165.4 | 0 | 0 | 110.3 | G47 E48 S49 L81 E124 | G47-E86 PolarHBondContact O-N 2.61Å; E48-E86 WeakPolarHBondContact CA-O 3.36Å; E48-E86 HydrophobicContact CG-CB 4.35Å; S49-E86 PolarHBondContact N-O 2.9Å; L81-E86 WeakPolarHBondContact CD1-O 3.42Å; E86-E124 WeakPolarHBondContact CA-O 3.41Å; E86-E124 HydrophobicContact CG-CB 4.33Å |
| 87 | S | 74.8 | Confident | 74.3 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 104.1 | 173.3 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | S49 R115 E124 S125 T126 | S49-S87 WeakPolarHBondContact O-CA 3.45Å; S87-R115 PolarHBondContact OG-NH2 2.99Å; S87-E124 PolarHBondContact N-O 2.86Å; S87-S125 WeakPolarHBondContact O-CA 3.39Å; S87-S125 PolarHBondContact O-OG 2.83Å; S87-S125 VanDerWaalsContact O-OG 3.12Å; S87-T126 PolarHBondContact O-N 2.88Å; S87-T126 VanDerWaalsContact O-N 3.16Å |
| 88 | T | 72.7 | Confident | 74.4 | Confident | 52 Ų | 52 | 35 Ų | 35 | 32% | 0.319 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.9 | 171.3 | -58.6 | 0 | 0 | 0 | 0 | 109.6 | S49 T50 T51 T126 | S49-T88 PolarHBondContact O-N 2.97Å; S49-T88 VanDerWaalsContact O-N 3.08Å; S49-T88 VanDerWaalsContact O-O 3.1Å; T50-T88 WeakPolarHBondContact CA-O 3.37Å; T51-T88 PolarHBondContact N-O 3.2Å; T88-T126 WeakPolarHBondContact CA-O 3.42Å |
| 89 | T | 67.9 | Low | 74.7 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | trans | -114.7 | 138.3 | 162.6 | 56.8 | 0 | 0 | 0 | 0 | 106.8 | T51 T126 T127 P128 | T51-T89 HydrophobicContact CG2-CG2 4.33Å; T51-T89 WeakPolarHBondContact OG1-CA 3.48Å; T51-T89 WeakPolarHBondContact OG1-CB 3.37Å; T51-T89 WeakPolarHBondContact OG1-CG2 3.46Å; T89-T126 PolarHBondContact N-O 2.85Å; T89-T126 VanDerWaalsContact N-O 3.09Å; T89-T127 CarbonylContact O-C 3.6Å; T89-T127 WeakPolarHBondContact OG1-CA 3.35Å; T89-T127 WeakPolarHBondContact OG1-CB 3.34Å; T89-T127 WeakPolarHBondContact OG1-CG2 3.35Å; T89-P128 WeakPolarHBondContact O-CB 3.46Å; T89-P128 WeakPolarHBondContact O-CD 3.34Å; T89-P128 WeakPolarHBondContact O-CG 3.49Å; T89-P128 WeakPolarHBondContact OG1-CD 3.45Å | ||
| 90 | P | 65.6 | Low | 74.9 | Confident | 38 Ų | 38 | 31.9 Ų | 31.9 | 25% | 0.247 | 19% | 0.187 | C | C | . | . | trans | -97.8 | 167.2 | 177 | 39.9 | -39.6 | 0 | 0 | 0 | 112.4 | T51 P52 P128 | T51-P90 WeakPolarHBondContact O-CD 3.08Å; T51-P90 WeakPolarHBondContact O-CG 3.3Å; T51-P90 WeakPolarHBondContact OG1-CD 3.36Å; P52-P90 WeakPolarHBondContact O-CG 3.43Å; P90-P128 VanDerWaalsContact CA-CG 3.41Å; P90-P128 WeakPolarHBondContact O-CG 3.44Å | ||
| 91 | G | 67.1 | Low | 75.1 | Confident | 33 Ų | 33 | 34.5 Ų | 34.5 | 34% | 0.34 | 20% | 0.195 | S | C | . | . | trans | -49.9 | 151.7 | -165.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G53 E54 G129 | G53-G91 VanDerWaalsContact CA-O 3.29Å; G53-G91 WeakPolarHBondContact CA-O 3.46Å; E54-G91 PolarHBondContact N-O 3.3Å; G91-G129 WeakPolarHBondContact CA-O 3.47Å | ||
| 92 | E | 74.5 | Confident | 75.4 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 120.8 | 169.3 | -56.3 | 177.8 | -162.7 | 0 | 0 | 106.6 | E54 R73 R75 R111 R113 G129 E130 E131 | E54-E92 WeakPolarHBondContact O-CA 3.44Å; R73-E92 IonicContact CZ-OE2 3.32Å; R73-E92 IonicContact NH1-OE2 3.95Å; R73-E92 PolarHBondContact NH1-OE2 2.98Å; R73-E92 IonicContact NH2-OE2 2.58Å; R73-E92 PolarHBondContact NH2-OE2 2.86Å; R75-E92 IonicContact CZ-OE2 3.06Å; R75-E92 IonicContact NH1-OE1 2.82Å; R75-E92 PolarHBondContact NH1-OE1 3.32Å; R75-E92 IonicContact NH1-OE2 3.93Å; R75-E92 PolarHBondContact NH1-OE2 2.89Å; E92-R111 IonicContact OE2-CZ 3.99Å; E92-R111 IonicContact OE2-NH2 2.76Å; E92-R111 PolarHBondContact OE2-NH2 2.98Å; E92-R113 IonicContact OE1-CZ 3.7Å; E92-R113 IonicContact OE1-NE 3.3Å; E92-R113 PolarHBondContact OE1-NE 3.14Å; E92-R113 IonicContact OE1-NH2 3.65Å; E92-R113 PolarHBondContact OE1-NH2 2.89Å; E92-G129 PolarHBondContact N-O 2.78Å; E92-E130 HydrophobicContact CB-CG 4.27Å; E92-E130 VanDerWaalsContact O-CA 3.3Å; E92-E130 WeakPolarHBondContact O-CA 3.34Å; E92-E131 PolarHBondContact O-N 2.85Å |
| 93 | E | 74 | Confident | 75.9 | Confident | 95 Ų | 95 | 38.7 Ų | 38.7 | 44% | 0.444 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.8 | 176.2 | -61.9 | -178.7 | -166.2 | 0 | 0 | 108.5 | E54 E55 E56 E131 | E54-E93 PolarHBondContact O-N 3Å; E55-E93 WeakPolarHBondContact CA-O 3.4Å; E55-E93 HydrophobicContact CG-CB 4.32Å; E56-E93 PolarHBondContact N-O 2.85Å; E93-E131 WeakPolarHBondContact CA-O 3.43Å; E93-E131 HydrophobicContact CG-CB 4.3Å |
| 94 | E | 77.3 | Confident | 76.6 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 2% | 0.023 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 126.9 | -179 | -56.3 | -167.6 | 132.2 | 0 | 0 | 109.4 | E56 R73 R111 E131 E132 L133 | E56-E94 HydrophobicContact CB-CG 4.42Å; E56-E94 WeakPolarHBondContact O-CA 3.35Å; R73-E94 WeakPolarHBondContact CD-OE1 3.39Å; R73-E94 IonicContact CZ-OE1 2.64Å; R73-E94 IonicContact CZ-OE2 3.3Å; R73-E94 IonicContact NE-OE1 3.99Å; R73-E94 PolarHBondContact NE-OE1 2.83Å; R73-E94 IonicContact NE-OE2 2.74Å; R73-E94 IonicContact NH1-OE1 2.69Å; R73-E94 PolarHBondContact NH1-OE1 2.88Å; R73-E94 IonicContact NH1-OE2 3.85Å; R73-E94 PolarHBondContact NH1-OE2 2.78Å; E94-R111 WeakPolarHBondContact OE2-CD 3.35Å; E94-R111 IonicContact OE2-CZ 3.12Å; E94-R111 IonicContact OE2-NE 3.16Å; E94-R111 PolarHBondContact OE2-NE 2.79Å; E94-E131 PolarHBondContact N-O 2.88Å; E94-E132 HydrophobicContact CB-CG 4.42Å; E94-L133 PolarHBondContact O-N 2.91Å |
| 95 | L | 78.7 | Confident | 77.2 | Confident | 55 Ų | 55 | 34.2 Ų | 34.2 | 29% | 0.288 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 120.6 | -178.3 | 174.6 | 56.4 | 0 | 0 | 0 | 110.6 | E56 L57 V58 L133 | E56-L95 PolarHBondContact O-N 2.82Å; L57-L95 CarbonylContact C-O 3.57Å; L57-L95 WeakPolarHBondContact CA-O 3.41Å; L57-L95 HydrophobicContact CD1-CB 3.47Å; L57-L95 VanDerWaalsContact CD1-CB 3.47Å; L57-L95 HydrophobicContact CD1-CD2 3.37Å; L57-L95 HydrophobicContact CD1-CG 3.31Å; V58-L95 PolarHBondContact N-O 2.97Å; L95-L133 CarbonylContact C-O 3.01Å; L95-L133 WeakPolarHBondContact CA-O 3.35Å; L95-L133 HydrophobicContact CD1-CB 3.75Å; L95-L133 HydrophobicContact CD1-CD2 3.51Å; L95-L133 HydrophobicContact CD1-CG 3.4Å; L95-L133 VanDerWaalsContact CD1-CG 3.4Å; L95-L133 WeakPolarHBondContact CD1-O 3.38Å |
| 96 | V | 80.1 | Confident | 77.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 107.1 | 167.5 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | V58 E71 V98 E109 L133 V134 N135 | V58-V96 HydrophobicContact CB-CG2 4.45Å; V58-V96 WeakPolarHBondContact O-CA 3.22Å; E71-V96 HydrophobicContact CB-CG2 3.8Å; V96-V98 HydrophobicContact CG1-CG2 3.91Å; V96-E109 HydrophobicContact CG2-CB 4.35Å; V96-E109 HydrophobicContact CG2-CG 4.14Å; V96-L133 PolarHBondContact N-O 2.94Å; V96-V134 HydrophobicContact CB-CG2 4.42Å; V96-V134 WeakPolarHBondContact O-CA 3.4Å; V96-N135 PolarHBondContact O-N 2.96Å |
| 97 | N | 83.4 | Confident | 78.3 | Confident | 41 Ų | 41 | 31 Ų | 31 | 22% | 0.219 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 119.2 | 175.3 | -168.5 | 25.1 | 0 | 0 | 0 | 109.9 | V58 N59 V60 N135 | V58-N97 PolarHBondContact O-N 2.85Å; N59-N97 VanDerWaalsContact CA-O 3.3Å; N59-N97 WeakPolarHBondContact CA-O 3.14Å; N59-N97 VanDerWaalsContact OD1-CB 3.26Å; N59-N97 WeakPolarHBondContact OD1-CB 3.07Å; V60-N97 PolarHBondContact N-O 2.86Å; N97-N135 CarbonylContact C-O 3.57Å; N97-N135 VanDerWaalsContact CA-O 3.29Å; N97-N135 WeakPolarHBondContact CA-O 2.99Å; N97-N135 PolarHBondContact OD1-ND2 3.17Å; N97-N135 PolarHBondContact OD1-O 2.84Å |
| 98 | V | 80.3 | Confident | 78.8 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 118 | 178.4 | -165.4 | 0 | 0 | 0 | 0 | 108.1 | V60 V67 V96 V105 N135 V136 T137 | V60-V98 HydrophobicContact CB-CG1 4.24Å; V60-V98 WeakPolarHBondContact O-CA 3.34Å; V67-V98 HydrophobicContact CB-CG1 3.92Å; V67-V98 HydrophobicContact CG1-CG1 3.34Å; V96-V98 HydrophobicContact CG1-CG2 3.91Å; V98-V105 HydrophobicContact CB-CG1 3.76Å; V98-V105 HydrophobicContact CG1-CG1 3.25Å; V98-N135 PolarHBondContact N-O 2.81Å; V98-V136 HydrophobicContact CB-CG1 4.21Å; V98-V136 CarbonylContact O-C 3.59Å; V98-V136 WeakPolarHBondContact O-CA 2.85Å; V98-T137 PolarHBondContact O-N 2.73Å |
| 99 | T | 84.2 | Confident | 79.5 | Confident | 41 Ų | 41 | 30 Ų | 30 | 25% | 0.252 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 131.5 | -178.6 | -57.1 | 0 | 0 | 0 | 0 | 110.5 | V60 T61 D62 T137 | V60-T99 PolarHBondContact O-N 2.57Å; T61-T99 VanDerWaalsContact CA-O 3.28Å; T61-T99 WeakPolarHBondContact CA-O 3.41Å; D62-T99 PolarHBondContact N-O 3.03Å; T99-T137 VanDerWaalsContact CA-O 3.28Å; T99-T137 WeakPolarHBondContact CA-O 3.38Å |
| 100 | D | 83.6 | Confident | 80.4 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.011 | 18% | 0.179 | C | C | . | . | trans | -127.8 | 165.5 | 165.1 | -163.4 | 1.8 | 0 | 0 | 0 | 109.3 | Q64 G65 V67 Q102 V105 T137 D138 | Q64-D100 PolarHBondContact N-OD1 2.97Å; G65-D100 PolarHBondContact N-OD2 3.2Å; V67-D100 HydrophobicContact CG2-CB 3.81Å; D100-Q102 PolarHBondContact OD1-N 2.85Å; D100-V105 HydrophobicContact CB-CG2 3.28Å; D100-T137 PolarHBondContact N-O 2.63Å; D100-D138 WeakPolarHBondContact O-CA 3.38Å | ||
| 101 | K | 81.9 | Confident | 81.3 | Confident | 97 Ų | 97 | 31.2 Ų | 31.2 | 42% | 0.422 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -99.5 | -26.6 | 168.5 | -54 | 178.1 | 178.8 | -178.8 | 0 | 112 | K63 K139 | K63-K101 HydrophobicContact CB-CD 4.31Å; K63-K101 HydrophobicContact CG-CD 4.4Å; K63-K101 WeakPolarHBondContact O-CB 3.31Å; K101-K139 HydrophobicContact CB-CD 4.18Å; K101-K139 HydrophobicContact CG-CD 4.42Å; K101-K139 WeakPolarHBondContact O-CB 3.43Å |
| 102 | Q | 79.9 | Confident | 82 | Confident | 91 Ų | 91 | 32.8 Ų | 32.8 | 43% | 0.425 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -162.7 | 108.6 | -177.9 | -162.7 | 170.3 | 25.7 | 0 | 0 | 111 | Q64 G65 D100 D138 Q140 | Q64-Q102 WeakPolarHBondContact CA-O 3.43Å; G65-Q102 PolarHBondContact N-O 2.92Å; D100-Q102 PolarHBondContact OD1-N 2.85Å; Q102-D138 PolarHBondContact N-OD1 3.39Å; Q102-Q140 WeakPolarHBondContact CA-O 3.47Å; Q102-Q140 HydrophobicContact CG-CB 4.3Å |
| 103 | G | 84.4 | Confident | 82.5 | Confident | 19 Ų | 19 | 33.4 Ų | 33.4 | 20% | 0.196 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.4 | -139.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | G65 D138 Q140 G141 V142 | G65-G103 CarbonylContact O-C 3.6Å; G65-G103 WeakPolarHBondContact O-CA 3.34Å; G103-D138 PolarHBondContact N-OD2 2.6Å; G103-Q140 PolarHBondContact N-O 2.89Å; G103-Q140 VanDerWaalsContact N-O 3.14Å; G103-G141 CarbonylContact O-C 3.59Å; G103-G141 VanDerWaalsContact O-CA 3.22Å; G103-G141 WeakPolarHBondContact O-CA 3.38Å; G103-V142 PolarHBondContact O-N 2.76Å |
| 104 | V | 84.6 | Confident | 82.8 | Confident | 53 Ų | 53 | 32.3 Ų | 32.3 | 32% | 0.321 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 115.9 | 175.5 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | G65 V66 V67 V106 V142 | G65-V104 PolarHBondContact O-N 2.71Å; V66-V104 CarbonylContact C-O 3.58Å; V66-V104 WeakPolarHBondContact CA-O 3.38Å; V66-V104 HydrophobicContact CG1-CB 4.36Å; V66-V104 HydrophobicContact CG2-CB 4.31Å; V67-V104 PolarHBondContact N-O 3.3Å; V104-V106 HydrophobicContact CG1-CG2 4.12Å; V104-V142 CarbonylContact C-O 3.59Å; V104-V142 WeakPolarHBondContact CA-O 3.28Å; V104-V142 HydrophobicContact CG1-CB 4.35Å; V104-V142 HydrophobicContact CG2-CB 4.32Å |
| 105 | V | 83.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.1 | -176.1 | -163.8 | 0 | 0 | 0 | 0 | 109.6 | V67 V98 D100 V136 D138 V142 V143 V144 | V67-V105 HydrophobicContact CB-CG1 4.34Å; V67-V105 CarbonylContact O-C 3.6Å; V67-V105 WeakPolarHBondContact O-CA 3.26Å; V98-V105 HydrophobicContact CB-CG1 3.76Å; V98-V105 HydrophobicContact CG1-CG1 3.25Å; D100-V105 HydrophobicContact CB-CG2 3.28Å; V105-V136 HydrophobicContact CB-CG1 3.85Å; V105-V136 HydrophobicContact CG1-CG1 3.31Å; V105-D138 HydrophobicContact CG2-CB 3.75Å; V105-V142 PolarHBondContact N-O 3.2Å; V105-V143 HydrophobicContact CB-CG1 4.29Å; V105-V143 CarbonylContact O-C 3.53Å; V105-V143 WeakPolarHBondContact O-CA 3.33Å; V105-V144 PolarHBondContact O-N 3.31Å |
| 106 | V | 83 | Confident | 83.3 | Confident | 23 Ų | 23 | 34.6 Ų | 34.6 | 14% | 0.139 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 105.5 | -179.4 | -175.5 | 0 | 0 | 0 | 0 | 109.8 | V67 V68 G69 V104 Q108 V144 | V67-V106 PolarHBondContact O-N 3.11Å; V68-V106 CarbonylContact C-O 3.56Å; V68-V106 WeakPolarHBondContact CA-O 3.1Å; V68-V106 HydrophobicContact CG1-CB 4.42Å; V68-V106 HydrophobicContact CG2-CB 4.32Å; G69-V106 PolarHBondContact N-O 3.46Å; V104-V106 HydrophobicContact CG1-CG2 4.12Å; V106-Q108 HydrophobicContact CG1-CG 3.88Å; V106-V144 CarbonylContact C-O 3.44Å; V106-V144 WeakPolarHBondContact CA-O 3.45Å; V106-V144 HydrophobicContact CG1-CB 4.44Å; V106-V144 HydrophobicContact CG2-CB 4.32Å |
| 107 | G | 83.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 125.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | G69 V144 G145 Q146 | G69-G107 CarbonylContact O-C 2.98Å; G69-G107 WeakPolarHBondContact O-CA 3.49Å; G107-V144 PolarHBondContact N-O 2.87Å; G107-G145 CarbonylContact O-C 3.56Å; G107-G145 WeakPolarHBondContact O-CA 3.35Å; G107-Q146 PolarHBondContact O-N 2.76Å |
| 108 | Q | 86.2 | Confident | 83.3 | Confident | 33 Ų | 33 | 34.5 Ų | 34.5 | 15% | 0.154 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 125.9 | 173.9 | -58.4 | -171.7 | 7.2 | 0 | 0 | 113.4 | G69 Q70 E71 V106 Q146 | G69-Q108 PolarHBondContact O-N 3.12Å; Q70-Q108 CarbonylContact C-O 3.56Å; Q70-Q108 VanDerWaalsContact CA-O 3.24Å; Q70-Q108 WeakPolarHBondContact CA-O 3.43Å; Q70-Q108 HydrophobicContact CG-CB 4.21Å; E71-Q108 PolarHBondContact N-O 2.84Å; V106-Q108 HydrophobicContact CG1-CG 3.88Å; Q108-Q146 CarbonylContact C-O 3.55Å; Q108-Q146 VanDerWaalsContact CA-O 3.24Å; Q108-Q146 WeakPolarHBondContact CA-O 3.29Å; Q108-Q146 HydrophobicContact CG-CB 4.2Å |
| 109 | E | 86 | Confident | 83.2 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136.1 | 170.8 | -152.6 | -141.7 | 116.7 | 0 | 0 | 110.8 | E71 V96 V134 Q146 E147 K148 | E71-E109 HydrophobicContact CB-CG 4.05Å; V96-E109 HydrophobicContact CG2-CB 4.35Å; V96-E109 HydrophobicContact CG2-CG 4.14Å; E109-V134 HydrophobicContact CB-CG2 3.69Å; E109-Q146 PolarHBondContact N-O 2.91Å; E109-E147 HydrophobicContact CB-CG 4.01Å; E109-K148 PolarHBondContact O-N 2.93Å |
| 110 | K | 86.4 | Confident | 82.8 | Confident | 60 Ų | 60 | 33.7 Ų | 33.7 | 26% | 0.261 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 103.7 | 178.9 | -61.1 | -164.4 | 176.1 | 83.6 | 0 | 111.4 | E71 K72 R73 K148 | E71-K110 PolarHBondContact O-N 3.01Å; K72-K110 WeakPolarHBondContact CA-O 3.44Å; K72-K110 HydrophobicContact CG-CB 4.22Å; R73-K110 PolarHBondContact N-O 2.9Å; K110-K148 WeakPolarHBondContact CA-O 3.3Å; K110-K148 HydrophobicContact CG-CB 4.23Å |
| 111 | R | 84.8 | Confident | 82.3 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 2% | 0.019 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 138.5 | -177.1 | -162.1 | 168.4 | -177.4 | -110.6 | -8.3 | 115.6 | R73 E92 E94 E130 E132 K148 R149 R150 | R73-R111 HydrophobicContact CB-CG 4.39Å; E92-R111 IonicContact OE2-CZ 3.99Å; E92-R111 IonicContact OE2-NH2 2.76Å; E92-R111 PolarHBondContact OE2-NH2 2.98Å; E94-R111 WeakPolarHBondContact OE2-CD 3.35Å; E94-R111 IonicContact OE2-CZ 3.12Å; E94-R111 IonicContact OE2-NE 3.16Å; E94-R111 PolarHBondContact OE2-NE 2.79Å; R111-E130 IonicContact CZ-OE2 3.48Å; R111-E130 IonicContact NH1-OE2 3.29Å; R111-E130 PolarHBondContact NH1-OE2 3.06Å; R111-E130 IonicContact NH2-OE2 2.73Å; R111-E130 PolarHBondContact NH2-OE2 3.1Å; R111-E132 WeakPolarHBondContact CD-OE1 2.92Å; R111-E132 VanDerWaalsContact CD-OE2 3.24Å; R111-E132 WeakPolarHBondContact CD-OE2 3.45Å; R111-E132 IonicContact CZ-OE1 3.89Å; R111-E132 IonicContact NE-OE1 3.61Å; R111-E132 IonicContact NH1-OE1 2.74Å; R111-E132 PolarHBondContact NH1-OE1 2.83Å; R111-E132 IonicContact NH1-OE2 2.68Å; R111-K148 PolarHBondContact N-O 3.38Å; R111-R149 HydrophobicContact CB-CG 4.46Å; R111-R149 CarbonylContact O-C 3.58Å; R111-R149 WeakPolarHBondContact O-CA 3.37Å; R111-R150 PolarHBondContact O-N 3.34Å |
| 112 | R | 83.3 | Confident | 82 | Confident | 66 Ų | 66 | 36.1 Ų | 36.1 | 25% | 0.249 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 100.2 | 175.6 | -175.9 | 177.2 | 160.3 | -179 | -7.2 | 113.2 | R73 R74 R75 R114 R150 | R73-R112 PolarHBondContact O-N 3.27Å; R74-R112 WeakPolarHBondContact CA-O 3.4Å; R74-R112 HydrophobicContact CG-CB 4.49Å; R75-R112 PolarHBondContact N-O 2.9Å; R75-R112 VanDerWaalsContact N-O 3.14Å; R112-R114 VanDerWaalsContact NH2-CZ 3.26Å; R112-R150 WeakPolarHBondContact CA-O 3.44Å |
| 113 | R | 83.5 | Confident | 81.6 | Confident | 16 Ų | 16 | 31.9 Ų | 31.9 | 6% | 0.06 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 137.7 | 174.5 | -149.2 | 175.1 | -169.1 | -144.8 | 6.4 | 112.7 | R75 E92 E130 R150 R151 R152 | R75-R113 WeakPolarHBondContact O-CA 3.4Å; E92-R113 IonicContact OE1-CZ 3.7Å; E92-R113 IonicContact OE1-NE 3.3Å; E92-R113 PolarHBondContact OE1-NE 3.14Å; E92-R113 IonicContact OE1-NH2 3.65Å; E92-R113 PolarHBondContact OE1-NH2 2.89Å; R113-E130 IonicContact CZ-OE1 3.36Å; R113-E130 VanDerWaalsContact CZ-OE1 3.32Å; R113-E130 IonicContact CZ-OE2 2.72Å; R113-E130 IonicContact NE-OE1 3Å; R113-E130 IonicContact NH1-OE1 3.5Å; R113-E130 PolarHBondContact NH1-OE1 3.01Å; R113-E130 IonicContact NH1-OE2 3.8Å; R113-R150 PolarHBondContact N-O 3.49Å; R113-R150 VanDerWaalsContact N-O 3.14Å; R113-R151 HydrophobicContact CB-CB 4.39Å; R113-R151 HydrophobicContact CB-CG 3.82Å; R113-R151 WeakPolarHBondContact O-CA 3.34Å; R113-R152 PolarHBondContact O-N 2.97Å |
| 114 | R | 81.1 | Confident | 81.3 | Confident | 72 Ų | 72 | 35 Ų | 35 | 27% | 0.272 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 114.1 | 165.3 | -62.7 | -174.4 | 173.4 | -168.8 | -4.1 | 109.5 | R75 R76 R77 R112 R152 | R75-R114 PolarHBondContact O-N 2.95Å; R76-R114 CarbonylContact C-O 3.56Å; R76-R114 WeakPolarHBondContact CA-O 3.34Å; R76-R114 HydrophobicContact CG-CB 4.28Å; R77-R114 PolarHBondContact N-O 2.98Å; R112-R114 VanDerWaalsContact NH2-CZ 3.26Å; R114-R152 CarbonylContact C-O 3.56Å; R114-R152 WeakPolarHBondContact CA-O 3.49Å; R114-R152 HydrophobicContact CG-CB 4.28Å |
| 115 | R | 82.2 | Confident | 81 | Confident | 11 Ų | 11 | 32.5 Ų | 32.5 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129.4 | 174.6 | -166.9 | 174.5 | -175.3 | -123.7 | -4.8 | 109.6 | R77 S87 T117 S125 T127 R152 R153 R154 | R77-R115 WeakPolarHBondContact O-CA 3.48Å; S87-R115 PolarHBondContact OG-NH2 2.99Å; R115-T117 VanDerWaalsContact CZ-OG1 3.31Å; R115-T117 PolarHBondContact NE-OG1 3.34Å; R115-S125 PolarHBondContact NH1-OG 3.2Å; R115-S125 VanDerWaalsContact NH1-OG 3.14Å; R115-S125 PolarHBondContact NH2-OG 2.85Å; R115-T127 VanDerWaalsContact CZ-CG2 3.46Å; R115-R152 PolarHBondContact N-O 2.9Å; R115-R153 CarbonylContact O-C 3.53Å; R115-R153 WeakPolarHBondContact O-CA 3.47Å; R115-R154 PolarHBondContact O-N 2.88Å |
| 116 | R | 83.2 | Confident | 80.6 | Confident | 96 Ų | 96 | 35.1 Ų | 35.1 | 36% | 0.362 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 115.9 | 166.5 | -177.9 | 178.4 | -179.7 | -179.3 | -1.5 | 107.5 | R77 R78 T79 R154 | R77-R116 PolarHBondContact O-N 3.18Å; R78-R116 CarbonylContact C-O 3.54Å; R78-R116 WeakPolarHBondContact CA-O 3.3Å; T79-R116 PolarHBondContact N-O 3.37Å; R116-R154 CarbonylContact C-O 3.58Å; R116-R154 VanDerWaalsContact CA-O 3.31Å; R116-R154 WeakPolarHBondContact CA-O 3.5Å; R116-R154 HydrophobicContact CG-CB 4.48Å |
| 117 | T | 81.5 | Confident | 80 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.7 | 175.7 | -51.2 | 0 | 0 | 0 | 0 | 107.8 | T79 R115 L119 R154 T155 T156 | T79-T117 WeakPolarHBondContact O-CA 3.31Å; R115-T117 VanDerWaalsContact CZ-OG1 3.31Å; R115-T117 PolarHBondContact NE-OG1 3.34Å; T117-L119 HydrophobicContact CG2-CD2 3.72Å; T117-L119 HydrophobicContact CG2-CG 3.93Å; T117-R154 PolarHBondContact N-O 3.47Å; T117-T155 WeakPolarHBondContact O-CA 3.49Å; T117-T156 PolarHBondContact O-N 2.87Å |
| 118 | T | 82.3 | Confident | 79.2 | Confident | 39 Ų | 39 | 35.4 Ų | 35.4 | 24% | 0.239 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 113.8 | 171.6 | -57.6 | 0 | 0 | 0 | 0 | 106.6 | T79 T80 L81 T156 | T79-T118 PolarHBondContact O-N 3.11Å; T80-T118 VanDerWaalsContact CA-O 3.31Å; T80-T118 WeakPolarHBondContact CA-O 3.34Å; L81-T118 PolarHBondContact N-O 2.86Å; T118-T156 VanDerWaalsContact CA-O 3.3Å; T118-T156 WeakPolarHBondContact CA-O 3.47Å |
| 119 | L | 77.4 | Confident | 78.3 | Confident | 8 Ų | 8 | 35.3 Ų | 35.3 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | trans | -107.6 | 152 | 178.1 | -53.9 | -171.4 | 0 | 0 | 0 | 109.3 | L81 T117 G123 E124 T156 L157 | L81-L119 HydrophobicContact CB-CD2 3.72Å; L81-L119 HydrophobicContact CD1-CD2 3.57Å; L81-L119 HydrophobicContact CG-CD2 3.62Å; T117-L119 HydrophobicContact CG2-CD2 3.72Å; T117-L119 HydrophobicContact CG2-CG 3.93Å; L119-G123 WeakPolarHBondContact CD1-O 3.42Å; L119-E124 VanDerWaalsContact CD1-C 3.4Å; L119-E124 VanDerWaalsContact CD1-O 3.25Å; L119-E124 WeakPolarHBondContact CD1-O 3.34Å; L119-T156 PolarHBondContact N-O 2.87Å; L119-L157 HydrophobicContact CB-CD2 3.78Å; L119-L157 HydrophobicContact CD1-CD2 3.55Å; L119-L157 HydrophobicContact CG-CD2 3.58Å | ||
| 120 | G | 76.4 | Confident | 77.9 | Confident | 17 Ų | 17 | 35.5 Ų | 35.5 | 18% | 0.175 | 18% | 0.184 | C | C | . | . | trans | -68.8 | -159.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | L81 G82 L122 G158 | L81-G120 PolarHBondContact O-N 2.79Å; G82-G120 WeakPolarHBondContact O-CA 3.28Å; G82-G120 PolarHBondContact O-N 2.82Å; G120-L122 PolarHBondContact O-N 2.83Å; G120-G158 VanDerWaalsContact O-CA 3.28Å; G120-G158 WeakPolarHBondContact O-CA 3.14Å; G120-G158 PolarHBondContact O-N 2.83Å; G120-G158 VanDerWaalsContact O-N 3.12Å | ||
| 121 | P | 73.9 | Confident | 77.4 | Confident | 63 Ų | 63 | 37 Ų | 37 | 41% | 0.409 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -63.4 | -38.7 | -171.6 | -24.2 | 36.6 | 0 | 0 | 0 | 115 | P83 L160 | P83-P121 HydrophobicContact CB-CG 4.46Å; P83-P121 WeakPolarHBondContact O-CD 3.31Å; P121-L160 CarbonylContact O-C 3.59Å; P121-L160 WeakPolarHBondContact O-CA 3.36Å; P121-L160 WeakPolarHBondContact O-CB 3.34Å; P121-L160 PolarHBondContact O-N 2.82Å |
| 122 | L | 74.3 | Confident | 77.3 | Confident | 86 Ų | 86 | 36.9 Ų | 36.9 | 45% | 0.45 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 91 | -178.2 | -74.6 | 160.1 | 0 | 0 | 0 | 106.7 | P83 L84 G85 G120 L160 | P83-L122 CarbonylContact O-C 3.49Å; P83-L122 PolarHBondContact O-N 2.94Å; L84-L122 VanDerWaalsContact CA-O 3.32Å; L84-L122 WeakPolarHBondContact CA-O 3.43Å; L84-L122 HydrophobicContact CD2-CB 3.44Å; L84-L122 VanDerWaalsContact CD2-CB 3.44Å; L84-L122 HydrophobicContact CD2-CD1 3.32Å; L84-L122 HydrophobicContact CD2-CG 3.99Å; G85-L122 PolarHBondContact N-O 2.94Å; G85-L122 VanDerWaalsContact N-O 3.15Å; G120-L122 PolarHBondContact O-N 2.83Å; L122-L160 HydrophobicContact CD2-CB 3.53Å; L122-L160 HydrophobicContact CD2-CD1 3.58Å; L122-L160 HydrophobicContact CD2-CG 4.18Å; L122-L160 HydrophobicContact CG-CB 4.27Å; L122-L160 HydrophobicContact CG-CD1 4.27Å |
| 123 | G | 72.7 | Confident | 77.2 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 125.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G85 L119 G161 E162 | G85-G123 WeakPolarHBondContact O-CA 3.35Å; L119-G123 WeakPolarHBondContact CD1-O 3.42Å; G123-G161 CarbonylContact O-C 3.56Å; G123-G161 WeakPolarHBondContact O-CA 3.38Å; G123-E162 PolarHBondContact O-N 2.84Å; G123-E162 VanDerWaalsContact O-N 3.14Å |
| 124 | E | 77.8 | Confident | 77.2 | Confident | 85 Ų | 85 | 35.8 Ų | 35.8 | 40% | 0.397 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 136.8 | 176 | -59.2 | -174.6 | -168.4 | 0 | 0 | 109.8 | G85 E86 S87 L119 E162 | G85-E124 PolarHBondContact O-N 2.88Å; E86-E124 WeakPolarHBondContact CA-O 3.41Å; E86-E124 HydrophobicContact CG-CB 4.33Å; S87-E124 PolarHBondContact N-O 2.86Å; L119-E124 VanDerWaalsContact CD1-C 3.4Å; L119-E124 VanDerWaalsContact CD1-O 3.25Å; L119-E124 WeakPolarHBondContact CD1-O 3.34Å; E124-E162 CarbonylContact C-O 3.57Å; E124-E162 WeakPolarHBondContact CA-O 3.47Å; E124-E162 HydrophobicContact CG-CB 4.37Å |
| 125 | S | 77.7 | Confident | 77.4 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 111.3 | 163.9 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | S87 R115 E162 S163 T164 | S87-S125 WeakPolarHBondContact O-CA 3.39Å; S87-S125 PolarHBondContact O-OG 2.83Å; S87-S125 VanDerWaalsContact O-OG 3.12Å; R115-S125 PolarHBondContact NH1-OG 3.2Å; R115-S125 VanDerWaalsContact NH1-OG 3.14Å; R115-S125 PolarHBondContact NH2-OG 2.85Å; S125-E162 PolarHBondContact N-O 2.9Å; S125-S163 WeakPolarHBondContact O-CA 3.34Å; S125-T164 PolarHBondContact O-N 2.92Å |
| 126 | T | 75.6 | Confident | 77.5 | Confident | 54 Ų | 54 | 33.4 Ų | 33.4 | 33% | 0.331 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.6 | 167.5 | -56.9 | 0 | 0 | 0 | 0 | 108.8 | S87 T88 T89 T164 | S87-T126 PolarHBondContact O-N 2.88Å; S87-T126 VanDerWaalsContact O-N 3.16Å; T88-T126 WeakPolarHBondContact CA-O 3.42Å; T89-T126 PolarHBondContact N-O 2.85Å; T89-T126 VanDerWaalsContact N-O 3.09Å; T126-T164 WeakPolarHBondContact CA-O 3.38Å |
| 127 | T | 69.5 | Low | 77.7 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 5% | 0.049 | 18% | 0.179 | C | C | . | . | trans | -100.7 | 172.1 | 155.9 | 64 | 0 | 0 | 0 | 0 | 108.3 | T89 R115 T164 T165 P166 | T89-T127 CarbonylContact O-C 3.6Å; T89-T127 WeakPolarHBondContact OG1-CA 3.35Å; T89-T127 WeakPolarHBondContact OG1-CB 3.34Å; T89-T127 WeakPolarHBondContact OG1-CG2 3.35Å; R115-T127 VanDerWaalsContact CZ-CG2 3.46Å; T127-T164 PolarHBondContact N-O 2.89Å; T127-T165 HydrophobicContact CG2-CG2 4.49Å; T127-T165 WeakPolarHBondContact OG1-CA 3.46Å; T127-T165 WeakPolarHBondContact OG1-CB 3.48Å; T127-T165 VanDerWaalsContact OG1-CG2 3.23Å; T127-T165 WeakPolarHBondContact OG1-CG2 3.23Å; T127-P166 WeakPolarHBondContact O-CD 3.09Å; T127-P166 WeakPolarHBondContact O-CG 3.15Å; T127-P166 WeakPolarHBondContact OG1-CD 3.22Å | ||
| 128 | P | 66.5 | Low | 77.9 | Confident | 21 Ų | 21 | 30.8 Ų | 30.8 | 14% | 0.136 | 18% | 0.18 | C | C | . | . | trans | -109.3 | 175.9 | 179.8 | 41.9 | -27.8 | 0 | 0 | 0 | 109.4 | T89 P90 P166 | T89-P128 WeakPolarHBondContact O-CB 3.46Å; T89-P128 WeakPolarHBondContact O-CD 3.34Å; T89-P128 WeakPolarHBondContact O-CG 3.49Å; T89-P128 WeakPolarHBondContact OG1-CD 3.45Å; P90-P128 VanDerWaalsContact CA-CG 3.41Å; P90-P128 WeakPolarHBondContact O-CG 3.44Å; P128-P166 WeakPolarHBondContact O-CD 3.47Å | ||
| 129 | G | 68.4 | Low | 78 | Confident | 31 Ų | 31 | 33.3 Ų | 33.3 | 32% | 0.32 | 19% | 0.187 | S | C | . | . | trans | -56.9 | 155.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G91 E92 G167 | G91-G129 WeakPolarHBondContact CA-O 3.47Å; E92-G129 PolarHBondContact N-O 2.78Å; G129-G167 VanDerWaalsContact CA-O 3.3Å; G129-G167 WeakPolarHBondContact CA-O 3.44Å | ||
| 130 | E | 76.6 | Confident | 78.2 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.019 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 125.5 | 166.1 | -64.5 | 177.9 | -123.2 | 0 | 0 | 107.2 | E92 R111 R113 R151 G167 E168 E169 | E92-E130 HydrophobicContact CB-CG 4.27Å; E92-E130 VanDerWaalsContact O-CA 3.3Å; E92-E130 WeakPolarHBondContact O-CA 3.34Å; R111-E130 IonicContact CZ-OE2 3.48Å; R111-E130 IonicContact NH1-OE2 3.29Å; R111-E130 PolarHBondContact NH1-OE2 3.06Å; R111-E130 IonicContact NH2-OE2 2.73Å; R111-E130 PolarHBondContact NH2-OE2 3.1Å; R113-E130 IonicContact CZ-OE1 3.36Å; R113-E130 VanDerWaalsContact CZ-OE1 3.32Å; R113-E130 IonicContact CZ-OE2 2.72Å; R113-E130 IonicContact NE-OE1 3Å; R113-E130 IonicContact NH1-OE1 3.5Å; R113-E130 PolarHBondContact NH1-OE1 3.01Å; R113-E130 IonicContact NH1-OE2 3.8Å; E130-R151 VanDerWaalsContact CB-NH2 3.32Å; E130-R151 IonicContact OE1-CZ 3.19Å; E130-R151 VanDerWaalsContact OE1-CZ 3.3Å; E130-R151 IonicContact OE1-NE 3.38Å; E130-R151 IonicContact OE1-NH1 2.76Å; E130-R151 PolarHBondContact OE1-NH1 2.84Å; E130-R151 IonicContact OE1-NH2 3.07Å; E130-R151 IonicContact OE2-CZ 3.2Å; E130-R151 IonicContact OE2-NE 2.58Å; E130-R151 PolarHBondContact OE2-NE 3Å; E130-R151 VanDerWaalsContact OE2-NE 3.16Å; E130-R151 IonicContact OE2-NH1 2.78Å; E130-R151 PolarHBondContact OE2-NH1 2.88Å; E130-R151 IonicContact OE2-NH2 2.6Å; E130-R151 PolarHBondContact OE2-NH2 3.39Å; E130-G167 PolarHBondContact N-O 2.86Å; E130-E168 WeakPolarHBondContact O-CA 2.88Å; E130-E169 PolarHBondContact O-N 2.95Å |
| 131 | E | 77.6 | Confident | 78.7 | Confident | 91 Ų | 91 | 37 Ų | 37 | 43% | 0.425 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 126 | -179.9 | -59.7 | -177.6 | -166.5 | 0 | 0 | 108.4 | E92 E93 E94 E169 | E92-E131 PolarHBondContact O-N 2.85Å; E93-E131 WeakPolarHBondContact CA-O 3.43Å; E93-E131 HydrophobicContact CG-CB 4.3Å; E94-E131 PolarHBondContact N-O 2.88Å; E131-E169 WeakPolarHBondContact CA-O 3.39Å; E131-E169 HydrophobicContact CG-CB 4.34Å |
| 132 | E | 80.9 | Confident | 79.3 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.019 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 119 | 179.6 | -76.5 | 165.2 | -126.6 | 0 | 0 | 107.6 | E94 R111 R149 R151 E169 E170 L171 | E94-E132 HydrophobicContact CB-CG 4.42Å; R111-E132 WeakPolarHBondContact CD-OE1 2.92Å; R111-E132 VanDerWaalsContact CD-OE2 3.24Å; R111-E132 WeakPolarHBondContact CD-OE2 3.45Å; R111-E132 IonicContact CZ-OE1 3.89Å; R111-E132 IonicContact NE-OE1 3.61Å; R111-E132 IonicContact NH1-OE1 2.74Å; R111-E132 PolarHBondContact NH1-OE1 2.83Å; R111-E132 IonicContact NH1-OE2 2.68Å; E132-R149 IonicContact OE1-NE 3.91Å; E132-R149 PolarHBondContact OE1-NE 2.92Å; E132-R149 WeakPolarHBondContact OE2-CD 3.44Å; E132-R149 IonicContact OE2-NE 3.86Å; E132-R151 IonicContact OE1-CZ 3.55Å; E132-R151 IonicContact OE1-NE 2.92Å; E132-R151 IonicContact OE1-NH2 3.54Å; E132-R151 PolarHBondContact OE1-NH2 2.88Å; E132-E169 PolarHBondContact N-O 2.94Å; E132-E170 CarbonylContact O-C 3.55Å; E132-E170 WeakPolarHBondContact O-CA 3.44Å; E132-L171 PolarHBondContact O-N 3.31Å |
| 133 | L | 83.2 | Confident | 79.8 | Confident | 58 Ų | 58 | 32.5 Ų | 32.5 | 30% | 0.304 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 121.2 | -178.6 | 174.3 | 60.9 | 0 | 0 | 0 | 110.9 | E94 L95 V96 L171 | E94-L133 PolarHBondContact O-N 2.91Å; L95-L133 CarbonylContact C-O 3.01Å; L95-L133 WeakPolarHBondContact CA-O 3.35Å; L95-L133 HydrophobicContact CD1-CB 3.75Å; L95-L133 HydrophobicContact CD1-CD2 3.51Å; L95-L133 HydrophobicContact CD1-CG 3.4Å; L95-L133 VanDerWaalsContact CD1-CG 3.4Å; L95-L133 WeakPolarHBondContact CD1-O 3.38Å; V96-L133 PolarHBondContact N-O 2.94Å; L133-L171 CarbonylContact C-O 3.58Å; L133-L171 WeakPolarHBondContact CA-O 3.26Å; L133-L171 HydrophobicContact CD1-CB 3.66Å; L133-L171 HydrophobicContact CD1-CD2 3.58Å; L133-L171 HydrophobicContact CD1-CG 3.42Å; L133-L171 VanDerWaalsContact CD1-CG 3.42Å; L133-L171 WeakPolarHBondContact CD1-O 3.23Å |
| 134 | V | 81.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 106.2 | 168.5 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | V96 E109 V136 E147 L171 V172 N173 | V96-V134 HydrophobicContact CB-CG2 4.42Å; V96-V134 WeakPolarHBondContact O-CA 3.4Å; E109-V134 HydrophobicContact CB-CG2 3.69Å; V134-V136 HydrophobicContact CG1-CG2 3.83Å; V134-E147 HydrophobicContact CG2-CB 4.17Å; V134-E147 HydrophobicContact CG2-CG 4.09Å; V134-L171 PolarHBondContact N-O 2.63Å; V134-V172 HydrophobicContact CB-CG2 4.41Å; V134-V172 WeakPolarHBondContact O-CA 3.33Å; V134-N173 PolarHBondContact O-N 3.49Å |
| 135 | N | 86.5 | Confident | 80.8 | Confident | 34 Ų | 34 | 29.6 Ų | 29.6 | 18% | 0.182 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119.9 | 175 | -171.3 | 48.8 | 0 | 0 | 0 | 109.9 | V96 N97 V98 N173 | V96-N135 PolarHBondContact O-N 2.96Å; N97-N135 CarbonylContact C-O 3.57Å; N97-N135 VanDerWaalsContact CA-O 3.29Å; N97-N135 WeakPolarHBondContact CA-O 2.99Å; N97-N135 PolarHBondContact OD1-ND2 3.17Å; N97-N135 PolarHBondContact OD1-O 2.84Å; V98-N135 PolarHBondContact N-O 2.81Å; N135-N173 CarbonylContact C-O 3.6Å; N135-N173 WeakPolarHBondContact CA-O 3.25Å; N135-N173 PolarHBondContact OD1-ND2 2.86Å; N135-N173 PolarHBondContact OD1-O 2.59Å |
| 136 | V | 83.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 117.1 | 179.1 | -164.9 | 0 | 0 | 0 | 0 | 108 | V98 V105 V134 V143 N173 V174 T175 | V98-V136 HydrophobicContact CB-CG1 4.21Å; V98-V136 CarbonylContact O-C 3.59Å; V98-V136 WeakPolarHBondContact O-CA 2.85Å; V105-V136 HydrophobicContact CB-CG1 3.85Å; V105-V136 HydrophobicContact CG1-CG1 3.31Å; V134-V136 HydrophobicContact CG1-CG2 3.83Å; V136-V143 HydrophobicContact CB-CG1 3.75Å; V136-V143 HydrophobicContact CG1-CG1 3.26Å; V136-N173 PolarHBondContact N-O 2.83Å; V136-V174 HydrophobicContact CB-CG1 4.21Å; V136-V174 CarbonylContact O-C 3.59Å; V136-V174 WeakPolarHBondContact O-CA 3.17Å; V136-T175 PolarHBondContact O-N 3.19Å |
| 137 | T | 86.7 | Confident | 81.9 | Confident | 39 Ų | 39 | 28.4 Ų | 28.4 | 24% | 0.239 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.6 | -176.8 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | V98 T99 D100 T175 | V98-T137 PolarHBondContact O-N 2.73Å; T99-T137 VanDerWaalsContact CA-O 3.28Å; T99-T137 WeakPolarHBondContact CA-O 3.38Å; D100-T137 PolarHBondContact N-O 2.63Å; T137-T175 VanDerWaalsContact CA-O 3.3Å; T137-T175 WeakPolarHBondContact CA-O 3.46Å |
| 138 | D | 85.8 | Confident | 82.8 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.011 | 17% | 0.17 | C | C | . | . | trans | -126.4 | 165.6 | 163.7 | -162.9 | -0.8 | 0 | 0 | 0 | 109 | D100 Q102 G103 V105 Q140 V143 T175 D176 | D100-D138 WeakPolarHBondContact O-CA 3.38Å; Q102-D138 PolarHBondContact N-OD1 3.39Å; G103-D138 PolarHBondContact N-OD2 2.6Å; V105-D138 HydrophobicContact CG2-CB 3.75Å; D138-Q140 PolarHBondContact OD1-N 3.07Å; D138-V143 HydrophobicContact CB-CG2 3.28Å; D138-T175 PolarHBondContact N-O 3.2Å; D138-D176 WeakPolarHBondContact O-CA 3.41Å | ||
| 139 | K | 84.7 | Confident | 83.8 | Confident | 91 Ų | 91 | 30.5 Ų | 30.5 | 40% | 0.396 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -98 | -32.6 | 167 | -54.7 | 177.7 | 179.9 | 179.9 | 0 | 111.6 | K101 K177 Q178 | K101-K139 HydrophobicContact CB-CD 4.18Å; K101-K139 HydrophobicContact CG-CD 4.42Å; K101-K139 WeakPolarHBondContact O-CB 3.43Å; K139-K177 HydrophobicContact CB-CD 4.18Å; K139-K177 HydrophobicContact CG-CD 4.43Å; K139-K177 VanDerWaalsContact O-CB 3.25Å; K139-K177 WeakPolarHBondContact O-CB 3.49Å; K139-Q178 PolarHBondContact O-N 3.13Å |
| 140 | Q | 82.4 | Confident | 84.6 | Confident | 82 Ų | 82 | 32.2 Ų | 32.2 | 38% | 0.383 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -155.3 | 109.4 | -177.7 | -67.8 | -174.4 | -25.7 | 0 | 0 | 110.6 | Q102 G103 D138 D176 Q178 | Q102-Q140 WeakPolarHBondContact CA-O 3.47Å; Q102-Q140 HydrophobicContact CG-CB 4.3Å; G103-Q140 PolarHBondContact N-O 2.89Å; G103-Q140 VanDerWaalsContact N-O 3.14Å; D138-Q140 PolarHBondContact OD1-N 3.07Å; Q140-D176 PolarHBondContact N-OD1 2.97Å; Q140-Q178 WeakPolarHBondContact CA-O 3.35Å; Q140-Q178 HydrophobicContact CG-CB 4.39Å |
| 141 | G | 86.1 | Confident | 85 | Confident | 22 Ų | 22 | 32.7 Ų | 32.7 | 23% | 0.227 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.9 | -130.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | G103 D176 Q178 G179 V180 | G103-G141 CarbonylContact O-C 3.59Å; G103-G141 VanDerWaalsContact O-CA 3.22Å; G103-G141 WeakPolarHBondContact O-CA 3.38Å; G141-D176 PolarHBondContact N-OD2 3.05Å; G141-Q178 PolarHBondContact N-O 3.02Å; G141-Q178 VanDerWaalsContact N-O 3.11Å; G141-G179 CarbonylContact O-C 3.59Å; G141-G179 WeakPolarHBondContact O-CA 3.36Å; G141-V180 PolarHBondContact O-N 2.88Å |
| 142 | V | 86.2 | Confident | 85.3 | Confident | 54 Ų | 54 | 31.8 Ų | 31.8 | 33% | 0.327 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 117.4 | 178.4 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | G103 V104 V105 V144 V180 | G103-V142 PolarHBondContact O-N 2.76Å; V104-V142 CarbonylContact C-O 3.59Å; V104-V142 WeakPolarHBondContact CA-O 3.28Å; V104-V142 HydrophobicContact CG1-CB 4.35Å; V104-V142 HydrophobicContact CG2-CB 4.32Å; V105-V142 PolarHBondContact N-O 3.2Å; V142-V144 HydrophobicContact CG1-CG2 4.16Å; V142-V180 CarbonylContact C-O 3.58Å; V142-V180 WeakPolarHBondContact CA-O 3.49Å; V142-V180 HydrophobicContact CG1-CB 4.34Å; V142-V180 HydrophobicContact CG2-CB 4.32Å |
| 143 | V | 85.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 122.5 | -175.1 | -162.8 | 0 | 0 | 0 | 0 | 109.6 | V105 V136 D138 V174 D176 V180 V181 V182 | V105-V143 HydrophobicContact CB-CG1 4.29Å; V105-V143 CarbonylContact O-C 3.53Å; V105-V143 WeakPolarHBondContact O-CA 3.33Å; V136-V143 HydrophobicContact CB-CG1 3.75Å; V136-V143 HydrophobicContact CG1-CG1 3.26Å; D138-V143 HydrophobicContact CB-CG2 3.28Å; V143-V174 HydrophobicContact CB-CG1 3.8Å; V143-V174 HydrophobicContact CG1-CG1 3.29Å; V143-D176 HydrophobicContact CG2-CB 3.72Å; V143-V180 PolarHBondContact N-O 2.58Å; V143-V181 HydrophobicContact CB-CG1 4.28Å; V143-V181 CarbonylContact O-C 3.56Å; V143-V181 WeakPolarHBondContact O-CA 3.42Å; V143-V182 PolarHBondContact O-N 3.03Å |
| 144 | V | 85.7 | Confident | 85.6 | Confident | 26 Ų | 26 | 34.6 Ų | 34.6 | 16% | 0.158 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 106.3 | -179.1 | -175 | 0 | 0 | 0 | 0 | 109.8 | V105 V106 G107 V142 Q146 V182 | V105-V144 PolarHBondContact O-N 3.31Å; V106-V144 CarbonylContact C-O 3.44Å; V106-V144 WeakPolarHBondContact CA-O 3.45Å; V106-V144 HydrophobicContact CG1-CB 4.44Å; V106-V144 HydrophobicContact CG2-CB 4.32Å; G107-V144 PolarHBondContact N-O 2.87Å; V142-V144 HydrophobicContact CG1-CG2 4.16Å; V144-Q146 HydrophobicContact CG1-CG 3.93Å; V144-V182 CarbonylContact C-O 3.58Å; V144-V182 WeakPolarHBondContact CA-O 3.37Å; V144-V182 HydrophobicContact CG1-CB 4.41Å; V144-V182 HydrophobicContact CG2-CB 4.33Å |
| 145 | G | 86.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | G107 V182 G183 Q184 | G107-G145 CarbonylContact O-C 3.56Å; G107-G145 WeakPolarHBondContact O-CA 3.35Å; G145-V182 PolarHBondContact N-O 2.95Å; G145-G183 CarbonylContact O-C 3.6Å; G145-G183 WeakPolarHBondContact O-CA 3.46Å; G145-Q184 PolarHBondContact O-N 2.86Å |
| 146 | Q | 88.1 | Confident | 85.6 | Confident | 29 Ų | 29 | 34.9 Ų | 34.9 | 14% | 0.136 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 129.8 | 173.7 | -55.9 | -172.1 | -0.2 | 0 | 0 | 113.3 | G107 Q108 E109 V144 Q184 | G107-Q146 PolarHBondContact O-N 2.76Å; Q108-Q146 CarbonylContact C-O 3.55Å; Q108-Q146 VanDerWaalsContact CA-O 3.24Å; Q108-Q146 WeakPolarHBondContact CA-O 3.29Å; Q108-Q146 HydrophobicContact CG-CB 4.2Å; E109-Q146 PolarHBondContact N-O 2.91Å; V144-Q146 HydrophobicContact CG1-CG 3.93Å; Q146-Q184 CarbonylContact C-O 3.6Å; Q146-Q184 VanDerWaalsContact CA-O 3.23Å; Q146-Q184 WeakPolarHBondContact CA-O 3.4Å; Q146-Q184 HydrophobicContact CG-CB 4.22Å |
| 147 | E | 88.1 | Confident | 85.4 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134.3 | 173.3 | -159.3 | -124.2 | 107.4 | 0 | 0 | 110.4 | E109 V134 V172 Q184 E185 K186 | E109-E147 HydrophobicContact CB-CG 4.01Å; V134-E147 HydrophobicContact CG2-CB 4.17Å; V134-E147 HydrophobicContact CG2-CG 4.09Å; E147-V172 HydrophobicContact CB-CG2 3.55Å; E147-Q184 PolarHBondContact N-O 2.87Å; E147-E185 HydrophobicContact CB-CG 4.05Å; E147-E185 WeakPolarHBondContact OE2-CG 2.87Å; E147-K186 PolarHBondContact O-N 2.93Å |
| 148 | K | 88.9 | Confident | 85 | Confident | 68 Ų | 68 | 34 Ų | 34 | 30% | 0.296 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 98.8 | -173.3 | -75 | 177.8 | 178.1 | 130.4 | 0 | 111.2 | E109 K110 R111 K186 | E109-K148 PolarHBondContact O-N 2.93Å; K110-K148 WeakPolarHBondContact CA-O 3.3Å; K110-K148 HydrophobicContact CG-CB 4.23Å; R111-K148 PolarHBondContact N-O 3.38Å; K148-K186 HydrophobicContact CG-CB 4.22Å |
| 149 | R | 86.7 | Confident | 84.5 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142.7 | -176.9 | -172.7 | 177.1 | -179.6 | -113.9 | -83.4 | 115.9 | R111 E132 R151 E168 E170 K186 R187 R188 | R111-R149 HydrophobicContact CB-CG 4.46Å; R111-R149 CarbonylContact O-C 3.58Å; R111-R149 WeakPolarHBondContact O-CA 3.37Å; E132-R149 IonicContact OE1-NE 3.91Å; E132-R149 PolarHBondContact OE1-NE 2.92Å; E132-R149 WeakPolarHBondContact OE2-CD 3.44Å; E132-R149 IonicContact OE2-NE 3.86Å; R149-R151 HydrophobicContact CG-CG 4.2Å; R149-E168 IonicContact CZ-OE2 3.4Å; R149-E168 IonicContact NH1-OE2 3.97Å; R149-E168 PolarHBondContact NH1-OE2 3.25Å; R149-E168 IonicContact NH2-OE2 3.69Å; R149-E168 PolarHBondContact NH2-OE2 2.59Å; R149-E170 VanDerWaalsContact CD-CD 3.42Å; R149-E170 WeakPolarHBondContact CD-OE1 3.34Å; R149-E170 VanDerWaalsContact CD-OE2 3.24Å; R149-E170 WeakPolarHBondContact CD-OE2 3.33Å; R149-E170 IonicContact CZ-OE1 2.7Å; R149-E170 IonicContact CZ-OE2 3.9Å; R149-E170 IonicContact NE-OE1 3.15Å; R149-E170 PolarHBondContact NE-OE1 2.72Å; R149-E170 IonicContact NE-OE2 3.42Å; R149-E170 IonicContact NH1-OE1 3.39Å; R149-E170 PolarHBondContact NH1-OE1 3.03Å; R149-E170 IonicContact NH1-OE2 2.79Å; R149-E170 PolarHBondContact NH1-OE2 3.35Å; R149-K186 PolarHBondContact N-O 2.92Å; R149-R187 HydrophobicContact CB-CG 4.41Å; R149-R187 VanDerWaalsContact NH1-NH2 3.17Å; R149-R187 VanDerWaalsContact NH2-NH2 3.19Å; R149-R188 PolarHBondContact O-N 3.07Å |
| 150 | R | 85.7 | Confident | 84.1 | Confident | 68 Ų | 68 | 36.4 Ų | 36.4 | 26% | 0.257 | 18% | 0.182 | S | C | . | . | trans | -141.5 | 97.6 | 174.3 | -176.2 | -178.8 | 168.2 | -179.7 | -1.8 | 112.4 | R111 R112 R113 R152 R188 | R111-R150 PolarHBondContact O-N 3.34Å; R112-R150 WeakPolarHBondContact CA-O 3.44Å; R113-R150 PolarHBondContact N-O 3.49Å; R113-R150 VanDerWaalsContact N-O 3.14Å; R150-R152 VanDerWaalsContact NH2-CZ 3.32Å; R150-R188 WeakPolarHBondContact CA-O 3.35Å; R150-R188 HydrophobicContact CG-CB 4.48Å | ||
| 151 | R | 85.3 | Confident | 83.7 | Confident | 13 Ų | 13 | 32.5 Ų | 32.5 | 5% | 0.049 | 16% | 0.164 | C | C | . | . | trans | -97.2 | 139.1 | 172.1 | -59.6 | -155.7 | -161.8 | 144.2 | 13 | 113.1 | R113 E130 E132 R149 E168 E170 R188 R190 | R113-R151 HydrophobicContact CB-CB 4.39Å; R113-R151 HydrophobicContact CB-CG 3.82Å; R113-R151 WeakPolarHBondContact O-CA 3.34Å; E130-R151 VanDerWaalsContact CB-NH2 3.32Å; E130-R151 IonicContact OE1-CZ 3.19Å; E130-R151 VanDerWaalsContact OE1-CZ 3.3Å; E130-R151 IonicContact OE1-NE 3.38Å; E130-R151 IonicContact OE1-NH1 2.76Å; E130-R151 PolarHBondContact OE1-NH1 2.84Å; E130-R151 IonicContact OE1-NH2 3.07Å; E130-R151 IonicContact OE2-CZ 3.2Å; E130-R151 IonicContact OE2-NE 2.58Å; E130-R151 PolarHBondContact OE2-NE 3Å; E130-R151 VanDerWaalsContact OE2-NE 3.16Å; E130-R151 IonicContact OE2-NH1 2.78Å; E130-R151 PolarHBondContact OE2-NH1 2.88Å; E130-R151 IonicContact OE2-NH2 2.6Å; E130-R151 PolarHBondContact OE2-NH2 3.39Å; E132-R151 IonicContact OE1-CZ 3.55Å; E132-R151 IonicContact OE1-NE 2.92Å; E132-R151 IonicContact OE1-NH2 3.54Å; E132-R151 PolarHBondContact OE1-NH2 2.88Å; R149-R151 HydrophobicContact CG-CG 4.2Å; R151-E168 IonicContact CZ-OE2 3.79Å; R151-E168 IonicContact NH1-OE1 3.14Å; R151-E168 PolarHBondContact NH1-OE1 2.84Å; R151-E168 VanDerWaalsContact NH1-OE1 3.07Å; R151-E168 IonicContact NH1-OE2 3.44Å; R151-E168 PolarHBondContact NH1-OE2 2.78Å; R151-E168 IonicContact NH2-OE2 3.08Å; R151-E170 IonicContact NH2-OE1 3.73Å; R151-R188 PolarHBondContact N-O 3.47Å; R151-R190 PolarHBondContact O-N 2.98Å | ||
| 152 | R | 84.2 | Confident | 83.4 | Confident | 72 Ų | 72 | 35.5 Ų | 35.5 | 27% | 0.272 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 114.8 | 169.3 | -63.2 | -173.1 | 170.8 | -173.5 | -5.3 | 109.5 | R113 R114 R115 R150 R190 | R113-R152 PolarHBondContact O-N 2.97Å; R114-R152 CarbonylContact C-O 3.56Å; R114-R152 WeakPolarHBondContact CA-O 3.49Å; R114-R152 HydrophobicContact CG-CB 4.28Å; R115-R152 PolarHBondContact N-O 2.9Å; R150-R152 VanDerWaalsContact NH2-CZ 3.32Å; R152-R190 CarbonylContact C-O 3.56Å; R152-R190 VanDerWaalsContact CA-O 3.3Å; R152-R190 WeakPolarHBondContact CA-O 2.95Å; R152-R190 HydrophobicContact CG-CB 4.25Å |
| 153 | R | 84.7 | Confident | 83.1 | Confident | 28 Ų | 28 | 33 Ų | 33 | 11% | 0.106 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 130 | 175.4 | -169.8 | 172.4 | -179.8 | -125.9 | -3.4 | 109.7 | R115 T155 S163 R190 R191 R192 | R115-R153 CarbonylContact O-C 3.53Å; R115-R153 WeakPolarHBondContact O-CA 3.47Å; R153-T155 VanDerWaalsContact CZ-OG1 3.27Å; R153-T155 PolarHBondContact NE-OG1 2.91Å; R153-T155 PolarHBondContact NH2-OG1 2.97Å; R153-S163 PolarHBondContact NH1-OG 2.93Å; R153-S163 PolarHBondContact NH2-OG 2.95Å; R153-R190 PolarHBondContact N-O 2.92Å; R153-R191 HydrophobicContact CB-CG 4.49Å; R153-R191 CarbonylContact O-C 3.57Å; R153-R191 WeakPolarHBondContact O-CA 3.37Å; R153-R192 PolarHBondContact O-N 2.85Å |
| 154 | R | 85.4 | Confident | 82.7 | Confident | 94 Ų | 94 | 35.7 Ų | 35.7 | 36% | 0.355 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 115.7 | 165.7 | -177.8 | 178.3 | 179.6 | -178.5 | -1.2 | 107.4 | R115 R116 T117 R192 | R115-R154 PolarHBondContact O-N 2.88Å; R116-R154 CarbonylContact C-O 3.58Å; R116-R154 VanDerWaalsContact CA-O 3.31Å; R116-R154 WeakPolarHBondContact CA-O 3.5Å; R116-R154 HydrophobicContact CG-CB 4.48Å; T117-R154 PolarHBondContact N-O 3.47Å; R154-R192 CarbonylContact C-O 3.56Å; R154-R192 VanDerWaalsContact CA-O 3.3Å; R154-R192 WeakPolarHBondContact CA-O 3.24Å; R154-R192 HydrophobicContact CG-CB 4.48Å |
| 155 | T | 83.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 133.1 | 175 | -51 | 0 | 0 | 0 | 0 | 107.8 | T117 R153 L157 R192 T193 T194 | T117-T155 WeakPolarHBondContact O-CA 3.49Å; R153-T155 VanDerWaalsContact CZ-OG1 3.27Å; R153-T155 PolarHBondContact NE-OG1 2.91Å; R153-T155 PolarHBondContact NH2-OG1 2.97Å; T155-L157 HydrophobicContact CG2-CD1 4.48Å; T155-L157 HydrophobicContact CG2-CD2 3.65Å; T155-L157 HydrophobicContact CG2-CG 3.86Å; T155-R192 PolarHBondContact N-O 3.46Å; T155-T193 WeakPolarHBondContact O-CA 3.07Å; T155-T194 PolarHBondContact O-N 2.84Å |
| 156 | T | 84.3 | Confident | 81 | Confident | 39 Ų | 39 | 36.2 Ų | 36.2 | 24% | 0.239 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 115 | 170.3 | -59.6 | 0 | 0 | 0 | 0 | 106.1 | T117 T118 L119 T194 | T117-T156 PolarHBondContact O-N 2.87Å; T118-T156 VanDerWaalsContact CA-O 3.3Å; T118-T156 WeakPolarHBondContact CA-O 3.47Å; L119-T156 PolarHBondContact N-O 2.87Å; T156-T194 VanDerWaalsContact CA-O 3.3Å; T156-T194 WeakPolarHBondContact CA-O 2.71Å |
| 157 | L | 79.4 | Confident | 80.1 | Confident | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | trans | -108.5 | 149.1 | 177.9 | -57.1 | -169.1 | 0 | 0 | 0 | 108.9 | L119 T155 G161 E162 T194 L195 G196 | L119-L157 HydrophobicContact CB-CD2 3.78Å; L119-L157 HydrophobicContact CD1-CD2 3.55Å; L119-L157 HydrophobicContact CG-CD2 3.58Å; T155-L157 HydrophobicContact CG2-CD1 4.48Å; T155-L157 HydrophobicContact CG2-CD2 3.65Å; T155-L157 HydrophobicContact CG2-CG 3.86Å; L157-G161 VanDerWaalsContact CD1-C 3.41Å; L157-G161 VanDerWaalsContact CD1-O 3.3Å; L157-G161 WeakPolarHBondContact CD1-O 3.42Å; L157-E162 WeakPolarHBondContact CD1-O 3.38Å; L157-T194 PolarHBondContact N-O 2.91Å; L157-L195 HydrophobicContact CB-CD2 3.8Å; L157-L195 HydrophobicContact CD1-CD2 3.57Å; L157-L195 HydrophobicContact CG-CD2 3.65Å; L157-G196 PolarHBondContact O-N 3.11Å | ||
| 158 | G | 78.5 | Confident | 79.6 | Confident | 15 Ų | 15 | 36.7 Ų | 36.7 | 16% | 0.155 | 19% | 0.187 | C | C | . | . | trans | -70.5 | -162.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G120 L160 G196 | G120-G158 VanDerWaalsContact O-CA 3.28Å; G120-G158 WeakPolarHBondContact O-CA 3.14Å; G120-G158 PolarHBondContact O-N 2.83Å; G120-G158 VanDerWaalsContact O-N 3.12Å; G158-L160 PolarHBondContact O-N 2.86Å; G158-G196 WeakPolarHBondContact O-CA 3.37Å; G158-G196 PolarHBondContact O-N 3.1Å; G158-G196 VanDerWaalsContact O-N 3.14Å | ||
| 159 | P | 74.7 | Confident | 79.2 | Confident | 57 Ų | 57 | 38 Ų | 38 | 37% | 0.37 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -40 | -172.3 | -27.6 | 38.8 | 0 | 0 | 0 | 116.1 | P197 L198 G199 | P159-P197 HydrophobicContact CB-CG 4.43Å; P159-L198 CarbonylContact O-C 3.4Å; P159-L198 WeakPolarHBondContact O-CA 3.47Å; P159-L198 VanDerWaalsContact O-CB 3.31Å; P159-L198 WeakPolarHBondContact O-CB 3.05Å; P159-L198 PolarHBondContact O-N 3.17Å; P159-G199 PolarHBondContact O-N 2.83Å |
| 160 | L | 76.2 | Confident | 79 | Confident | 85 Ų | 85 | 38 Ų | 38 | 45% | 0.445 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 48 | -174.5 | -69.6 | 163.9 | 0 | 0 | 0 | 109.7 | P121 L122 G158 L198 | P121-L160 CarbonylContact O-C 3.59Å; P121-L160 WeakPolarHBondContact O-CA 3.36Å; P121-L160 WeakPolarHBondContact O-CB 3.34Å; P121-L160 PolarHBondContact O-N 2.82Å; L122-L160 HydrophobicContact CD2-CB 3.53Å; L122-L160 HydrophobicContact CD2-CD1 3.58Å; L122-L160 HydrophobicContact CD2-CG 4.18Å; L122-L160 HydrophobicContact CG-CB 4.27Å; L122-L160 HydrophobicContact CG-CD1 4.27Å; G158-L160 PolarHBondContact O-N 2.86Å; L160-L198 HydrophobicContact CD2-CB 3.65Å; L160-L198 HydrophobicContact CD2-CD1 3.5Å; L160-L198 HydrophobicContact CD2-CG 4.21Å; L160-L198 HydrophobicContact CG-CB 4.47Å; L160-L198 HydrophobicContact CG-CD1 4.35Å |
| 161 | G | 75.1 | Confident | 79 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G123 L157 G199 E200 | G123-G161 CarbonylContact O-C 3.56Å; G123-G161 WeakPolarHBondContact O-CA 3.38Å; L157-G161 VanDerWaalsContact CD1-C 3.41Å; L157-G161 VanDerWaalsContact CD1-O 3.3Å; L157-G161 WeakPolarHBondContact CD1-O 3.42Å; G161-G199 WeakPolarHBondContact O-CA 3.16Å; G161-E200 PolarHBondContact O-N 3.18Å |
| 162 | E | 79.8 | Confident | 78.9 | Confident | 86 Ų | 86 | 36.8 Ų | 36.8 | 40% | 0.402 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 142.1 | 174.9 | -60.8 | -173.6 | -167.2 | 0 | 0 | 111.1 | G123 E124 S125 L157 E200 | G123-E162 PolarHBondContact O-N 2.84Å; G123-E162 VanDerWaalsContact O-N 3.14Å; E124-E162 CarbonylContact C-O 3.57Å; E124-E162 WeakPolarHBondContact CA-O 3.47Å; E124-E162 HydrophobicContact CG-CB 4.37Å; S125-E162 PolarHBondContact N-O 2.9Å; L157-E162 WeakPolarHBondContact CD1-O 3.38Å; E162-E200 WeakPolarHBondContact CA-O 3.39Å; E162-E200 HydrophobicContact CG-CB 4.37Å |
| 163 | S | 78.7 | Confident | 79.1 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | trans | -136.7 | 106.7 | 169.9 | 152.1 | 0 | 0 | 0 | 0 | 110.6 | S125 R153 E200 S201 T202 | S125-S163 WeakPolarHBondContact O-CA 3.34Å; R153-S163 PolarHBondContact NH1-OG 2.93Å; R153-S163 PolarHBondContact NH2-OG 2.95Å; S163-E200 PolarHBondContact N-O 2.8Å; S163-S201 WeakPolarHBondContact O-CA 3.32Å; S163-S201 PolarHBondContact O-OG 2.85Å; S163-T202 PolarHBondContact O-N 2.78Å; S163-T202 VanDerWaalsContact O-O 3.04Å | ||
| 164 | T | 77.2 | Confident | 79.1 | Confident | 56 Ų | 56 | 33.7 Ų | 33.7 | 34% | 0.344 | 19% | 0.185 | S | C | . | . | trans | -93.7 | 128.8 | 165.4 | -56 | 0 | 0 | 0 | 0 | 109.3 | S125 T126 T127 T202 | S125-T164 PolarHBondContact O-N 2.92Å; T126-T164 WeakPolarHBondContact CA-O 3.38Å; T127-T164 PolarHBondContact N-O 2.89Å; T164-T202 WeakPolarHBondContact CA-O 3.46Å | ||
| 165 | T | 70.2 | Confident | 79.3 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | trans | -106 | 164.8 | 153 | 67 | 0 | 0 | 0 | 0 | 107.8 | T127 T202 T203 P204 | T127-T165 HydrophobicContact CG2-CG2 4.49Å; T127-T165 WeakPolarHBondContact OG1-CA 3.46Å; T127-T165 WeakPolarHBondContact OG1-CB 3.48Å; T127-T165 VanDerWaalsContact OG1-CG2 3.23Å; T127-T165 WeakPolarHBondContact OG1-CG2 3.23Å; T165-T202 PolarHBondContact N-O 2.64Å; T165-T202 VanDerWaalsContact N-O 3.09Å; T165-T203 HydrophobicContact CG2-CG2 3.98Å; T165-T203 WeakPolarHBondContact OG1-CB 3.45Å; T165-T203 WeakPolarHBondContact OG1-CG2 2.93Å; T165-P204 WeakPolarHBondContact O-CD 3.39Å; T165-P204 VanDerWaalsContact O-CG 3.23Å; T165-P204 WeakPolarHBondContact O-CG 3.47Å | ||
| 166 | P | 65.7 | Low | 79.5 | Confident | 34 Ų | 34 | 31.2 Ų | 31.2 | 22% | 0.221 | 18% | 0.18 | C | C | . | . | trans | -106.4 | -171 | 170.1 | -15 | 39.4 | 0 | 0 | 0 | 110.1 | T127 P128 P204 | T127-P166 WeakPolarHBondContact O-CD 3.09Å; T127-P166 WeakPolarHBondContact O-CG 3.15Å; T127-P166 WeakPolarHBondContact OG1-CD 3.22Å; P128-P166 WeakPolarHBondContact O-CD 3.47Å; P166-P204 HydrophobicContact CB-CG 4.42Å | ||
| 167 | G | 69.9 | Low | 79.6 | Confident | 26 Ų | 26 | 33.7 Ų | 33.7 | 27% | 0.268 | 19% | 0.187 | S | C | . | . | trans | -61 | 159 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | G129 E130 G205 | G129-G167 VanDerWaalsContact CA-O 3.3Å; G129-G167 WeakPolarHBondContact CA-O 3.44Å; E130-G167 PolarHBondContact N-O 2.86Å; G167-G205 WeakPolarHBondContact CA-O 3.11Å | ||
| 168 | E | 78 | Confident | 79.8 | Confident | 13 Ų | 13 | 37.2 Ų | 37.2 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 119.8 | 168.8 | -56.5 | 175.3 | -170 | 0 | 0 | 105.1 | E130 R149 R151 R187 R189 G205 E206 E207 | E130-E168 WeakPolarHBondContact O-CA 2.88Å; R149-E168 IonicContact CZ-OE2 3.4Å; R149-E168 IonicContact NH1-OE2 3.97Å; R149-E168 PolarHBondContact NH1-OE2 3.25Å; R149-E168 IonicContact NH2-OE2 3.69Å; R149-E168 PolarHBondContact NH2-OE2 2.59Å; R151-E168 IonicContact CZ-OE2 3.79Å; R151-E168 IonicContact NH1-OE1 3.14Å; R151-E168 PolarHBondContact NH1-OE1 2.84Å; R151-E168 VanDerWaalsContact NH1-OE1 3.07Å; R151-E168 IonicContact NH1-OE2 3.44Å; R151-E168 PolarHBondContact NH1-OE2 2.78Å; R151-E168 IonicContact NH2-OE2 3.08Å; E168-R187 IonicContact OE2-CZ 2.57Å; E168-R187 IonicContact OE2-NH2 3.75Å; E168-R187 PolarHBondContact OE2-NH2 3.23Å; E168-R189 IonicContact OE1-CZ 3.73Å; E168-R189 IonicContact OE1-NE 3Å; E168-R189 IonicContact OE1-NH2 2.63Å; E168-R189 PolarHBondContact OE1-NH2 2.58Å; E168-G205 PolarHBondContact N-O 2.85Å; E168-E206 HydrophobicContact CB-CG 4.39Å; E168-E206 VanDerWaalsContact O-CA 3.3Å; E168-E206 WeakPolarHBondContact O-CA 3.28Å; E168-E206 VanDerWaalsContact OE2-OE1 3.12Å; E168-E207 PolarHBondContact O-N 3.27Å |
| 169 | E | 79.5 | Confident | 80.1 | Confident | 95 Ų | 95 | 37.5 Ų | 37.5 | 44% | 0.444 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128 | 179.8 | -62.9 | -176.9 | -163.5 | 0 | 0 | 108.6 | E130 E131 E132 E207 | E130-E169 PolarHBondContact O-N 2.95Å; E131-E169 WeakPolarHBondContact CA-O 3.39Å; E131-E169 HydrophobicContact CG-CB 4.34Å; E132-E169 PolarHBondContact N-O 2.94Å; E169-E207 CarbonylContact C-O 3.59Å; E169-E207 WeakPolarHBondContact CA-O 3.43Å; E169-E207 HydrophobicContact CG-CB 4.32Å |
| 170 | E | 82.8 | Confident | 80.7 | Confident | 5 Ų | 5 | 37.4 Ų | 37.4 | 2% | 0.023 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 124.9 | -179.5 | -43.5 | -155.7 | 124.5 | 0 | 0 | 108.9 | E132 R149 R151 R187 E207 E208 L209 | E132-E170 CarbonylContact O-C 3.55Å; E132-E170 WeakPolarHBondContact O-CA 3.44Å; R149-E170 VanDerWaalsContact CD-CD 3.42Å; R149-E170 WeakPolarHBondContact CD-OE1 3.34Å; R149-E170 VanDerWaalsContact CD-OE2 3.24Å; R149-E170 WeakPolarHBondContact CD-OE2 3.33Å; R149-E170 IonicContact CZ-OE1 2.7Å; R149-E170 IonicContact CZ-OE2 3.9Å; R149-E170 IonicContact NE-OE1 3.15Å; R149-E170 PolarHBondContact NE-OE1 2.72Å; R149-E170 IonicContact NE-OE2 3.42Å; R149-E170 IonicContact NH1-OE1 3.39Å; R149-E170 PolarHBondContact NH1-OE1 3.03Å; R149-E170 IonicContact NH1-OE2 2.79Å; R149-E170 PolarHBondContact NH1-OE2 3.35Å; R151-E170 IonicContact NH2-OE1 3.73Å; E170-R187 WeakPolarHBondContact OE2-CD 3.42Å; E170-R187 IonicContact OE2-CZ 2.58Å; E170-R187 IonicContact OE2-NE 3.55Å; E170-R187 PolarHBondContact OE2-NE 3.45Å; E170-E207 PolarHBondContact N-O 3.01Å; E170-E208 HydrophobicContact CB-CG 4.31Å; E170-E208 HydrophobicContact CG-CG 4.38Å; E170-E208 WeakPolarHBondContact O-CA 3.42Å; E170-L209 PolarHBondContact O-N 2.6Å |
| 171 | L | 85.2 | Confident | 81.2 | Confident | 56 Ų | 56 | 33.3 Ų | 33.3 | 29% | 0.293 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 120.6 | -177.6 | 175.3 | 56.3 | 0 | 0 | 0 | 110.1 | E132 L133 V134 N173 L209 | E132-L171 PolarHBondContact O-N 3.31Å; L133-L171 CarbonylContact C-O 3.58Å; L133-L171 WeakPolarHBondContact CA-O 3.26Å; L133-L171 HydrophobicContact CD1-CB 3.66Å; L133-L171 HydrophobicContact CD1-CD2 3.58Å; L133-L171 HydrophobicContact CD1-CG 3.42Å; L133-L171 VanDerWaalsContact CD1-CG 3.42Å; L133-L171 WeakPolarHBondContact CD1-O 3.23Å; V134-L171 PolarHBondContact N-O 2.63Å; L171-N173 HydrophobicContact CD1-CB 4.42Å; L171-N173 HydrophobicContact CG-CB 4.44Å; L171-L209 CarbonylContact C-O 3.6Å; L171-L209 WeakPolarHBondContact CA-O 3.49Å; L171-L209 HydrophobicContact CD1-CB 3.76Å; L171-L209 HydrophobicContact CD1-CD2 3.6Å; L171-L209 HydrophobicContact CD1-CG 3.47Å; L171-L209 VanDerWaalsContact CD1-CG 3.47Å; L171-L209 WeakPolarHBondContact CD1-O 3.38Å |
| 172 | V | 83.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 104 | 166.1 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | V134 E147 V174 E185 L209 V210 N211 | V134-V172 HydrophobicContact CB-CG2 4.41Å; V134-V172 WeakPolarHBondContact O-CA 3.33Å; E147-V172 HydrophobicContact CB-CG2 3.55Å; V172-V174 HydrophobicContact CG1-CG2 3.79Å; V172-E185 HydrophobicContact CG2-CB 4.13Å; V172-E185 HydrophobicContact CG2-CG 3.97Å; V172-L209 PolarHBondContact N-O 2.95Å; V172-V210 HydrophobicContact CB-CG2 4.44Å; V172-V210 WeakPolarHBondContact O-CA 3.29Å; V172-N211 PolarHBondContact O-N 3.05Å |
| 173 | N | 88.5 | Confident | 82.1 | Confident | 35 Ų | 35 | 30.5 Ų | 30.5 | 19% | 0.187 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 118.1 | 175.3 | -171.9 | 47.3 | 0 | 0 | 0 | 109.8 | V134 N135 V136 L171 N211 | V134-N173 PolarHBondContact O-N 3.49Å; N135-N173 CarbonylContact C-O 3.6Å; N135-N173 WeakPolarHBondContact CA-O 3.25Å; N135-N173 PolarHBondContact OD1-ND2 2.86Å; N135-N173 PolarHBondContact OD1-O 2.59Å; V136-N173 PolarHBondContact N-O 2.83Å; L171-N173 HydrophobicContact CD1-CB 4.42Å; L171-N173 HydrophobicContact CG-CB 4.44Å; N173-N211 CarbonylContact C-O 3.57Å; N173-N211 WeakPolarHBondContact CA-O 3.42Å; N173-N211 PolarHBondContact OD1-ND2 3.17Å |
| 174 | V | 85.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 117.2 | 179.9 | -163.7 | 0 | 0 | 0 | 0 | 107.9 | V136 V143 V172 V181 N211 V212 T213 | V136-V174 HydrophobicContact CB-CG1 4.21Å; V136-V174 CarbonylContact O-C 3.59Å; V136-V174 WeakPolarHBondContact O-CA 3.17Å; V143-V174 HydrophobicContact CB-CG1 3.8Å; V143-V174 HydrophobicContact CG1-CG1 3.29Å; V172-V174 HydrophobicContact CG1-CG2 3.79Å; V174-V181 HydrophobicContact CB-CG1 3.72Å; V174-V181 HydrophobicContact CG1-CG1 3.26Å; V174-N211 PolarHBondContact N-O 3.18Å; V174-V212 HydrophobicContact CB-CG1 4.21Å; V174-V212 CarbonylContact O-C 3.58Å; V174-V212 WeakPolarHBondContact O-CA 3.37Å; V174-T213 PolarHBondContact O-N 2.86Å |
| 175 | T | 88.4 | Confident | 83.1 | Confident | 40 Ų | 40 | 30.4 Ų | 30.4 | 25% | 0.245 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 131 | -176.5 | -56.4 | 0 | 0 | 0 | 0 | 110.4 | V136 T137 D138 T213 | V136-T175 PolarHBondContact O-N 3.19Å; T137-T175 VanDerWaalsContact CA-O 3.3Å; T137-T175 WeakPolarHBondContact CA-O 3.46Å; D138-T175 PolarHBondContact N-O 3.2Å; T175-T213 VanDerWaalsContact CA-O 3.31Å; T175-T213 WeakPolarHBondContact CA-O 3.41Å |
| 176 | D | 87.4 | Confident | 84 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | trans | -127.8 | 165.2 | 164.2 | -162.1 | -1.2 | 0 | 0 | 0 | 109.2 | D138 Q140 G141 V143 Q178 G179 V181 T213 D214 | D138-D176 WeakPolarHBondContact O-CA 3.41Å; Q140-D176 PolarHBondContact N-OD1 2.97Å; G141-D176 PolarHBondContact N-OD2 3.05Å; V143-D176 HydrophobicContact CG2-CB 3.72Å; D176-Q178 PolarHBondContact OD1-N 3.12Å; D176-G179 WeakPolarHBondContact OD2-CA 3.33Å; D176-V181 HydrophobicContact CB-CG2 3.29Å; D176-T213 PolarHBondContact N-O 2.86Å; D176-D214 WeakPolarHBondContact O-CA 3.46Å | ||
| 177 | K | 85.9 | Confident | 85.1 | Confident | 91 Ų | 91 | 34.4 Ų | 34.4 | 40% | 0.396 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -98.5 | -32.7 | 166.7 | -51 | 177.1 | 178.6 | 179.8 | 0 | 111.7 | K139 K215 Q216 | K139-K177 HydrophobicContact CB-CD 4.18Å; K139-K177 HydrophobicContact CG-CD 4.43Å; K139-K177 VanDerWaalsContact O-CB 3.25Å; K139-K177 WeakPolarHBondContact O-CB 3.49Å; K177-K215 HydrophobicContact CB-CD 4.12Å; K177-K215 HydrophobicContact CG-CD 4.42Å; K177-K215 VanDerWaalsContact O-CB 3.25Å; K177-K215 WeakPolarHBondContact O-CB 3.21Å; K177-Q216 PolarHBondContact O-N 2.85Å |
| 178 | Q | 83.6 | Confident | 85.9 | Confident | 82 Ų | 82 | 36.4 Ų | 36.4 | 38% | 0.383 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -154 | 108.8 | -178.3 | -64.5 | -178.6 | -41.8 | 0 | 0 | 110.1 | K139 Q140 G141 D176 D214 Q216 | K139-Q178 PolarHBondContact O-N 3.13Å; Q140-Q178 WeakPolarHBondContact CA-O 3.35Å; Q140-Q178 HydrophobicContact CG-CB 4.39Å; G141-Q178 PolarHBondContact N-O 3.02Å; G141-Q178 VanDerWaalsContact N-O 3.11Å; D176-Q178 PolarHBondContact OD1-N 3.12Å; Q178-D214 PolarHBondContact N-OD1 2.89Å; Q178-Q216 WeakPolarHBondContact CA-O 3.3Å; Q178-Q216 HydrophobicContact CG-CB 4.43Å |
| 179 | G | 85.9 | Confident | 86.3 | Confident | 20 Ų | 20 | 36.3 Ų | 36.3 | 21% | 0.206 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.4 | -137.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | G141 D176 D214 Q216 G217 V218 | G141-G179 CarbonylContact O-C 3.59Å; G141-G179 WeakPolarHBondContact O-CA 3.36Å; D176-G179 WeakPolarHBondContact OD2-CA 3.33Å; G179-D214 PolarHBondContact N-OD2 2.96Å; G179-Q216 PolarHBondContact N-O 3.17Å; G179-Q216 VanDerWaalsContact N-O 3.12Å; G179-G217 CarbonylContact O-C 3.58Å; G179-G217 WeakPolarHBondContact O-CA 3.38Å; G179-V218 PolarHBondContact O-N 2.89Å |
| 180 | V | 86.7 | Confident | 86.6 | Confident | 55 Ų | 55 | 35 Ų | 35 | 33% | 0.333 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 117.9 | 176.5 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | G141 V142 V143 V182 V218 | G141-V180 PolarHBondContact O-N 2.88Å; V142-V180 CarbonylContact C-O 3.58Å; V142-V180 WeakPolarHBondContact CA-O 3.49Å; V142-V180 HydrophobicContact CG1-CB 4.34Å; V142-V180 HydrophobicContact CG2-CB 4.32Å; V143-V180 PolarHBondContact N-O 2.58Å; V180-V182 HydrophobicContact CG1-CG2 4.16Å; V180-V218 CarbonylContact C-O 3.6Å; V180-V218 WeakPolarHBondContact CA-O 3.3Å; V180-V218 HydrophobicContact CG1-CB 4.36Å; V180-V218 HydrophobicContact CG2-CB 4.33Å |
| 181 | V | 86.2 | Confident | 86.8 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 121.9 | -174.9 | -162.9 | 0 | 0 | 0 | 0 | 109.5 | V143 V174 D176 V212 D214 V218 V219 V220 | V143-V181 HydrophobicContact CB-CG1 4.28Å; V143-V181 CarbonylContact O-C 3.56Å; V143-V181 WeakPolarHBondContact O-CA 3.42Å; V174-V181 HydrophobicContact CB-CG1 3.72Å; V174-V181 HydrophobicContact CG1-CG1 3.26Å; D176-V181 HydrophobicContact CB-CG2 3.29Å; V181-V212 HydrophobicContact CB-CG1 3.78Å; V181-V212 HydrophobicContact CG1-CG1 3.28Å; V181-D214 HydrophobicContact CG2-CB 3.71Å; V181-V218 PolarHBondContact N-O 2.91Å; V181-V219 HydrophobicContact CB-CG1 4.26Å; V181-V219 CarbonylContact O-C 3.58Å; V181-V219 WeakPolarHBondContact O-CA 3.24Å; V181-V220 PolarHBondContact O-N 2.94Å |
| 182 | V | 87.6 | Confident | 86.8 | Confident | 27 Ų | 27 | 37 Ų | 37 | 16% | 0.164 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 106.3 | -178.7 | -175.5 | 0 | 0 | 0 | 0 | 109.8 | V143 V144 G145 V180 Q184 V220 | V143-V182 PolarHBondContact O-N 3.03Å; V144-V182 CarbonylContact C-O 3.58Å; V144-V182 WeakPolarHBondContact CA-O 3.37Å; V144-V182 HydrophobicContact CG1-CB 4.41Å; V144-V182 HydrophobicContact CG2-CB 4.33Å; G145-V182 PolarHBondContact N-O 2.95Å; V180-V182 HydrophobicContact CG1-CG2 4.16Å; V182-Q184 HydrophobicContact CG1-CG 3.94Å; V182-V220 CarbonylContact C-O 3.58Å; V182-V220 WeakPolarHBondContact CA-O 2.63Å; V182-V220 HydrophobicContact CG1-CB 4.44Å; V182-V220 HydrophobicContact CG2-CB 4.34Å |
| 183 | G | 87.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 126.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G145 V220 G221 Q222 | G145-G183 CarbonylContact O-C 3.6Å; G145-G183 WeakPolarHBondContact O-CA 3.46Å; G183-V220 PolarHBondContact N-O 2.96Å; G183-G221 CarbonylContact O-C 3.57Å; G183-G221 WeakPolarHBondContact O-CA 3.38Å; G183-Q222 PolarHBondContact O-N 3.15Å |
| 184 | Q | 88.6 | Confident | 86.6 | Confident | 52 Ų | 52 | 37.3 Ų | 37.3 | 24% | 0.243 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 128.2 | 174.3 | -58.5 | -172.4 | -0.5 | 0 | 0 | 112.9 | G145 Q146 E147 V182 Q222 | G145-Q184 PolarHBondContact O-N 2.86Å; Q146-Q184 CarbonylContact C-O 3.6Å; Q146-Q184 VanDerWaalsContact CA-O 3.23Å; Q146-Q184 WeakPolarHBondContact CA-O 3.4Å; Q146-Q184 HydrophobicContact CG-CB 4.22Å; E147-Q184 PolarHBondContact N-O 2.87Å; V182-Q184 HydrophobicContact CG1-CG 3.94Å; Q184-Q222 CarbonylContact C-O 3.56Å; Q184-Q222 VanDerWaalsContact CA-O 3.25Å; Q184-Q222 WeakPolarHBondContact CA-O 3.12Å; Q184-Q222 HydrophobicContact CG-CB 4.22Å |
| 185 | E | 88.5 | Confident | 86.4 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.009 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 139.9 | 174.4 | -156.7 | -118.1 | 105.4 | 0 | 0 | 110.5 | E147 V172 V210 Q222 E223 K224 | E147-E185 HydrophobicContact CB-CG 4.05Å; E147-E185 WeakPolarHBondContact OE2-CG 2.87Å; V172-E185 HydrophobicContact CG2-CB 4.13Å; V172-E185 HydrophobicContact CG2-CG 3.97Å; E185-V210 HydrophobicContact CB-CG2 3.47Å; E185-V210 VanDerWaalsContact CB-CG2 3.47Å; E185-V210 HydrophobicContact CG-CG2 4.4Å; E185-Q222 PolarHBondContact N-O 3.01Å; E185-E223 HydrophobicContact CB-CG 4.08Å; E185-E223 WeakPolarHBondContact O-CA 2.73Å; E185-K224 PolarHBondContact O-N 2.96Å |
| 186 | K | 89.8 | Confident | 86 | Confident | 119 Ų | 119 | 36.3 Ų | 36.3 | 52% | 0.517 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 99.3 | -174.5 | -173.8 | -177.7 | -176.2 | 170.1 | 0 | 111.7 | E147 K148 R149 K224 | E147-K186 PolarHBondContact O-N 2.93Å; K148-K186 HydrophobicContact CG-CB 4.22Å; R149-K186 PolarHBondContact N-O 2.92Å; K186-K224 HydrophobicContact CB-CB 4.42Å; K186-K224 HydrophobicContact CG-CB 4.11Å |
| 187 | R | 87.7 | Confident | 85.4 | Confident | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.011 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 140.1 | -179.8 | -160.5 | 175.6 | -174.7 | -125 | -13.9 | 115.6 | R149 E168 E170 E206 E208 K224 R225 R226 | R149-R187 HydrophobicContact CB-CG 4.41Å; R149-R187 VanDerWaalsContact NH1-NH2 3.17Å; R149-R187 VanDerWaalsContact NH2-NH2 3.19Å; E168-R187 IonicContact OE2-CZ 2.57Å; E168-R187 IonicContact OE2-NH2 3.75Å; E168-R187 PolarHBondContact OE2-NH2 3.23Å; E170-R187 WeakPolarHBondContact OE2-CD 3.42Å; E170-R187 IonicContact OE2-CZ 2.58Å; E170-R187 IonicContact OE2-NE 3.55Å; E170-R187 PolarHBondContact OE2-NE 3.45Å; R187-E206 IonicContact CZ-OE1 3.71Å; R187-E206 IonicContact CZ-OE2 2.83Å; R187-E206 IonicContact NH1-OE1 3.97Å; R187-E206 IonicContact NH1-OE2 2.63Å; R187-E206 PolarHBondContact NH1-OE2 2.85Å; R187-E206 IonicContact NH2-OE1 3.2Å; R187-E206 PolarHBondContact NH2-OE1 3.26Å; R187-E206 IonicContact NH2-OE2 3.43Å; R187-E206 PolarHBondContact NH2-OE2 2.58Å; R187-E206 VanDerWaalsContact NH2-OE2 3.14Å; R187-E208 WeakPolarHBondContact CD-OE1 3.29Å; R187-E208 WeakPolarHBondContact CD-OE2 3.35Å; R187-E208 IonicContact CZ-OE1 2.97Å; R187-E208 IonicContact NE-OE1 3.92Å; R187-E208 IonicContact NH1-OE1 2.6Å; R187-E208 PolarHBondContact NH1-OE1 3.05Å; R187-K224 PolarHBondContact N-O 2.9Å; R187-R225 HydrophobicContact CB-CG 4.28Å; R187-R226 PolarHBondContact O-N 2.86Å |
| 188 | R | 87 | Confident | 85 | Confident | 68 Ų | 68 | 38.8 Ų | 38.8 | 26% | 0.257 | 19% | 0.193 | S | C | . | . | trans | -137.3 | 97.4 | 172.1 | -173.8 | -177 | 172 | -178.1 | 1 | 113.1 | R149 R150 R151 R190 R226 | R149-R188 PolarHBondContact O-N 3.07Å; R150-R188 WeakPolarHBondContact CA-O 3.35Å; R150-R188 HydrophobicContact CG-CB 4.48Å; R151-R188 PolarHBondContact N-O 3.47Å; R188-R190 VanDerWaalsContact NH2-CZ 3.33Å; R188-R226 WeakPolarHBondContact CA-O 3.5Å; R188-R226 HydrophobicContact CG-CB 4.45Å | ||
| 189 | R | 86.2 | Confident | 84.6 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | trans | -94.2 | 136.4 | 175.4 | -156.3 | 176.4 | -168.3 | -158.5 | 7.7 | 113.1 | E168 E206 R226 R227 R228 | E168-R189 IonicContact OE1-CZ 3.73Å; E168-R189 IonicContact OE1-NE 3Å; E168-R189 IonicContact OE1-NH2 2.63Å; E168-R189 PolarHBondContact OE1-NH2 2.58Å; R189-E206 IonicContact CZ-OE1 2.71Å; R189-E206 IonicContact CZ-OE2 3.03Å; R189-E206 IonicContact NE-OE1 3.94Å; R189-E206 PolarHBondContact NE-OE1 2.72Å; R189-E206 IonicContact NH1-OE1 2.94Å; R189-E206 PolarHBondContact NH1-OE1 3.42Å; R189-E206 IonicContact NH1-OE2 2.59Å; R189-E206 PolarHBondContact NH1-OE2 2.7Å; R189-E206 VanDerWaalsContact NH1-OE2 3.08Å; R189-E206 IonicContact NH2-OE1 2.7Å; R189-E206 PolarHBondContact NH2-OE1 2.79Å; R189-E206 VanDerWaalsContact NH2-OE1 3.11Å; R189-R226 PolarHBondContact N-O 2.86Å; R189-R226 VanDerWaalsContact N-O 3.17Å; R189-R227 HydrophobicContact CB-CG 4.39Å; R189-R228 PolarHBondContact O-N 3.38Å | ||
| 190 | R | 86.3 | Confident | 84.3 | Confident | 69 Ų | 69 | 38 Ų | 38 | 26% | 0.26 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 115.5 | 165.7 | -62.5 | -173.2 | 170.3 | -174.4 | -7.2 | 110.1 | R151 R152 R153 R188 R228 | R151-R190 PolarHBondContact O-N 2.98Å; R152-R190 CarbonylContact C-O 3.56Å; R152-R190 VanDerWaalsContact CA-O 3.3Å; R152-R190 WeakPolarHBondContact CA-O 2.95Å; R152-R190 HydrophobicContact CG-CB 4.25Å; R153-R190 PolarHBondContact N-O 2.92Å; R188-R190 VanDerWaalsContact NH2-CZ 3.33Å; R190-R228 CarbonylContact C-O 3.6Å; R190-R228 VanDerWaalsContact CA-O 3.31Å; R190-R228 WeakPolarHBondContact CA-O 3.49Å; R190-R228 HydrophobicContact CG-CB 4.27Å |
| 191 | R | 85.6 | Confident | 84 | Confident | 9 Ų | 9 | 35.4 Ų | 35.4 | 3% | 0.034 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 130 | 176.4 | -170.5 | 171.8 | 176.7 | -130.6 | -7.9 | 109.9 | R153 T193 S201 T203 R228 R229 R230 | R153-R191 HydrophobicContact CB-CG 4.49Å; R153-R191 CarbonylContact O-C 3.57Å; R153-R191 WeakPolarHBondContact O-CA 3.37Å; R191-T193 PolarHBondContact NE-OG1 2.84Å; R191-T193 PolarHBondContact NH2-OG1 2.95Å; R191-S201 PolarHBondContact NH2-OG 2.67Å; R191-T203 PolarHBondContact NH1-OG1 3.07Å; R191-T203 VanDerWaalsContact NH2-CG2 3.29Å; R191-R228 PolarHBondContact N-O 3.37Å; R191-R229 CarbonylContact O-C 3.56Å; R191-R229 WeakPolarHBondContact O-CA 3.37Å; R191-R230 PolarHBondContact O-N 2.87Å |
| 192 | R | 86.4 | Confident | 83.6 | Confident | 94 Ų | 94 | 37.9 Ų | 37.9 | 36% | 0.355 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 116.2 | 165.9 | -177.2 | 178.4 | 179.1 | -174 | -1 | 107.6 | R153 R154 T155 R230 | R153-R192 PolarHBondContact O-N 2.85Å; R154-R192 CarbonylContact C-O 3.56Å; R154-R192 VanDerWaalsContact CA-O 3.3Å; R154-R192 WeakPolarHBondContact CA-O 3.24Å; R154-R192 HydrophobicContact CG-CB 4.48Å; T155-R192 PolarHBondContact N-O 3.46Å; R192-R230 CarbonylContact C-O 3.6Å; R192-R230 VanDerWaalsContact CA-O 3.28Å; R192-R230 WeakPolarHBondContact CA-O 3.3Å; R192-R230 HydrophobicContact CG-CB 4.47Å |
| 193 | T | 84 | Confident | 82.7 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 133.5 | 174.7 | -50.6 | 0 | 0 | 0 | 0 | 107.7 | T155 R191 L195 R230 T231 T232 | T155-T193 WeakPolarHBondContact O-CA 3.07Å; R191-T193 PolarHBondContact NE-OG1 2.84Å; R191-T193 PolarHBondContact NH2-OG1 2.95Å; T193-L195 HydrophobicContact CG2-CD1 4.45Å; T193-L195 HydrophobicContact CG2-CD2 3.59Å; T193-L195 HydrophobicContact CG2-CG 3.84Å; T193-R230 PolarHBondContact N-O 3.47Å; T193-T231 WeakPolarHBondContact O-CA 3.24Å; T193-T232 PolarHBondContact O-N 3.01Å |
| 194 | T | 84.8 | Confident | 81.7 | Confident | 39 Ų | 39 | 38.2 Ų | 38.2 | 24% | 0.239 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 115.7 | 168.9 | -60.7 | 0 | 0 | 0 | 0 | 106 | T155 T156 L157 T232 | T155-T194 PolarHBondContact O-N 2.84Å; T156-T194 VanDerWaalsContact CA-O 3.3Å; T156-T194 WeakPolarHBondContact CA-O 2.71Å; L157-T194 PolarHBondContact N-O 2.91Å; T194-T232 VanDerWaalsContact CA-O 3.32Å; T194-T232 WeakPolarHBondContact CA-O 3.16Å |
| 195 | L | 80.4 | Confident | 80.7 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | trans | -105.8 | 147.5 | 177.2 | -56.5 | -173.4 | 0 | 0 | 0 | 108.4 | L157 T193 G199 T232 L233 G234 | L157-L195 HydrophobicContact CB-CD2 3.8Å; L157-L195 HydrophobicContact CD1-CD2 3.57Å; L157-L195 HydrophobicContact CG-CD2 3.65Å; T193-L195 HydrophobicContact CG2-CD1 4.45Å; T193-L195 HydrophobicContact CG2-CD2 3.59Å; T193-L195 HydrophobicContact CG2-CG 3.84Å; L195-G199 VanDerWaalsContact CD1-O 3.22Å; L195-G199 WeakPolarHBondContact CD1-O 3.38Å; L195-T232 PolarHBondContact N-O 2.85Å; L195-L233 HydrophobicContact CB-CD2 3.84Å; L195-L233 HydrophobicContact CD1-CD2 3.42Å; L195-L233 VanDerWaalsContact CD1-CD2 3.42Å; L195-L233 HydrophobicContact CG-CD2 3.63Å; L195-G234 PolarHBondContact O-N 2.93Å | ||
| 196 | G | 79.6 | Confident | 80.2 | Confident | 13 Ų | 13 | 36.7 Ų | 36.7 | 13% | 0.134 | 19% | 0.185 | C | C | . | . | trans | -72.3 | -166.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L157 G158 L198 G234 | L157-G196 PolarHBondContact O-N 3.11Å; G158-G196 WeakPolarHBondContact O-CA 3.37Å; G158-G196 PolarHBondContact O-N 3.1Å; G158-G196 VanDerWaalsContact O-N 3.14Å; G196-L198 PolarHBondContact O-N 2.79Å; G196-G234 WeakPolarHBondContact O-CA 3.27Å; G196-G234 PolarHBondContact O-N 2.79Å | ||
| 197 | P | 75.4 | Confident | 79.7 | Confident | 56 Ų | 56 | 35.6 Ų | 35.6 | 36% | 0.364 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -44.1 | -173.4 | -32.5 | 34.8 | 0 | 0 | 0 | 117.7 | P159 L236 G237 | P159-P197 HydrophobicContact CB-CG 4.43Å; P197-L236 CarbonylContact O-C 3.59Å; P197-L236 WeakPolarHBondContact O-CA 3.33Å; P197-L236 VanDerWaalsContact O-CB 3.31Å; P197-L236 WeakPolarHBondContact O-CB 3.39Å; P197-L236 PolarHBondContact O-N 2.88Å; P197-G237 PolarHBondContact O-N 3.11Å; P197-G237 VanDerWaalsContact O-N 3.17Å |
| 198 | L | 76.9 | Confident | 79.4 | Confident | 87 Ų | 87 | 35.6 Ų | 35.6 | 46% | 0.455 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | 29.9 | -173.2 | -68.9 | 161.9 | 0 | 0 | 0 | 110.7 | P159 L160 G196 L236 | P159-L198 CarbonylContact O-C 3.4Å; P159-L198 WeakPolarHBondContact O-CA 3.47Å; P159-L198 VanDerWaalsContact O-CB 3.31Å; P159-L198 WeakPolarHBondContact O-CB 3.05Å; P159-L198 PolarHBondContact O-N 3.17Å; L160-L198 HydrophobicContact CD2-CB 3.65Å; L160-L198 HydrophobicContact CD2-CD1 3.5Å; L160-L198 HydrophobicContact CD2-CG 4.21Å; L160-L198 HydrophobicContact CG-CB 4.47Å; L160-L198 HydrophobicContact CG-CD1 4.35Å; G196-L198 PolarHBondContact O-N 2.79Å; L198-L236 HydrophobicContact CD2-CB 3.65Å; L198-L236 HydrophobicContact CD2-CD1 3.46Å; L198-L236 VanDerWaalsContact CD2-CD1 3.46Å; L198-L236 HydrophobicContact CD2-CG 4.18Å; L198-L236 HydrophobicContact CG-CB 4.44Å; L198-L236 HydrophobicContact CG-CD1 4.34Å |
| 199 | G | 75.6 | Confident | 79.3 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -88.9 | 134.2 | -176 | 0 | 0 | 0 | 0 | 0 | 111.9 | P159 G161 L195 G237 E238 | P159-G199 PolarHBondContact O-N 2.83Å; G161-G199 WeakPolarHBondContact O-CA 3.16Å; L195-G199 VanDerWaalsContact CD1-O 3.22Å; L195-G199 WeakPolarHBondContact CD1-O 3.38Å; G199-G237 WeakPolarHBondContact O-CA 2.97Å; G199-E238 PolarHBondContact O-N 3.24Å | ||
| 200 | E | 80.3 | Confident | 79.2 | Confident | 85 Ų | 85 | 34.6 Ų | 34.6 | 40% | 0.397 | 18% | 0.182 | S | C | . | . | B | Isolated β-bridge | trans | -102.8 | 146.2 | 174.5 | -62.2 | -172.1 | -168.7 | 0 | 0 | 111.5 | G161 E162 S163 E238 | G161-E200 PolarHBondContact O-N 3.18Å; E162-E200 WeakPolarHBondContact CA-O 3.39Å; E162-E200 HydrophobicContact CG-CB 4.37Å; S163-E200 PolarHBondContact N-O 2.8Å; E200-E238 HydrophobicContact CG-CB 4.36Å |
| 201 | S | 79.6 | Confident | 79.3 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | trans | -146.2 | 111.9 | 167.6 | -175.4 | 0 | 0 | 0 | 0 | 113.8 | S163 R191 E238 S239 T240 | S163-S201 WeakPolarHBondContact O-CA 3.32Å; S163-S201 PolarHBondContact O-OG 2.85Å; R191-S201 PolarHBondContact NH2-OG 2.67Å; S201-E238 PolarHBondContact N-O 2.71Å; S201-S239 WeakPolarHBondContact O-CA 2.97Å; S201-S239 PolarHBondContact O-OG 2.68Å; S201-T240 PolarHBondContact O-N 2.62Å; S201-T240 VanDerWaalsContact O-O 3.1Å | ||
| 202 | T | 77.3 | Confident | 79.3 | Confident | 52 Ų | 52 | 32.5 Ų | 32.5 | 32% | 0.319 | 18% | 0.177 | S | C | . | . | trans | -93.8 | 130.4 | 169.7 | -53.7 | 0 | 0 | 0 | 0 | 110.1 | S163 T164 T165 T240 | S163-T202 PolarHBondContact O-N 2.78Å; S163-T202 VanDerWaalsContact O-O 3.04Å; T164-T202 WeakPolarHBondContact CA-O 3.46Å; T165-T202 PolarHBondContact N-O 2.64Å; T165-T202 VanDerWaalsContact N-O 3.09Å; T202-T240 VanDerWaalsContact CA-O 3.28Å; T202-T240 WeakPolarHBondContact CA-O 3.07Å | ||
| 203 | T | 69.7 | Low | 79.4 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -135.6 | 112 | 163.9 | 61.9 | 0 | 0 | 0 | 0 | 110.9 | T165 R191 T240 T241 P242 | T165-T203 HydrophobicContact CG2-CG2 3.98Å; T165-T203 WeakPolarHBondContact OG1-CB 3.45Å; T165-T203 WeakPolarHBondContact OG1-CG2 2.93Å; R191-T203 PolarHBondContact NH1-OG1 3.07Å; R191-T203 VanDerWaalsContact NH2-CG2 3.29Å; T203-T240 PolarHBondContact N-O 2.81Å; T203-T241 CarbonylContact O-C 3.56Å; T203-T241 WeakPolarHBondContact O-CA 3.45Å; T203-T241 WeakPolarHBondContact O-CB 3.31Å; T203-T241 WeakPolarHBondContact OG1-CB 3.46Å; T203-T241 WeakPolarHBondContact OG1-CG2 3.47Å; T203-P242 WeakPolarHBondContact O-CD 3.37Å | ||
| 204 | P | 65.1 | Low | 79.6 | Confident | 35 Ų | 35 | 29.9 Ų | 29.9 | 23% | 0.227 | 17% | 0.171 | C | C | . | . | trans | -77.1 | -171.8 | -172.5 | 35.4 | -34.6 | 0 | 0 | 0 | 111.7 | T165 P166 P242 | T165-P204 WeakPolarHBondContact O-CD 3.39Å; T165-P204 VanDerWaalsContact O-CG 3.23Å; T165-P204 WeakPolarHBondContact O-CG 3.47Å; P166-P204 HydrophobicContact CB-CG 4.42Å; P204-P242 VanDerWaalsContact CA-CG 3.45Å; P204-P242 HydrophobicContact CB-CB 4.22Å; P204-P242 HydrophobicContact CB-CG 3.89Å | ||
| 205 | G | 68.1 | Low | 79.6 | Confident | 21 Ų | 21 | 32.2 Ų | 32.2 | 22% | 0.216 | 18% | 0.178 | C | C | . | . | trans | -68.8 | 165.6 | -162.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G167 E168 G243 | G167-G205 WeakPolarHBondContact CA-O 3.11Å; E168-G205 PolarHBondContact N-O 2.85Å; G205-G243 WeakPolarHBondContact CA-O 3.31Å | ||
| 206 | E | 77.6 | Confident | 79.8 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 127.7 | 174.7 | -53.5 | -170.3 | 130.9 | 0 | 0 | 104.9 | E168 R187 R189 R225 G243 E244 E245 | E168-E206 HydrophobicContact CB-CG 4.39Å; E168-E206 VanDerWaalsContact O-CA 3.3Å; E168-E206 WeakPolarHBondContact O-CA 3.28Å; E168-E206 VanDerWaalsContact OE2-OE1 3.12Å; R187-E206 IonicContact CZ-OE1 3.71Å; R187-E206 IonicContact CZ-OE2 2.83Å; R187-E206 IonicContact NH1-OE1 3.97Å; R187-E206 IonicContact NH1-OE2 2.63Å; R187-E206 PolarHBondContact NH1-OE2 2.85Å; R187-E206 IonicContact NH2-OE1 3.2Å; R187-E206 PolarHBondContact NH2-OE1 3.26Å; R187-E206 IonicContact NH2-OE2 3.43Å; R187-E206 PolarHBondContact NH2-OE2 2.58Å; R187-E206 VanDerWaalsContact NH2-OE2 3.14Å; R189-E206 IonicContact CZ-OE1 2.71Å; R189-E206 IonicContact CZ-OE2 3.03Å; R189-E206 IonicContact NE-OE1 3.94Å; R189-E206 PolarHBondContact NE-OE1 2.72Å; R189-E206 IonicContact NH1-OE1 2.94Å; R189-E206 PolarHBondContact NH1-OE1 3.42Å; R189-E206 IonicContact NH1-OE2 2.59Å; R189-E206 PolarHBondContact NH1-OE2 2.7Å; R189-E206 VanDerWaalsContact NH1-OE2 3.08Å; R189-E206 IonicContact NH2-OE1 2.7Å; R189-E206 PolarHBondContact NH2-OE1 2.79Å; R189-E206 VanDerWaalsContact NH2-OE1 3.11Å; E206-R225 IonicContact OE2-CZ 3.39Å; E206-R225 IonicContact OE2-NH2 2.59Å; E206-R225 PolarHBondContact OE2-NH2 2.95Å; E206-G243 PolarHBondContact N-O 2.78Å; E206-E244 HydrophobicContact CB-CG 4.45Å; E206-E244 WeakPolarHBondContact O-CA 3.2Å; E206-E245 PolarHBondContact O-N 3.14Å |
| 207 | E | 79.3 | Confident | 80.1 | Confident | 96 Ų | 96 | 36.1 Ų | 36.1 | 45% | 0.449 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 120.1 | 177.8 | -61.6 | -176.9 | -164.6 | 0 | 0 | 106.9 | E168 E169 E170 E245 | E168-E207 PolarHBondContact O-N 3.27Å; E169-E207 CarbonylContact C-O 3.59Å; E169-E207 WeakPolarHBondContact CA-O 3.43Å; E169-E207 HydrophobicContact CG-CB 4.32Å; E170-E207 PolarHBondContact N-O 3.01Å; E207-E245 WeakPolarHBondContact CA-O 3.19Å; E207-E245 HydrophobicContact CG-CB 4.35Å |
| 208 | E | 82.8 | Confident | 80.6 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 118.2 | 178.4 | -80.6 | 161.1 | -117.2 | 0 | 0 | 106.7 | E170 R187 R225 E245 E246 L247 | E170-E208 HydrophobicContact CB-CG 4.31Å; E170-E208 HydrophobicContact CG-CG 4.38Å; E170-E208 WeakPolarHBondContact O-CA 3.42Å; R187-E208 WeakPolarHBondContact CD-OE1 3.29Å; R187-E208 WeakPolarHBondContact CD-OE2 3.35Å; R187-E208 IonicContact CZ-OE1 2.97Å; R187-E208 IonicContact NE-OE1 3.92Å; R187-E208 IonicContact NH1-OE1 2.6Å; R187-E208 PolarHBondContact NH1-OE1 3.05Å; E208-R225 WeakPolarHBondContact OE1-CD 3.44Å; E208-R225 IonicContact OE1-CZ 2.83Å; E208-R225 IonicContact OE1-NE 2.73Å; E208-R225 PolarHBondContact OE1-NE 2.91Å; E208-R225 IonicContact OE1-NH2 3.93Å; E208-R225 VanDerWaalsContact OE2-CD 3.27Å; E208-R225 WeakPolarHBondContact OE2-CD 3.24Å; E208-R225 IonicContact OE2-NE 2.91Å; E208-R225 PolarHBondContact OE2-NE 2.83Å; E208-E245 PolarHBondContact N-O 3.02Å; E208-E246 HydrophobicContact CB-CG 4.12Å; E208-E246 WeakPolarHBondContact O-CA 3.26Å; E208-L247 PolarHBondContact O-N 3.14Å |
| 209 | L | 84.9 | Confident | 81 | Confident | 58 Ų | 58 | 32 Ų | 32 | 30% | 0.304 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 120.8 | -179.1 | 175.6 | 58.1 | 0 | 0 | 0 | 110.5 | E170 L171 V172 N211 L247 | E170-L209 PolarHBondContact O-N 2.6Å; L171-L209 CarbonylContact C-O 3.6Å; L171-L209 WeakPolarHBondContact CA-O 3.49Å; L171-L209 HydrophobicContact CD1-CB 3.76Å; L171-L209 HydrophobicContact CD1-CD2 3.6Å; L171-L209 HydrophobicContact CD1-CG 3.47Å; L171-L209 VanDerWaalsContact CD1-CG 3.47Å; L171-L209 WeakPolarHBondContact CD1-O 3.38Å; V172-L209 PolarHBondContact N-O 2.95Å; L209-N211 HydrophobicContact CD1-CB 4.49Å; L209-N211 HydrophobicContact CG-CB 4.48Å; L209-L247 CarbonylContact C-O 3.55Å; L209-L247 WeakPolarHBondContact CA-O 3.15Å; L209-L247 HydrophobicContact CD1-CB 3.75Å; L209-L247 HydrophobicContact CD1-CD2 3.6Å; L209-L247 HydrophobicContact CD1-CG 3.46Å; L209-L247 VanDerWaalsContact CD1-CG 3.46Å; L209-L247 WeakPolarHBondContact CD1-O 3.33Å |
| 210 | V | 84.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 103.7 | 167.2 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | V172 E185 V212 E223 L247 V248 N249 | V172-V210 HydrophobicContact CB-CG2 4.44Å; V172-V210 WeakPolarHBondContact O-CA 3.29Å; E185-V210 HydrophobicContact CB-CG2 3.47Å; E185-V210 VanDerWaalsContact CB-CG2 3.47Å; E185-V210 HydrophobicContact CG-CG2 4.4Å; V210-V212 HydrophobicContact CG1-CG2 3.77Å; V210-E223 HydrophobicContact CG2-CB 4.21Å; V210-E223 HydrophobicContact CG2-CG 4.06Å; V210-L247 PolarHBondContact N-O 2.83Å; V210-V248 HydrophobicContact CB-CG1 4.49Å; V210-V248 HydrophobicContact CB-CG2 4.41Å; V210-V248 WeakPolarHBondContact O-CA 3.13Å; V210-N249 PolarHBondContact O-N 2.86Å |
| 211 | N | 88.3 | Confident | 81.9 | Confident | 34 Ų | 34 | 29.2 Ų | 29.2 | 18% | 0.182 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 117.7 | 175.4 | -171.2 | 47.8 | 0 | 0 | 0 | 109.7 | V172 N173 V174 L209 N249 | V172-N211 PolarHBondContact O-N 3.05Å; N173-N211 CarbonylContact C-O 3.57Å; N173-N211 WeakPolarHBondContact CA-O 3.42Å; N173-N211 PolarHBondContact OD1-ND2 3.17Å; V174-N211 PolarHBondContact N-O 3.18Å; L209-N211 HydrophobicContact CD1-CB 4.49Å; L209-N211 HydrophobicContact CG-CB 4.48Å; N211-N249 CarbonylContact C-O 3.56Å; N211-N249 WeakPolarHBondContact CA-O 3.41Å; N211-N249 PolarHBondContact OD1-ND2 3.03Å |
| 212 | V | 85.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 115.3 | -179.8 | -163 | 0 | 0 | 0 | 0 | 107.5 | V174 V181 V210 V219 N249 V250 T251 | V174-V212 HydrophobicContact CB-CG1 4.21Å; V174-V212 CarbonylContact O-C 3.58Å; V174-V212 WeakPolarHBondContact O-CA 3.37Å; V181-V212 HydrophobicContact CB-CG1 3.78Å; V181-V212 HydrophobicContact CG1-CG1 3.28Å; V210-V212 HydrophobicContact CG1-CG2 3.77Å; V212-V219 HydrophobicContact CB-CG1 3.7Å; V212-V219 HydrophobicContact CG1-CG1 3.26Å; V212-N249 PolarHBondContact N-O 3.1Å; V212-V250 HydrophobicContact CB-CG1 4.21Å; V212-V250 CarbonylContact O-C 3.57Å; V212-V250 WeakPolarHBondContact O-CA 3.23Å; V212-T251 PolarHBondContact O-N 3.46Å |
| 213 | T | 88.5 | Confident | 82.9 | Confident | 39 Ų | 39 | 28.3 Ų | 28.3 | 24% | 0.239 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 129.7 | -176.7 | -56.3 | 0 | 0 | 0 | 0 | 110.1 | V174 T175 D176 T251 | V174-T213 PolarHBondContact O-N 2.86Å; T175-T213 VanDerWaalsContact CA-O 3.31Å; T175-T213 WeakPolarHBondContact CA-O 3.41Å; D176-T213 PolarHBondContact N-O 2.86Å; T213-T251 VanDerWaalsContact CA-O 3.32Å; T213-T251 WeakPolarHBondContact CA-O 3.29Å |
| 214 | D | 87.5 | Confident | 83.8 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | trans | -126.3 | 164.3 | 163.5 | -162.6 | 0.2 | 0 | 0 | 0 | 108.9 | D176 Q178 G179 V181 Q216 G217 V219 T251 D252 | D176-D214 WeakPolarHBondContact O-CA 3.46Å; Q178-D214 PolarHBondContact N-OD1 2.89Å; G179-D214 PolarHBondContact N-OD2 2.96Å; V181-D214 HydrophobicContact CG2-CB 3.71Å; D214-Q216 PolarHBondContact OD1-N 2.99Å; D214-Q216 VanDerWaalsContact OD2-C 3.31Å; D214-G217 WeakPolarHBondContact OD2-CA 3.3Å; D214-G217 PolarHBondContact OD2-N 3.29Å; D214-V219 HydrophobicContact CB-CG2 3.3Å; D214-T251 PolarHBondContact N-O 3.28Å; D214-D252 WeakPolarHBondContact O-CA 3.3Å | ||
| 215 | K | 85.9 | Confident | 84.9 | Confident | 88 Ų | 88 | 30.3 Ų | 30.3 | 38% | 0.383 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -97.5 | -32.1 | 166.3 | -51 | 177.6 | 179.9 | 179.3 | 0 | 111.6 | K177 K253 Q254 | K177-K215 HydrophobicContact CB-CD 4.12Å; K177-K215 HydrophobicContact CG-CD 4.42Å; K177-K215 VanDerWaalsContact O-CB 3.25Å; K177-K215 WeakPolarHBondContact O-CB 3.21Å; K215-K253 HydrophobicContact CB-CD 4.11Å; K215-K253 HydrophobicContact CB-CG 4.49Å; K215-K253 HydrophobicContact CG-CD 4.4Å; K215-K253 VanDerWaalsContact O-CB 3.24Å; K215-K253 WeakPolarHBondContact O-CB 3.4Å; K215-K253 PolarHBondContact O-N 3.1Å; K215-Q254 PolarHBondContact O-N 3.17Å |
| 216 | Q | 83.2 | Confident | 85.8 | Confident | 81 Ų | 81 | 32.5 Ų | 32.5 | 38% | 0.379 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -154 | 108.8 | -177.8 | -64.5 | -178.6 | -38.5 | 0 | 0 | 110.3 | K177 Q178 G179 D214 D252 Q254 | K177-Q216 PolarHBondContact O-N 2.85Å; Q178-Q216 WeakPolarHBondContact CA-O 3.3Å; Q178-Q216 HydrophobicContact CG-CB 4.43Å; G179-Q216 PolarHBondContact N-O 3.17Å; G179-Q216 VanDerWaalsContact N-O 3.12Å; D214-Q216 PolarHBondContact OD1-N 2.99Å; D214-Q216 VanDerWaalsContact OD2-C 3.31Å; Q216-D252 PolarHBondContact N-OD1 2.7Å; Q216-Q254 WeakPolarHBondContact CA-O 3.34Å; Q216-Q254 HydrophobicContact CG-CB 4.41Å |
| 217 | G | 85.8 | Confident | 86.2 | Confident | 21 Ų | 21 | 32.9 Ų | 32.9 | 22% | 0.216 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.5 | -134 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | G179 D214 D252 Q254 G255 V256 | G179-G217 CarbonylContact O-C 3.58Å; G179-G217 WeakPolarHBondContact O-CA 3.38Å; D214-G217 WeakPolarHBondContact OD2-CA 3.3Å; D214-G217 PolarHBondContact OD2-N 3.29Å; G217-D252 PolarHBondContact N-OD2 3.29Å; G217-Q254 PolarHBondContact N-O 2.92Å; G217-Q254 VanDerWaalsContact N-O 3.12Å; G217-G255 CarbonylContact O-C 3.56Å; G217-G255 WeakPolarHBondContact O-CA 3.37Å; G217-V256 PolarHBondContact O-N 3.27Å |
| 218 | V | 86.2 | Confident | 86.5 | Confident | 56 Ų | 56 | 31.6 Ų | 31.6 | 34% | 0.339 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 118.4 | 177.8 | -179.3 | 0 | 0 | 0 | 0 | 109 | G179 V180 V181 V220 V256 | G179-V218 PolarHBondContact O-N 2.89Å; V180-V218 CarbonylContact C-O 3.6Å; V180-V218 WeakPolarHBondContact CA-O 3.3Å; V180-V218 HydrophobicContact CG1-CB 4.36Å; V180-V218 HydrophobicContact CG2-CB 4.33Å; V181-V218 PolarHBondContact N-O 2.91Å; V218-V220 HydrophobicContact CG1-CG2 4.16Å; V218-V256 CarbonylContact C-O 3.56Å; V218-V256 WeakPolarHBondContact CA-O 2.85Å; V218-V256 HydrophobicContact CG1-CB 4.38Å; V218-V256 HydrophobicContact CG2-CB 4.34Å |
| 219 | V | 86 | Confident | 86.7 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 122.1 | -174.6 | -162.2 | 0 | 0 | 0 | 0 | 109.4 | V181 V212 D214 V250 D252 V256 V257 V258 | V181-V219 HydrophobicContact CB-CG1 4.26Å; V181-V219 CarbonylContact O-C 3.58Å; V181-V219 WeakPolarHBondContact O-CA 3.24Å; V212-V219 HydrophobicContact CB-CG1 3.7Å; V212-V219 HydrophobicContact CG1-CG1 3.26Å; D214-V219 HydrophobicContact CB-CG2 3.3Å; V219-V250 HydrophobicContact CB-CG1 3.75Å; V219-V250 HydrophobicContact CG1-CG1 3.27Å; V219-D252 HydrophobicContact CG2-CB 3.72Å; V219-V256 PolarHBondContact N-O 2.91Å; V219-V257 HydrophobicContact CB-CG1 4.24Å; V219-V257 CarbonylContact O-C 3.58Å; V219-V257 WeakPolarHBondContact O-CA 3.43Å; V219-V258 PolarHBondContact O-N 2.92Å |
| 220 | V | 87.1 | Confident | 86.7 | Confident | 27 Ų | 27 | 33.7 Ų | 33.7 | 16% | 0.164 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 107.3 | -178.7 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | V181 V182 G183 V218 Q222 V258 | V181-V220 PolarHBondContact O-N 2.94Å; V182-V220 CarbonylContact C-O 3.58Å; V182-V220 WeakPolarHBondContact CA-O 2.63Å; V182-V220 HydrophobicContact CG1-CB 4.44Å; V182-V220 HydrophobicContact CG2-CB 4.34Å; G183-V220 PolarHBondContact N-O 2.96Å; V218-V220 HydrophobicContact CG1-CG2 4.16Å; V220-Q222 HydrophobicContact CG1-CG 3.94Å; V220-V258 CarbonylContact C-O 3.58Å; V220-V258 WeakPolarHBondContact CA-O 3.08Å; V220-V258 HydrophobicContact CG1-CB 4.43Å; V220-V258 HydrophobicContact CG2-CB 4.33Å |
| 221 | G | 87.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G183 V258 G259 Q260 | G183-G221 CarbonylContact O-C 3.57Å; G183-G221 WeakPolarHBondContact O-CA 3.38Å; G221-V258 PolarHBondContact N-O 2.94Å; G221-G259 CarbonylContact O-C 3.58Å; G221-G259 WeakPolarHBondContact O-CA 3.15Å; G221-Q260 PolarHBondContact O-N 2.86Å |
| 222 | Q | 88.6 | Confident | 86.6 | Confident | 32 Ų | 32 | 34 Ų | 34 | 15% | 0.15 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 130.7 | 173.9 | -55.9 | -169.9 | -1.3 | 0 | 0 | 113.2 | G183 Q184 E185 V220 Q260 | G183-Q222 PolarHBondContact O-N 3.15Å; Q184-Q222 CarbonylContact C-O 3.56Å; Q184-Q222 VanDerWaalsContact CA-O 3.25Å; Q184-Q222 WeakPolarHBondContact CA-O 3.12Å; Q184-Q222 HydrophobicContact CG-CB 4.22Å; E185-Q222 PolarHBondContact N-O 3.01Å; V220-Q222 HydrophobicContact CG1-CG 3.94Å; Q222-Q260 CarbonylContact C-O 3.58Å; Q222-Q260 VanDerWaalsContact CA-O 3.23Å; Q222-Q260 WeakPolarHBondContact CA-O 3.01Å; Q222-Q260 HydrophobicContact CG-CB 4.19Å |
| 223 | E | 88.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 136 | 175.1 | -156.9 | -127.3 | 107.2 | 0 | 0 | 110.9 | E185 V210 V248 Q260 E261 K262 | E185-E223 HydrophobicContact CB-CG 4.08Å; E185-E223 WeakPolarHBondContact O-CA 2.73Å; V210-E223 HydrophobicContact CG2-CB 4.21Å; V210-E223 HydrophobicContact CG2-CG 4.06Å; E223-V248 HydrophobicContact CB-CG2 3.49Å; E223-V248 VanDerWaalsContact CB-CG2 3.49Å; E223-V248 HydrophobicContact CG-CG2 4.41Å; E223-Q260 PolarHBondContact N-O 2.9Å; E223-E261 HydrophobicContact CB-CG 4.05Å; E223-K262 PolarHBondContact O-N 3.12Å |
| 224 | K | 90 | Very high | 85.9 | Confident | 72 Ų | 72 | 33.1 Ų | 33.1 | 31% | 0.313 | 16% | 0.159 | S | C | . | . | trans | -138.7 | 86.1 | -170.8 | -75.6 | 179.5 | -176.1 | 125.8 | 0 | 111.8 | E185 K186 R187 K262 | E185-K224 PolarHBondContact O-N 2.96Å; K186-K224 HydrophobicContact CB-CB 4.42Å; K186-K224 HydrophobicContact CG-CB 4.11Å; R187-K224 PolarHBondContact N-O 2.9Å; K224-K262 HydrophobicContact CG-CB 4.26Å | ||
| 225 | R | 87.3 | Confident | 85.4 | Confident | 5 Ų | 5 | 35.8 Ų | 35.8 | 2% | 0.019 | 18% | 0.176 | C | C | . | . | trans | -94.4 | 137.8 | -179.1 | -163.6 | 173.6 | -171.1 | -122.1 | -9 | 115.9 | R187 E206 E208 E244 E246 K262 R263 R264 | R187-R225 HydrophobicContact CB-CG 4.28Å; E206-R225 IonicContact OE2-CZ 3.39Å; E206-R225 IonicContact OE2-NH2 2.59Å; E206-R225 PolarHBondContact OE2-NH2 2.95Å; E208-R225 WeakPolarHBondContact OE1-CD 3.44Å; E208-R225 IonicContact OE1-CZ 2.83Å; E208-R225 IonicContact OE1-NE 2.73Å; E208-R225 PolarHBondContact OE1-NE 2.91Å; E208-R225 IonicContact OE1-NH2 3.93Å; E208-R225 VanDerWaalsContact OE2-CD 3.27Å; E208-R225 WeakPolarHBondContact OE2-CD 3.24Å; E208-R225 IonicContact OE2-NE 2.91Å; E208-R225 PolarHBondContact OE2-NE 2.83Å; R225-E244 IonicContact CZ-OE1 2.78Å; R225-E244 IonicContact CZ-OE2 2.62Å; R225-E244 IonicContact NH1-OE1 3.08Å; R225-E244 IonicContact NH1-OE2 2.64Å; R225-E244 PolarHBondContact NH1-OE2 2.99Å; R225-E244 IonicContact NH2-OE1 3.89Å; R225-E244 PolarHBondContact NH2-OE1 2.7Å; R225-E244 IonicContact NH2-OE2 3.62Å; R225-E244 PolarHBondContact NH2-OE2 2.91Å; R225-E246 WeakPolarHBondContact CD-OE1 3.39Å; R225-E246 WeakPolarHBondContact CD-OE2 3.3Å; R225-E246 IonicContact CZ-OE1 3.18Å; R225-E246 IonicContact NE-OE1 2.67Å; R225-E246 IonicContact NH1-OE1 2.79Å; R225-E246 PolarHBondContact NH1-OE1 3.18Å; R225-K262 PolarHBondContact N-O 3.26Å; R225-R263 HydrophobicContact CB-CG 4.29Å; R225-R263 VanDerWaalsContact NH1-CZ 3.33Å; R225-R264 PolarHBondContact O-N 2.93Å | ||
| 226 | R | 87.6 | Confident | 85 | Confident | 68 Ų | 68 | 35.6 Ų | 35.6 | 26% | 0.257 | 18% | 0.179 | S | C | . | . | trans | -137.1 | 100.1 | 172.7 | -174.1 | -176.5 | 173.6 | -177.3 | 2.5 | 113.3 | R187 R188 R189 R228 R264 | R187-R226 PolarHBondContact O-N 2.86Å; R188-R226 WeakPolarHBondContact CA-O 3.5Å; R188-R226 HydrophobicContact CG-CB 4.45Å; R189-R226 PolarHBondContact N-O 2.86Å; R189-R226 VanDerWaalsContact N-O 3.17Å; R226-R228 VanDerWaalsContact NH2-CZ 3.34Å; R226-R264 WeakPolarHBondContact CA-O 3.44Å; R226-R264 HydrophobicContact CG-CB 4.43Å | ||
| 227 | R | 85.9 | Confident | 84.7 | Confident | 8 Ų | 8 | 31.8 Ų | 31.8 | 3% | 0.03 | 16% | 0.161 | C | C | . | . | trans | -97.6 | 136.6 | 176.5 | -164 | 173.2 | -171 | -155.9 | 8.3 | 113.2 | R189 E244 R264 R265 R266 E282 | R189-R227 HydrophobicContact CB-CG 4.39Å; R227-E244 IonicContact CZ-OE1 3.07Å; R227-E244 IonicContact CZ-OE2 2.68Å; R227-E244 IonicContact NE-OE1 3.46Å; R227-E244 PolarHBondContact NE-OE1 2.94Å; R227-E244 IonicContact NH1-OE1 3.49Å; R227-E244 PolarHBondContact NH1-OE1 3.2Å; R227-E244 IonicContact NH1-OE2 2.71Å; R227-E244 PolarHBondContact NH1-OE2 2.88Å; R227-E244 IonicContact NH2-OE1 3.64Å; R227-E244 PolarHBondContact NH2-OE1 2.57Å; R227-E244 VanDerWaalsContact NH2-OE1 3.07Å; R227-R264 PolarHBondContact N-O 2.88Å; R227-R264 VanDerWaalsContact N-O 3.1Å; R227-R265 HydrophobicContact CB-CG 4.31Å; R227-R266 PolarHBondContact O-N 2.91Å; R227-E282 IonicContact NH1-OE1 3.62Å | ||
| 228 | R | 86.4 | Confident | 84.5 | Confident | 70 Ų | 70 | 34.6 Ų | 34.6 | 26% | 0.264 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 115.8 | 166 | -62.2 | -172.4 | 170.5 | -175.2 | -7.9 | 110.1 | R189 R190 R191 R226 R266 | R189-R228 PolarHBondContact O-N 3.38Å; R190-R228 CarbonylContact C-O 3.6Å; R190-R228 VanDerWaalsContact CA-O 3.31Å; R190-R228 WeakPolarHBondContact CA-O 3.49Å; R190-R228 HydrophobicContact CG-CB 4.27Å; R191-R228 PolarHBondContact N-O 3.37Å; R226-R228 VanDerWaalsContact NH2-CZ 3.34Å; R228-R266 CarbonylContact C-O 3.58Å; R228-R266 VanDerWaalsContact CA-O 3.3Å; R228-R266 WeakPolarHBondContact CA-O 3.32Å; R228-R266 HydrophobicContact CG-CB 4.26Å |
| 229 | R | 85.3 | Confident | 84.2 | Confident | 8 Ų | 8 | 32 Ų | 32 | 3% | 0.03 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 129.7 | 176.3 | -170.5 | 171.9 | 176.1 | -138.6 | -8 | 109.6 | R191 T231 S239 T241 R266 R267 R268 | R191-R229 CarbonylContact O-C 3.56Å; R191-R229 WeakPolarHBondContact O-CA 3.37Å; R229-T231 PolarHBondContact NE-OG1 3Å; R229-T231 PolarHBondContact NH2-OG1 3.02Å; R229-S239 PolarHBondContact NH2-OG 2.91Å; R229-T241 PolarHBondContact NH1-OG1 3.07Å; R229-R266 PolarHBondContact N-O 2.98Å; R229-R267 HydrophobicContact CB-CG 4.46Å; R229-R267 CarbonylContact O-C 3.56Å; R229-R267 WeakPolarHBondContact O-CA 3.28Å; R229-R268 PolarHBondContact O-N 3.05Å |
| 230 | R | 86.5 | Confident | 83.8 | Confident | 97 Ų | 97 | 34.5 Ų | 34.5 | 37% | 0.366 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 117 | 166.1 | -176.8 | 177.3 | 179.8 | -178 | -1 | 107.6 | R191 R192 T193 R268 | R191-R230 PolarHBondContact O-N 2.87Å; R192-R230 CarbonylContact C-O 3.6Å; R192-R230 VanDerWaalsContact CA-O 3.28Å; R192-R230 WeakPolarHBondContact CA-O 3.3Å; R192-R230 HydrophobicContact CG-CB 4.47Å; T193-R230 PolarHBondContact N-O 3.47Å; R230-R268 CarbonylContact C-O 3.56Å; R230-R268 VanDerWaalsContact CA-O 3.27Å; R230-R268 WeakPolarHBondContact CA-O 3.19Å; R230-R268 HydrophobicContact CG-CB 4.46Å |
| 231 | T | 84 | Confident | 83 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133.9 | 175.4 | -51.6 | 0 | 0 | 0 | 0 | 107.8 | T193 R229 L233 R268 T269 T270 | T193-T231 WeakPolarHBondContact O-CA 3.24Å; R229-T231 PolarHBondContact NE-OG1 3Å; R229-T231 PolarHBondContact NH2-OG1 3.02Å; T231-L233 HydrophobicContact CG2-CD1 4.44Å; T231-L233 HydrophobicContact CG2-CD2 3.49Å; T231-L233 VanDerWaalsContact CG2-CD2 3.49Å; T231-L233 HydrophobicContact CG2-CG 3.81Å; T231-R268 PolarHBondContact N-O 3.12Å; T231-T269 WeakPolarHBondContact O-CA 3.23Å; T231-T270 PolarHBondContact O-N 2.97Å |
| 232 | T | 85 | Confident | 82 | Confident | 38 Ų | 38 | 35.3 Ų | 35.3 | 23% | 0.233 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 115.2 | 168.2 | -60.7 | 0 | 0 | 0 | 0 | 105.9 | T193 T194 L195 T270 | T193-T232 PolarHBondContact O-N 3.01Å; T194-T232 VanDerWaalsContact CA-O 3.32Å; T194-T232 WeakPolarHBondContact CA-O 3.16Å; L195-T232 PolarHBondContact N-O 2.85Å; T232-T270 VanDerWaalsContact CA-O 3.32Å; T232-T270 WeakPolarHBondContact CA-O 3.33Å |
| 233 | L | 80.2 | Confident | 81 | Confident | 7 Ų | 7 | 35 Ų | 35 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | trans | -103 | 146.7 | 177.2 | -56.5 | -171.1 | 0 | 0 | 0 | 108.4 | L195 T231 G237 T270 L271 G272 | L195-L233 HydrophobicContact CB-CD2 3.84Å; L195-L233 HydrophobicContact CD1-CD2 3.42Å; L195-L233 VanDerWaalsContact CD1-CD2 3.42Å; L195-L233 HydrophobicContact CG-CD2 3.63Å; T231-L233 HydrophobicContact CG2-CD1 4.44Å; T231-L233 HydrophobicContact CG2-CD2 3.49Å; T231-L233 VanDerWaalsContact CG2-CD2 3.49Å; T231-L233 HydrophobicContact CG2-CG 3.81Å; L233-G237 WeakPolarHBondContact CD1-O 3.08Å; L233-T270 PolarHBondContact N-O 3.47Å; L233-L271 HydrophobicContact CB-CD2 3.81Å; L233-L271 HydrophobicContact CD1-CD2 3.4Å; L233-L271 HydrophobicContact CG-CD2 3.58Å; L233-G272 PolarHBondContact O-N 2.63Å | ||
| 234 | G | 80.1 | Confident | 80.4 | Confident | 13 Ų | 13 | 35 Ų | 35 | 13% | 0.134 | 18% | 0.179 | C | C | . | . | trans | -71 | -169.1 | 169 | 0 | 0 | 0 | 0 | 0 | 111.8 | L195 G196 L236 G237 G272 | L195-G234 PolarHBondContact O-N 2.93Å; G196-G234 WeakPolarHBondContact O-CA 3.27Å; G196-G234 PolarHBondContact O-N 2.79Å; G234-L236 PolarHBondContact O-N 2.92Å; G234-G237 PolarHBondContact O-N 2.59Å; G234-G272 PolarHBondContact O-N 2.7Å | ||
| 235 | P | 75.9 | Confident | 79.9 | Confident | 57 Ų | 57 | 36.2 Ų | 36.2 | 37% | 0.37 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -41.5 | -175.2 | -32.2 | 36.6 | 0 | 0 | 0 | 116.9 | L274 G275 | P235-L274 CarbonylContact O-C 3.12Å; P235-L274 WeakPolarHBondContact O-CA 3.44Å; P235-L274 VanDerWaalsContact O-CB 3.26Å; P235-L274 WeakPolarHBondContact O-CB 3.41Å; P235-L274 PolarHBondContact O-N 2.74Å; P235-G275 PolarHBondContact O-N 2.59Å |
| 236 | L | 77.5 | Confident | 79.6 | Confident | 85 Ų | 85 | 36.1 Ų | 36.1 | 45% | 0.445 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | 24.8 | -174.6 | -69.2 | 162.7 | 0 | 0 | 0 | 111.2 | P197 L198 G234 L274 | P197-L236 CarbonylContact O-C 3.59Å; P197-L236 WeakPolarHBondContact O-CA 3.33Å; P197-L236 VanDerWaalsContact O-CB 3.31Å; P197-L236 WeakPolarHBondContact O-CB 3.39Å; P197-L236 PolarHBondContact O-N 2.88Å; L198-L236 HydrophobicContact CD2-CB 3.65Å; L198-L236 HydrophobicContact CD2-CD1 3.46Å; L198-L236 VanDerWaalsContact CD2-CD1 3.46Å; L198-L236 HydrophobicContact CD2-CG 4.18Å; L198-L236 HydrophobicContact CG-CB 4.44Å; L198-L236 HydrophobicContact CG-CD1 4.34Å; G234-L236 PolarHBondContact O-N 2.92Å; L236-L274 HydrophobicContact CD2-CB 3.65Å; L236-L274 HydrophobicContact CD2-CD1 3.51Å; L236-L274 HydrophobicContact CD2-CG 4.21Å; L236-L274 HydrophobicContact CG-CB 4.43Å; L236-L274 HydrophobicContact CG-CD1 4.35Å |
| 237 | G | 77.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -83 | 133.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P197 G199 L233 G234 G275 E276 | P197-G237 PolarHBondContact O-N 3.11Å; P197-G237 VanDerWaalsContact O-N 3.17Å; G199-G237 WeakPolarHBondContact O-CA 2.97Å; L233-G237 WeakPolarHBondContact CD1-O 3.08Å; G234-G237 PolarHBondContact O-N 2.59Å; G237-G275 VanDerWaalsContact O-CA 3.31Å; G237-G275 WeakPolarHBondContact O-CA 3.33Å; G237-E276 PolarHBondContact O-N 3.25Å | ||
| 238 | E | 81.2 | Confident | 79.3 | Confident | 81 Ų | 81 | 35 Ų | 35 | 38% | 0.379 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 147.1 | 174.5 | -62.6 | -170.7 | -169.3 | 0 | 0 | 111.6 | G199 E200 S201 E276 | G199-E238 PolarHBondContact O-N 3.24Å; E200-E238 HydrophobicContact CG-CB 4.36Å; S201-E238 PolarHBondContact N-O 2.71Å; E238-E276 HydrophobicContact CG-CB 4.38Å |
| 239 | S | 79.9 | Confident | 79.4 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 109.8 | 167.8 | -172.4 | 0 | 0 | 0 | 0 | 113.3 | S201 R229 E276 S277 T278 | S201-S239 WeakPolarHBondContact O-CA 2.97Å; S201-S239 PolarHBondContact O-OG 2.68Å; R229-S239 PolarHBondContact NH2-OG 2.91Å; S239-E276 PolarHBondContact N-O 2.64Å; S239-S277 WeakPolarHBondContact O-CA 3.42Å; S239-T278 PolarHBondContact O-N 3.09Å; S239-T278 VanDerWaalsContact O-N 3.14Å |
| 240 | T | 77.5 | Confident | 79.3 | Confident | 52 Ų | 52 | 33.1 Ų | 33.1 | 32% | 0.319 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 134 | 171.7 | -53.3 | 0 | 0 | 0 | 0 | 109.2 | S201 T202 T203 T278 | S201-T240 PolarHBondContact O-N 2.62Å; S201-T240 VanDerWaalsContact O-O 3.1Å; T202-T240 VanDerWaalsContact CA-O 3.28Å; T202-T240 WeakPolarHBondContact CA-O 3.07Å; T203-T240 PolarHBondContact N-O 2.81Å; T240-T278 CarbonylContact C-O 3.58Å; T240-T278 WeakPolarHBondContact CA-O 3.43Å |
| 241 | T | 70.3 | Confident | 79.4 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | trans | -135.1 | 105.4 | 168.1 | 63.4 | 0 | 0 | 0 | 0 | 110.6 | T203 R229 T278 T279 P280 | T203-T241 CarbonylContact O-C 3.56Å; T203-T241 WeakPolarHBondContact O-CA 3.45Å; T203-T241 WeakPolarHBondContact O-CB 3.31Å; T203-T241 WeakPolarHBondContact OG1-CB 3.46Å; T203-T241 WeakPolarHBondContact OG1-CG2 3.47Å; R229-T241 PolarHBondContact NH1-OG1 3.07Å; T241-T278 PolarHBondContact N-O 2.76Å; T241-T279 WeakPolarHBondContact OG1-CG2 3.44Å; T241-P280 VanDerWaalsContact C-CD 3.49Å; T241-P280 WeakPolarHBondContact O-CD 3.36Å | ||
| 242 | P | 66.8 | Low | 79.5 | Confident | 44 Ų | 44 | 30.4 Ų | 30.4 | 29% | 0.286 | 18% | 0.175 | S | C | . | . | trans | -49 | 174.2 | 177.3 | -33.8 | 31.3 | 0 | 0 | 0 | 117.4 | T203 P204 P280 | T203-P242 WeakPolarHBondContact O-CD 3.37Å; P204-P242 VanDerWaalsContact CA-CG 3.45Å; P204-P242 HydrophobicContact CB-CB 4.22Å; P204-P242 HydrophobicContact CB-CG 3.89Å; P242-P280 HydrophobicContact CB-CG 4.42Å | ||
| 243 | G | 68.1 | Low | 79.5 | Confident | 24 Ų | 24 | 32.8 Ų | 32.8 | 25% | 0.247 | 18% | 0.182 | C | C | . | . | trans | -69.1 | 161.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G205 E206 G281 | G205-G243 WeakPolarHBondContact CA-O 3.31Å; E206-G243 PolarHBondContact N-O 2.78Å; G243-G281 WeakPolarHBondContact CA-O 3.4Å | ||
| 244 | E | 76.5 | Confident | 79.6 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 129.5 | 176.4 | -57.3 | -175.1 | 140.6 | 0 | 0 | 106.4 | E206 R225 R227 R263 G281 E282 E283 | E206-E244 HydrophobicContact CB-CG 4.45Å; E206-E244 WeakPolarHBondContact O-CA 3.2Å; R225-E244 IonicContact CZ-OE1 2.78Å; R225-E244 IonicContact CZ-OE2 2.62Å; R225-E244 IonicContact NH1-OE1 3.08Å; R225-E244 IonicContact NH1-OE2 2.64Å; R225-E244 PolarHBondContact NH1-OE2 2.99Å; R225-E244 IonicContact NH2-OE1 3.89Å; R225-E244 PolarHBondContact NH2-OE1 2.7Å; R225-E244 IonicContact NH2-OE2 3.62Å; R225-E244 PolarHBondContact NH2-OE2 2.91Å; R227-E244 IonicContact CZ-OE1 3.07Å; R227-E244 IonicContact CZ-OE2 2.68Å; R227-E244 IonicContact NE-OE1 3.46Å; R227-E244 PolarHBondContact NE-OE1 2.94Å; R227-E244 IonicContact NH1-OE1 3.49Å; R227-E244 PolarHBondContact NH1-OE1 3.2Å; R227-E244 IonicContact NH1-OE2 2.71Å; R227-E244 PolarHBondContact NH1-OE2 2.88Å; R227-E244 IonicContact NH2-OE1 3.64Å; R227-E244 PolarHBondContact NH2-OE1 2.57Å; R227-E244 VanDerWaalsContact NH2-OE1 3.07Å; E244-R263 IonicContact OE2-CZ 3.68Å; E244-R263 IonicContact OE2-NH2 2.91Å; E244-R263 PolarHBondContact OE2-NH2 2.89Å; E244-G281 PolarHBondContact N-O 2.6Å; E244-E282 HydrophobicContact CB-CG 4.37Å; E244-E282 CarbonylContact O-C 3.6Å; E244-E282 VanDerWaalsContact O-CA 3.32Å; E244-E282 WeakPolarHBondContact O-CA 3.39Å; E244-E283 PolarHBondContact O-N 2.71Å |
| 245 | E | 78.3 | Confident | 79.7 | Confident | 99 Ų | 99 | 36.7 Ų | 36.7 | 46% | 0.463 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 121.2 | 178.5 | -61.4 | -176.3 | -165 | 0 | 0 | 107.5 | E206 E207 E208 E283 | E206-E245 PolarHBondContact O-N 3.14Å; E207-E245 WeakPolarHBondContact CA-O 3.19Å; E207-E245 HydrophobicContact CG-CB 4.35Å; E208-E245 PolarHBondContact N-O 3.02Å; E245-E283 WeakPolarHBondContact CA-O 3.15Å; E245-E283 HydrophobicContact CG-CB 4.36Å |
| 246 | E | 81.2 | Confident | 80.2 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 116.3 | 178.3 | -81.2 | 158.5 | -119.6 | 0 | 0 | 106.4 | E208 R225 R263 E283 E284 L285 | E208-E246 HydrophobicContact CB-CG 4.12Å; E208-E246 WeakPolarHBondContact O-CA 3.26Å; R225-E246 WeakPolarHBondContact CD-OE1 3.39Å; R225-E246 WeakPolarHBondContact CD-OE2 3.3Å; R225-E246 IonicContact CZ-OE1 3.18Å; R225-E246 IonicContact NE-OE1 2.67Å; R225-E246 IonicContact NH1-OE1 2.79Å; R225-E246 PolarHBondContact NH1-OE1 3.18Å; E246-R263 IonicContact OE1-CZ 3.82Å; E246-R263 IonicContact OE1-NE 2.83Å; E246-R263 PolarHBondContact OE1-NE 3.24Å; E246-R263 IonicContact OE1-NH1 3.65Å; E246-R263 IonicContact OE1-NH2 3.72Å; E246-R263 VanDerWaalsContact OE2-CD 3.22Å; E246-R263 WeakPolarHBondContact OE2-CD 3.21Å; E246-R263 IonicContact OE2-NE 3.59Å; E246-R263 PolarHBondContact OE2-NE 3.08Å; E246-E283 PolarHBondContact N-O 3.05Å; E246-E284 HydrophobicContact CB-CG 4.06Å; E246-E284 WeakPolarHBondContact O-CA 3.42Å; E246-L285 PolarHBondContact O-N 2.74Å |
| 247 | L | 84.6 | Confident | 80.5 | Confident | 52 Ų | 52 | 32.6 Ų | 32.6 | 27% | 0.272 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 120.6 | -179.3 | 174.2 | 57.6 | 0 | 0 | 0 | 110.4 | E208 L209 V210 N249 L285 | E208-L247 PolarHBondContact O-N 3.14Å; L209-L247 CarbonylContact C-O 3.55Å; L209-L247 WeakPolarHBondContact CA-O 3.15Å; L209-L247 HydrophobicContact CD1-CB 3.75Å; L209-L247 HydrophobicContact CD1-CD2 3.6Å; L209-L247 HydrophobicContact CD1-CG 3.46Å; L209-L247 VanDerWaalsContact CD1-CG 3.46Å; L209-L247 WeakPolarHBondContact CD1-O 3.33Å; V210-L247 PolarHBondContact N-O 2.83Å; L247-N249 HydrophobicContact CD1-CB 4.41Å; L247-N249 HydrophobicContact CG-CB 4.42Å; L247-L285 WeakPolarHBondContact CA-O 3.32Å; L247-L285 HydrophobicContact CD1-CB 3.75Å; L247-L285 HydrophobicContact CD1-CD2 3.74Å; L247-L285 HydrophobicContact CD1-CG 3.57Å; L247-L285 WeakPolarHBondContact CD1-O 3.33Å |
| 248 | V | 83.2 | Confident | 80.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 104.8 | 165.9 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | V210 E223 V250 E261 L285 V286 N287 | V210-V248 HydrophobicContact CB-CG1 4.49Å; V210-V248 HydrophobicContact CB-CG2 4.41Å; V210-V248 WeakPolarHBondContact O-CA 3.13Å; E223-V248 HydrophobicContact CB-CG2 3.49Å; E223-V248 VanDerWaalsContact CB-CG2 3.49Å; E223-V248 HydrophobicContact CG-CG2 4.41Å; V248-V250 HydrophobicContact CG1-CG2 3.72Å; V248-E261 HydrophobicContact CG2-CB 4.18Å; V248-E261 HydrophobicContact CG2-CG 4.04Å; V248-L285 PolarHBondContact N-O 3.22Å; V248-V286 HydrophobicContact CB-CG1 4.48Å; V248-V286 HydrophobicContact CB-CG2 4.47Å; V248-N287 PolarHBondContact O-N 3.14Å |
| 249 | N | 88 | Confident | 81.1 | Confident | 39 Ų | 39 | 30 Ų | 30 | 21% | 0.209 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 117 | 174.8 | -172 | 40.8 | 0 | 0 | 0 | 109.8 | V210 N211 V212 L247 N287 | V210-N249 PolarHBondContact O-N 2.86Å; N211-N249 CarbonylContact C-O 3.56Å; N211-N249 WeakPolarHBondContact CA-O 3.41Å; N211-N249 PolarHBondContact OD1-ND2 3.03Å; V212-N249 PolarHBondContact N-O 3.1Å; L247-N249 HydrophobicContact CD1-CB 4.41Å; L247-N249 HydrophobicContact CG-CB 4.42Å; N249-N287 CarbonylContact C-O 3.59Å; N249-N287 WeakPolarHBondContact CA-O 3.35Å |
| 250 | V | 84.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 113.9 | -179.7 | -162.2 | 0 | 0 | 0 | 0 | 107.3 | V212 V219 V248 V257 N287 V288 T289 | V212-V250 HydrophobicContact CB-CG1 4.21Å; V212-V250 CarbonylContact O-C 3.57Å; V212-V250 WeakPolarHBondContact O-CA 3.23Å; V219-V250 HydrophobicContact CB-CG1 3.75Å; V219-V250 HydrophobicContact CG1-CG1 3.27Å; V248-V250 HydrophobicContact CG1-CG2 3.72Å; V250-V257 HydrophobicContact CB-CG1 3.7Å; V250-V257 HydrophobicContact CG1-CG1 3.26Å; V250-N287 PolarHBondContact N-O 2.92Å; V250-V288 HydrophobicContact CB-CG1 4.21Å; V250-V288 WeakPolarHBondContact O-CA 2.93Å; V250-T289 PolarHBondContact O-N 2.86Å |
| 251 | T | 87.7 | Confident | 81.9 | Confident | 40 Ų | 40 | 30.4 Ų | 30.4 | 25% | 0.245 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.2 | -176.9 | -57.4 | 0 | 0 | 0 | 0 | 110 | V212 T213 D214 T289 | V212-T251 PolarHBondContact O-N 3.46Å; T213-T251 VanDerWaalsContact CA-O 3.32Å; T213-T251 WeakPolarHBondContact CA-O 3.29Å; D214-T251 PolarHBondContact N-O 3.28Å; T251-T289 WeakPolarHBondContact CA-O 3.29Å |
| 252 | D | 86.5 | Confident | 82.8 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | trans | -126.3 | 163.2 | 163.8 | -162.5 | -0.2 | 0 | 0 | 0 | 109 | D214 Q216 G217 V219 Q254 G255 V257 T289 D290 | D214-D252 WeakPolarHBondContact O-CA 3.3Å; Q216-D252 PolarHBondContact N-OD1 2.7Å; G217-D252 PolarHBondContact N-OD2 3.29Å; V219-D252 HydrophobicContact CG2-CB 3.72Å; D252-Q254 PolarHBondContact OD1-N 2.87Å; D252-Q254 VanDerWaalsContact OD2-C 3.31Å; D252-G255 WeakPolarHBondContact OD2-CA 3.49Å; D252-G255 PolarHBondContact OD2-N 2.93Å; D252-V257 HydrophobicContact CB-CG2 3.3Å; D252-T289 PolarHBondContact N-O 3.25Å; D252-D290 WeakPolarHBondContact O-CA 3.46Å | ||
| 253 | K | 84.5 | Confident | 83.7 | Confident | 89 Ų | 89 | 33.6 Ų | 33.6 | 39% | 0.387 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -97.6 | -32 | 166.5 | -50.6 | 178.1 | -180 | -180 | 0 | 111.6 | K215 K291 Q292 | K215-K253 HydrophobicContact CB-CD 4.11Å; K215-K253 HydrophobicContact CB-CG 4.49Å; K215-K253 HydrophobicContact CG-CD 4.4Å; K215-K253 VanDerWaalsContact O-CB 3.24Å; K215-K253 WeakPolarHBondContact O-CB 3.4Å; K215-K253 PolarHBondContact O-N 3.1Å; K253-K291 HydrophobicContact CB-CD 4.15Å; K253-K291 HydrophobicContact CG-CD 4.44Å; K253-K291 VanDerWaalsContact O-CB 3.26Å; K253-K291 WeakPolarHBondContact O-CB 3.41Å; K253-Q292 PolarHBondContact O-N 2.89Å |
| 254 | Q | 81.6 | Confident | 84.5 | Confident | 82 Ų | 82 | 35.6 Ų | 35.6 | 38% | 0.383 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -154.4 | 106.9 | -177.5 | -63.5 | -179 | -39.8 | 0 | 0 | 110.3 | K215 Q216 G217 D252 D290 Q292 | K215-Q254 PolarHBondContact O-N 3.17Å; Q216-Q254 WeakPolarHBondContact CA-O 3.34Å; Q216-Q254 HydrophobicContact CG-CB 4.41Å; G217-Q254 PolarHBondContact N-O 2.92Å; G217-Q254 VanDerWaalsContact N-O 3.12Å; D252-Q254 PolarHBondContact OD1-N 2.87Å; D252-Q254 VanDerWaalsContact OD2-C 3.31Å; Q254-D290 PolarHBondContact N-OD1 3.41Å; Q254-Q292 WeakPolarHBondContact CA-O 2.93Å; Q254-Q292 HydrophobicContact CG-CB 4.35Å |
| 255 | G | 84.2 | Confident | 84.9 | Confident | 20 Ų | 20 | 36.5 Ų | 36.5 | 21% | 0.206 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.3 | -138.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | G217 D252 D290 Q292 G293 V294 | G217-G255 CarbonylContact O-C 3.56Å; G217-G255 WeakPolarHBondContact O-CA 3.37Å; D252-G255 WeakPolarHBondContact OD2-CA 3.49Å; D252-G255 PolarHBondContact OD2-N 2.93Å; G255-D290 PolarHBondContact N-OD2 3.49Å; G255-Q292 PolarHBondContact N-O 3.35Å; G255-Q292 VanDerWaalsContact N-O 3.14Å; G255-G293 CarbonylContact O-C 3.59Å; G255-G293 WeakPolarHBondContact O-CA 3.01Å; G255-V294 PolarHBondContact O-N 3.41Å |
| 256 | V | 85 | Confident | 85.2 | Confident | 56 Ų | 56 | 35.1 Ų | 35.1 | 34% | 0.339 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 119 | 177.1 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | G217 V218 V219 V258 V294 | G217-V256 PolarHBondContact O-N 3.27Å; V218-V256 CarbonylContact C-O 3.56Å; V218-V256 WeakPolarHBondContact CA-O 2.85Å; V218-V256 HydrophobicContact CG1-CB 4.38Å; V218-V256 HydrophobicContact CG2-CB 4.34Å; V219-V256 PolarHBondContact N-O 2.91Å; V256-V258 HydrophobicContact CG1-CG2 4.17Å; V256-V294 CarbonylContact C-O 3.56Å; V256-V294 WeakPolarHBondContact CA-O 3.34Å; V256-V294 HydrophobicContact CG1-CB 4.45Å; V256-V294 HydrophobicContact CG2-CB 4.39Å |
| 257 | V | 84.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121.5 | -174.2 | -161.6 | 0 | 0 | 0 | 0 | 109.4 | V219 V250 D252 V288 D290 V294 V295 V296 | V219-V257 HydrophobicContact CB-CG1 4.24Å; V219-V257 CarbonylContact O-C 3.58Å; V219-V257 WeakPolarHBondContact O-CA 3.43Å; V250-V257 HydrophobicContact CB-CG1 3.7Å; V250-V257 HydrophobicContact CG1-CG1 3.26Å; D252-V257 HydrophobicContact CB-CG2 3.3Å; V257-V288 HydrophobicContact CB-CG1 3.71Å; V257-V288 HydrophobicContact CG1-CG1 3.25Å; V257-D290 HydrophobicContact CG2-CB 3.73Å; V257-V294 PolarHBondContact N-O 2.89Å; V257-V295 HydrophobicContact CB-CG1 4.27Å; V257-V295 CarbonylContact O-C 3.57Å; V257-V295 WeakPolarHBondContact O-CA 3.34Å; V257-V296 PolarHBondContact O-N 3.06Å |
| 258 | V | 85.4 | Confident | 85.4 | Confident | 26 Ų | 26 | 37.7 Ų | 37.7 | 16% | 0.158 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 108.5 | -178.8 | -175 | 0 | 0 | 0 | 0 | 109.9 | V219 V220 G221 V256 Q260 V296 | V219-V258 PolarHBondContact O-N 2.92Å; V220-V258 CarbonylContact C-O 3.58Å; V220-V258 WeakPolarHBondContact CA-O 3.08Å; V220-V258 HydrophobicContact CG1-CB 4.43Å; V220-V258 HydrophobicContact CG2-CB 4.33Å; G221-V258 PolarHBondContact N-O 2.94Å; V256-V258 HydrophobicContact CG1-CG2 4.17Å; V258-Q260 HydrophobicContact CG1-CG 3.99Å; V258-V296 CarbonylContact C-O 3.58Å; V258-V296 WeakPolarHBondContact CA-O 3.38Å; V258-V296 HydrophobicContact CG1-CB 4.44Å; V258-V296 HydrophobicContact CG2-CB 4.34Å |
| 259 | G | 85.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 126.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G221 V296 G297 Q298 | G221-G259 CarbonylContact O-C 3.58Å; G221-G259 WeakPolarHBondContact O-CA 3.15Å; G259-V296 PolarHBondContact N-O 3.43Å; G259-G297 CarbonylContact O-C 3.58Å; G259-G297 WeakPolarHBondContact O-CA 3.48Å; G259-Q298 PolarHBondContact O-N 2.92Å |
| 260 | Q | 87.4 | Confident | 85.1 | Confident | 59 Ų | 59 | 37.7 Ų | 37.7 | 28% | 0.276 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 130.1 | 173.7 | -58.4 | -171.6 | -4.7 | 0 | 0 | 112.6 | G221 Q222 E223 V258 Q298 | G221-Q260 PolarHBondContact O-N 2.86Å; Q222-Q260 CarbonylContact C-O 3.58Å; Q222-Q260 VanDerWaalsContact CA-O 3.23Å; Q222-Q260 WeakPolarHBondContact CA-O 3.01Å; Q222-Q260 HydrophobicContact CG-CB 4.19Å; E223-Q260 PolarHBondContact N-O 2.9Å; V258-Q260 HydrophobicContact CG1-CG 3.99Å; Q260-Q298 CarbonylContact C-O 3.58Å; Q260-Q298 VanDerWaalsContact CA-O 3.26Å; Q260-Q298 WeakPolarHBondContact CA-O 2.84Å; Q260-Q298 HydrophobicContact CG-CB 4.25Å |
| 261 | E | 86.8 | Confident | 84.9 | Confident | 3 Ų | 3 | 38 Ų | 38 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 139.3 | 175.6 | -158.9 | -111.6 | 102.1 | 0 | 0 | 110.4 | E223 V248 V286 Q298 E299 K300 | E223-E261 HydrophobicContact CB-CG 4.05Å; V248-E261 HydrophobicContact CG2-CB 4.18Å; V248-E261 HydrophobicContact CG2-CG 4.04Å; E261-V286 HydrophobicContact CB-CG2 3.45Å; E261-V286 VanDerWaalsContact CB-CG2 3.45Å; E261-V286 HydrophobicContact CG-CG2 4.33Å; E261-Q298 PolarHBondContact N-O 3.17Å; E261-E299 HydrophobicContact CB-CG 4.26Å; E261-E299 WeakPolarHBondContact O-CA 3.49Å; E261-K300 PolarHBondContact O-N 2.98Å |
| 262 | K | 88.1 | Confident | 84.5 | Confident | 108 Ų | 108 | 36.8 Ų | 36.8 | 47% | 0.47 | 18% | 0.175 | S | C | . | . | trans | -145.4 | 94.1 | -173 | -172.9 | -178.4 | -176.5 | 168.6 | 0 | 112.1 | E223 K224 R225 K300 | E223-K262 PolarHBondContact O-N 3.12Å; K224-K262 HydrophobicContact CG-CB 4.26Å; R225-K262 PolarHBondContact N-O 3.26Å; K262-K300 WeakPolarHBondContact CA-O 2.8Å; K262-K300 HydrophobicContact CG-CB 4.31Å | ||
| 263 | R | 86.2 | Confident | 83.8 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 1% | 0.011 | 19% | 0.192 | C | C | . | . | trans | -94 | 138.2 | 177.1 | -155.7 | 173.5 | -169.8 | -142.5 | -32.6 | 116.2 | R225 E244 E246 E282 E284 K300 R301 R302 R303 | R225-R263 HydrophobicContact CB-CG 4.29Å; R225-R263 VanDerWaalsContact NH1-CZ 3.33Å; E244-R263 IonicContact OE2-CZ 3.68Å; E244-R263 IonicContact OE2-NH2 2.91Å; E244-R263 PolarHBondContact OE2-NH2 2.89Å; E246-R263 IonicContact OE1-CZ 3.82Å; E246-R263 IonicContact OE1-NE 2.83Å; E246-R263 PolarHBondContact OE1-NE 3.24Å; E246-R263 IonicContact OE1-NH1 3.65Å; E246-R263 IonicContact OE1-NH2 3.72Å; E246-R263 VanDerWaalsContact OE2-CD 3.22Å; E246-R263 WeakPolarHBondContact OE2-CD 3.21Å; E246-R263 IonicContact OE2-NE 3.59Å; E246-R263 PolarHBondContact OE2-NE 3.08Å; R263-E282 IonicContact CZ-OE1 3.24Å; R263-E282 IonicContact CZ-OE2 2.72Å; R263-E282 VanDerWaalsContact NH1-CD 3.26Å; R263-E282 IonicContact NH1-OE1 3.46Å; R263-E282 IonicContact NH1-OE2 2.87Å; R263-E282 PolarHBondContact NH1-OE2 3.33Å; R263-E282 IonicContact NH2-OE1 2.59Å; R263-E282 PolarHBondContact NH2-OE1 3.16Å; R263-E282 IonicContact NH2-OE2 3.07Å; R263-E282 PolarHBondContact NH2-OE2 2.91Å; R263-E284 WeakPolarHBondContact CB-OE2 3.3Å; R263-E284 WeakPolarHBondContact CD-OE1 3.4Å; R263-E284 WeakPolarHBondContact CD-OE2 3.25Å; R263-E284 IonicContact CZ-OE1 3.82Å; R263-E284 IonicContact NE-OE1 3.45Å; R263-E284 PolarHBondContact NE-OE1 2.99Å; R263-E284 IonicContact NH1-OE1 2.94Å; R263-E284 PolarHBondContact NH1-OE1 3.03Å; R263-K300 PolarHBondContact N-O 2.94Å; R263-R301 WeakPolarHBondContact O-CA 3.37Å; R263-R302 PolarHBondContact O-N 3.32Å; R263-R303 VanDerWaalsContact NH1-CZ 3.31Å | ||
| 264 | R | 85.9 | Confident | 83.4 | Confident | 67 Ų | 67 | 39.1 Ų | 39.1 | 25% | 0.253 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 103.1 | 168.6 | -174.7 | -176.1 | 174.1 | -177.4 | 3.6 | 113.3 | R225 R226 R227 R266 R302 | R225-R264 PolarHBondContact O-N 2.93Å; R226-R264 WeakPolarHBondContact CA-O 3.44Å; R226-R264 HydrophobicContact CG-CB 4.43Å; R227-R264 PolarHBondContact N-O 2.88Å; R227-R264 VanDerWaalsContact N-O 3.1Å; R264-R266 VanDerWaalsContact NH2-CZ 3.29Å; R264-R302 WeakPolarHBondContact CA-O 3.43Å; R264-R302 HydrophobicContact CG-CB 4.46Å |
| 265 | R | 84.5 | Confident | 83.2 | Confident | 20 Ų | 20 | 35.2 Ų | 35.2 | 8% | 0.075 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 138.7 | 175.7 | -158.8 | 171.9 | -173.8 | -150.9 | 4.3 | 113 | R227 E282 R302 R303 R304 | R227-R265 HydrophobicContact CB-CG 4.31Å; R265-E282 IonicContact CZ-OE1 3.37Å; R265-E282 IonicContact CZ-OE2 2.81Å; R265-E282 IonicContact NE-OE1 3.11Å; R265-E282 PolarHBondContact NE-OE1 2.64Å; R265-E282 IonicContact NE-OE2 2.71Å; R265-E282 IonicContact NH1-OE1 2.71Å; R265-E282 PolarHBondContact NH1-OE1 2.69Å; R265-E282 IonicContact NH1-OE2 3.69Å; R265-E282 PolarHBondContact NH1-OE2 3.28Å; R265-E282 IonicContact NH2-OE1 2.7Å; R265-E282 PolarHBondContact NH2-OE1 2.89Å; R265-E282 VanDerWaalsContact NH2-OE1 3.1Å; R265-R302 PolarHBondContact N-O 3.39Å; R265-R302 VanDerWaalsContact N-O 3.12Å; R265-R303 HydrophobicContact CB-CB 4.38Å; R265-R303 HydrophobicContact CB-CG 3.91Å; R265-R304 PolarHBondContact O-N 3Å |
| 266 | R | 84.7 | Confident | 83 | Confident | 69 Ų | 69 | 38.1 Ų | 38.1 | 26% | 0.26 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 116.2 | 164.6 | -62.2 | -171.9 | 169.9 | -175.1 | -8.7 | 109.9 | R227 R228 R229 R264 R304 | R227-R266 PolarHBondContact O-N 2.91Å; R228-R266 CarbonylContact C-O 3.58Å; R228-R266 VanDerWaalsContact CA-O 3.3Å; R228-R266 WeakPolarHBondContact CA-O 3.32Å; R228-R266 HydrophobicContact CG-CB 4.26Å; R229-R266 PolarHBondContact N-O 2.98Å; R264-R266 VanDerWaalsContact NH2-CZ 3.29Å; R266-R304 CarbonylContact C-O 3.6Å; R266-R304 VanDerWaalsContact CA-O 3.31Å; R266-R304 WeakPolarHBondContact CA-O 3.39Å; R266-R304 HydrophobicContact CG-CB 4.29Å |
| 267 | R | 83.7 | Confident | 82.7 | Confident | 12 Ų | 12 | 35.6 Ų | 35.6 | 5% | 0.045 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 129.9 | 175.4 | -170.1 | 170.9 | 173.9 | -144.6 | -5.1 | 109.4 | R229 T269 S277 T279 R304 R305 R306 | R229-R267 HydrophobicContact CB-CG 4.46Å; R229-R267 CarbonylContact O-C 3.56Å; R229-R267 WeakPolarHBondContact O-CA 3.28Å; R267-T269 PolarHBondContact NE-OG1 3.22Å; R267-S277 PolarHBondContact NH2-OG 3.07Å; R267-T279 PolarHBondContact NH1-OG1 2.58Å; R267-R304 PolarHBondContact N-O 3.03Å; R267-R305 WeakPolarHBondContact O-CA 3.42Å; R267-R306 PolarHBondContact O-N 2.79Å |
| 268 | R | 84.9 | Confident | 82.3 | Confident | 97 Ų | 97 | 38 Ų | 38 | 37% | 0.366 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 116.8 | 165.7 | -175.6 | 176.9 | -179.7 | -173.9 | -0.8 | 107.6 | R229 R230 T231 R306 | R229-R268 PolarHBondContact O-N 3.05Å; R230-R268 CarbonylContact C-O 3.56Å; R230-R268 VanDerWaalsContact CA-O 3.27Å; R230-R268 WeakPolarHBondContact CA-O 3.19Å; R230-R268 HydrophobicContact CG-CB 4.46Å; T231-R268 PolarHBondContact N-O 3.12Å; R268-R306 CarbonylContact C-O 3.6Å; R268-R306 VanDerWaalsContact CA-O 3.26Å; R268-R306 WeakPolarHBondContact CA-O 3.08Å; R268-R306 HydrophobicContact CG-CB 4.47Å |
| 269 | T | 83.1 | Confident | 81.5 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 135 | 175.3 | -52 | 0 | 0 | 0 | 0 | 107.7 | T231 R267 L271 R306 T307 T308 | T231-T269 WeakPolarHBondContact O-CA 3.23Å; R267-T269 PolarHBondContact NE-OG1 3.22Å; T269-L271 HydrophobicContact CG2-CD1 4.42Å; T269-L271 HydrophobicContact CG2-CD2 3.44Å; T269-L271 VanDerWaalsContact CG2-CD2 3.44Å; T269-L271 HydrophobicContact CG2-CG 3.78Å; T269-R306 PolarHBondContact N-O 3.26Å; T269-T307 WeakPolarHBondContact O-CA 3.22Å; T269-T308 PolarHBondContact O-N 3.19Å |
| 270 | T | 83.8 | Confident | 80.4 | Confident | 39 Ų | 39 | 39 Ų | 39 | 24% | 0.239 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 116 | 167.2 | -60.5 | 0 | 0 | 0 | 0 | 105.8 | T231 T232 L233 T308 | T231-T270 PolarHBondContact O-N 2.97Å; T232-T270 VanDerWaalsContact CA-O 3.32Å; T232-T270 WeakPolarHBondContact CA-O 3.33Å; L233-T270 PolarHBondContact N-O 3.47Å; T270-T308 WeakPolarHBondContact CA-O 3.19Å |
| 271 | L | 79.3 | Confident | 79.3 | Confident | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | trans | -102.8 | 145.5 | 177.3 | -56.6 | -172.1 | 0 | 0 | 0 | 108.5 | L233 T269 G275 T308 L309 G310 E314 | L233-L271 HydrophobicContact CB-CD2 3.81Å; L233-L271 HydrophobicContact CD1-CD2 3.4Å; L233-L271 HydrophobicContact CG-CD2 3.58Å; T269-L271 HydrophobicContact CG2-CD1 4.42Å; T269-L271 HydrophobicContact CG2-CD2 3.44Å; T269-L271 VanDerWaalsContact CG2-CD2 3.44Å; T269-L271 HydrophobicContact CG2-CG 3.78Å; L271-G275 WeakPolarHBondContact CD1-O 3.48Å; L271-T308 PolarHBondContact N-O 3Å; L271-L309 HydrophobicContact CB-CD2 3.95Å; L271-L309 HydrophobicContact CD1-CD2 3.38Å; L271-L309 HydrophobicContact CG-CD2 3.7Å; L271-G310 PolarHBondContact O-N 3.48Å; L271-E314 WeakPolarHBondContact CD1-O 3.33Å | ||
| 272 | G | 78.4 | Confident | 78.7 | Confident | 13 Ų | 13 | 37.3 Ų | 37.3 | 13% | 0.134 | 19% | 0.189 | C | C | . | . | trans | -71.4 | -171.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L233 G234 L274 G275 G310 | L233-G272 PolarHBondContact O-N 2.63Å; G234-G272 PolarHBondContact O-N 2.7Å; G272-L274 PolarHBondContact O-N 2.68Å; G272-G275 PolarHBondContact O-N 2.83Å; G272-G310 PolarHBondContact O-N 2.92Å | ||
| 273 | P | 73.4 | Confident | 78 | Confident | 56 Ų | 56 | 36.8 Ų | 36.8 | 36% | 0.364 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -45.7 | -178.1 | -34.5 | 36.6 | 0 | 0 | 0 | 116.6 | P311 L312 G313 | P273-P311 HydrophobicContact CB-CG 4.02Å; P273-P311 HydrophobicContact CG-CG 4.43Å; P273-L312 CarbonylContact O-C 3.57Å; P273-L312 WeakPolarHBondContact O-CA 3.2Å; P273-L312 VanDerWaalsContact O-CB 3.25Å; P273-L312 WeakPolarHBondContact O-CB 3.4Å; P273-L312 PolarHBondContact O-N 2.73Å; P273-G313 PolarHBondContact O-N 2.72Å |
| 274 | L | 75.3 | Confident | 77.6 | Confident | 84 Ų | 84 | 36.8 Ų | 36.8 | 44% | 0.44 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 22.9 | -174.1 | -66.8 | 162.7 | 0 | 0 | 0 | 111.2 | P235 L236 G272 L312 | P235-L274 CarbonylContact O-C 3.12Å; P235-L274 WeakPolarHBondContact O-CA 3.44Å; P235-L274 VanDerWaalsContact O-CB 3.26Å; P235-L274 WeakPolarHBondContact O-CB 3.41Å; P235-L274 PolarHBondContact O-N 2.74Å; L236-L274 HydrophobicContact CD2-CB 3.65Å; L236-L274 HydrophobicContact CD2-CD1 3.51Å; L236-L274 HydrophobicContact CD2-CG 4.21Å; L236-L274 HydrophobicContact CG-CB 4.43Å; L236-L274 HydrophobicContact CG-CD1 4.35Å; G272-L274 PolarHBondContact O-N 2.68Å; L274-L312 HydrophobicContact CD2-CB 3.64Å; L274-L312 HydrophobicContact CD2-CD1 3.54Å; L274-L312 HydrophobicContact CD2-CG 4.23Å; L274-L312 HydrophobicContact CG-CB 4.46Å; L274-L312 HydrophobicContact CG-CD1 4.44Å |
| 275 | G | 76.4 | Confident | 77.3 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -79.9 | 133.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | P235 G237 L271 G272 G313 E314 | P235-G275 PolarHBondContact O-N 2.59Å; G237-G275 VanDerWaalsContact O-CA 3.31Å; G237-G275 WeakPolarHBondContact O-CA 3.33Å; L271-G275 WeakPolarHBondContact CD1-O 3.48Å; G272-G275 PolarHBondContact O-N 2.83Å; G275-G313 WeakPolarHBondContact O-CA 3.44Å; G275-E314 PolarHBondContact O-N 3.43Å | ||
| 276 | E | 79.8 | Confident | 77.1 | Confident | 81 Ų | 81 | 34.8 Ų | 34.8 | 38% | 0.379 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 146.6 | 175.9 | -61.7 | -168.2 | -172.2 | 0 | 0 | 111.7 | G237 E238 S239 E314 | G237-E276 PolarHBondContact O-N 3.25Å; E238-E276 HydrophobicContact CG-CB 4.38Å; S239-E276 PolarHBondContact N-O 2.64Å; E276-E314 HydrophobicContact CG-CB 4.36Å |
| 277 | S | 78.8 | Confident | 77.1 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 115.9 | 168.6 | 78.5 | 0 | 0 | 0 | 0 | 113.1 | S239 R267 E314 S315 T316 | S239-S277 WeakPolarHBondContact O-CA 3.42Å; R267-S277 PolarHBondContact NH2-OG 3.07Å; S277-E314 PolarHBondContact N-O 2.82Å; S277-S315 WeakPolarHBondContact O-CA 3.26Å; S277-T316 PolarHBondContact O-N 2.75Å |
| 278 | T | 76.3 | Confident | 77 | Confident | 50 Ų | 50 | 32.6 Ų | 32.6 | 31% | 0.307 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 129.7 | 175 | -59.5 | 0 | 0 | 0 | 0 | 109.7 | S239 T240 T241 T316 | S239-T278 PolarHBondContact O-N 3.09Å; S239-T278 VanDerWaalsContact O-N 3.14Å; T240-T278 CarbonylContact C-O 3.58Å; T240-T278 WeakPolarHBondContact CA-O 3.43Å; T241-T278 PolarHBondContact N-O 2.76Å; T278-T316 WeakPolarHBondContact CA-O 3.49Å |
| 279 | T | 68.7 | Low | 77 | Confident | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | trans | -134.3 | 109.1 | 167.4 | 64.2 | 0 | 0 | 0 | 0 | 109.2 | T241 R267 T316 T317 P318 | T241-T279 WeakPolarHBondContact OG1-CG2 3.44Å; R267-T279 PolarHBondContact NH1-OG1 2.58Å; T279-T316 PolarHBondContact N-O 3.06Å; T279-T316 VanDerWaalsContact N-O 3.11Å; T279-T317 WeakPolarHBondContact O-CA 3.13Å; T279-T317 WeakPolarHBondContact OG1-CG2 3.19Å; T279-P318 WeakPolarHBondContact O-CD 3.42Å | ||
| 280 | P | 62.9 | Low | 77.1 | Confident | 44 Ų | 44 | 30.2 Ų | 30.2 | 29% | 0.286 | 17% | 0.174 | S | C | . | . | trans | -70 | -174.2 | -178.3 | 28.2 | -15.6 | 0 | 0 | 0 | 111.9 | T241 P242 P318 | T241-P280 VanDerWaalsContact C-CD 3.49Å; T241-P280 WeakPolarHBondContact O-CD 3.36Å; P242-P280 HydrophobicContact CB-CG 4.42Å; P280-P318 HydrophobicContact CB-CG 4.21Å | ||
| 281 | G | 65.3 | Low | 77 | Confident | 22 Ų | 22 | 32.8 Ų | 32.8 | 23% | 0.227 | 18% | 0.182 | C | C | . | . | trans | -63.8 | 159.1 | -168 | 0 | 0 | 0 | 0 | 0 | 112.9 | G243 E244 G319 | G243-G281 WeakPolarHBondContact CA-O 3.4Å; E244-G281 PolarHBondContact N-O 2.6Å; G281-G319 WeakPolarHBondContact CA-O 3.3Å | ||
| 282 | E | 72.7 | Confident | 77 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.019 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127.4 | 173.5 | -60.4 | 178.9 | 137.5 | 0 | 0 | 104.5 | R227 E244 R263 R265 R303 E321 | R227-E282 IonicContact NH1-OE1 3.62Å; E244-E282 HydrophobicContact CB-CG 4.37Å; E244-E282 CarbonylContact O-C 3.6Å; E244-E282 VanDerWaalsContact O-CA 3.32Å; E244-E282 WeakPolarHBondContact O-CA 3.39Å; R263-E282 IonicContact CZ-OE1 3.24Å; R263-E282 IonicContact CZ-OE2 2.72Å; R263-E282 VanDerWaalsContact NH1-CD 3.26Å; R263-E282 IonicContact NH1-OE1 3.46Å; R263-E282 IonicContact NH1-OE2 2.87Å; R263-E282 PolarHBondContact NH1-OE2 3.33Å; R263-E282 IonicContact NH2-OE1 2.59Å; R263-E282 PolarHBondContact NH2-OE1 3.16Å; R263-E282 IonicContact NH2-OE2 3.07Å; R263-E282 PolarHBondContact NH2-OE2 2.91Å; R265-E282 IonicContact CZ-OE1 3.37Å; R265-E282 IonicContact CZ-OE2 2.81Å; R265-E282 IonicContact NE-OE1 3.11Å; R265-E282 PolarHBondContact NE-OE1 2.64Å; R265-E282 IonicContact NE-OE2 2.71Å; R265-E282 IonicContact NH1-OE1 2.71Å; R265-E282 PolarHBondContact NH1-OE1 2.69Å; R265-E282 IonicContact NH1-OE2 3.69Å; R265-E282 PolarHBondContact NH1-OE2 3.28Å; R265-E282 IonicContact NH2-OE1 2.7Å; R265-E282 PolarHBondContact NH2-OE1 2.89Å; R265-E282 VanDerWaalsContact NH2-OE1 3.1Å; E282-R303 IonicContact OE2-CZ 3.61Å; E282-R303 IonicContact OE2-NE 3.7Å; E282-R303 PolarHBondContact OE2-NE 2.94Å; E282-R303 IonicContact OE2-NH1 2.81Å; E282-R303 PolarHBondContact OE2-NH1 3.34Å; E282-R303 IonicContact OE2-NH2 3.26Å; E282-R303 PolarHBondContact OE2-NH2 2.75Å; E282-E321 PolarHBondContact O-N 3Å |
| 283 | E | 74.7 | Confident | 77.1 | Confident | 97 Ų | 97 | 36.7 Ų | 36.7 | 45% | 0.453 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 120.8 | 179.2 | -60.3 | -173.9 | -168.8 | 0 | 0 | 107.4 | E244 E245 E246 E321 | E244-E283 PolarHBondContact O-N 2.71Å; E245-E283 WeakPolarHBondContact CA-O 3.15Å; E245-E283 HydrophobicContact CG-CB 4.36Å; E246-E283 PolarHBondContact N-O 3.05Å; E283-E321 WeakPolarHBondContact CA-O 3.31Å; E283-E321 HydrophobicContact CG-CB 4.35Å |
| 284 | E | 77.5 | Confident | 77.5 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 119.3 | 176.4 | -85.2 | 160.2 | -116.7 | 0 | 0 | 106.8 | E246 R263 R301 R303 E321 E322 L323 | E246-E284 HydrophobicContact CB-CG 4.06Å; E246-E284 WeakPolarHBondContact O-CA 3.42Å; R263-E284 WeakPolarHBondContact CB-OE2 3.3Å; R263-E284 WeakPolarHBondContact CD-OE1 3.4Å; R263-E284 WeakPolarHBondContact CD-OE2 3.25Å; R263-E284 IonicContact CZ-OE1 3.82Å; R263-E284 IonicContact NE-OE1 3.45Å; R263-E284 PolarHBondContact NE-OE1 2.99Å; R263-E284 IonicContact NH1-OE1 2.94Å; R263-E284 PolarHBondContact NH1-OE1 3.03Å; E284-R301 IonicContact OE1-NE 3.11Å; E284-R303 IonicContact OE1-CZ 3.12Å; E284-R303 IonicContact OE1-NE 3.17Å; E284-R303 IonicContact OE1-NH2 3.95Å; E284-R303 PolarHBondContact OE1-NH2 3.36Å; E284-E321 PolarHBondContact N-O 3.27Å; E284-E322 HydrophobicContact CB-CG 4.27Å; E284-E322 WeakPolarHBondContact O-CA 3.45Å; E284-L323 PolarHBondContact O-N 3.37Å |
| 285 | L | 79.8 | Confident | 77.8 | Confident | 46 Ų | 46 | 32.7 Ų | 32.7 | 24% | 0.241 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 119.9 | -177 | -177.7 | 58.4 | 0 | 0 | 0 | 110.3 | E246 L247 V248 N287 L323 | E246-L285 PolarHBondContact O-N 2.74Å; L247-L285 WeakPolarHBondContact CA-O 3.32Å; L247-L285 HydrophobicContact CD1-CB 3.75Å; L247-L285 HydrophobicContact CD1-CD2 3.74Å; L247-L285 HydrophobicContact CD1-CG 3.57Å; L247-L285 WeakPolarHBondContact CD1-O 3.33Å; V248-L285 PolarHBondContact N-O 3.22Å; L285-N287 WeakPolarHBondContact CD1-OD1 3.41Å; L285-N287 WeakPolarHBondContact CD2-ND2 3.41Å; L285-L323 WeakPolarHBondContact CA-O 3.13Å; L285-L323 HydrophobicContact CD1-CB 3.61Å; L285-L323 HydrophobicContact CD1-CD2 3.51Å; L285-L323 HydrophobicContact CD1-CG 3.51Å; L285-L323 WeakPolarHBondContact CD1-O 3.27Å |
| 286 | V | 79.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 102.4 | 169.5 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | V248 E261 V288 E299 L323 V324 N325 | V248-V286 HydrophobicContact CB-CG1 4.48Å; V248-V286 HydrophobicContact CB-CG2 4.47Å; E261-V286 HydrophobicContact CB-CG2 3.45Å; E261-V286 VanDerWaalsContact CB-CG2 3.45Å; E261-V286 HydrophobicContact CG-CG2 4.33Å; V286-V288 HydrophobicContact CG1-CG2 3.75Å; V286-E299 HydrophobicContact CG2-CB 4.49Å; V286-E299 HydrophobicContact CG2-CG 4.37Å; V286-L323 PolarHBondContact N-O 3.24Å; V286-V324 HydrophobicContact CB-CG1 4.46Å; V286-V324 HydrophobicContact CB-CG2 4.44Å; V286-N325 PolarHBondContact O-N 3.25Å |
| 287 | N | 84.8 | Confident | 78.3 | Confident | 35 Ų | 35 | 30.1 Ų | 30.1 | 19% | 0.187 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 115.4 | 176 | -77.1 | -14.6 | 0 | 0 | 0 | 109.2 | V248 N249 V250 L285 N325 | V248-N287 PolarHBondContact O-N 3.14Å; N249-N287 CarbonylContact C-O 3.59Å; N249-N287 WeakPolarHBondContact CA-O 3.35Å; V250-N287 PolarHBondContact N-O 2.92Å; L285-N287 WeakPolarHBondContact CD1-OD1 3.41Å; L285-N287 WeakPolarHBondContact CD2-ND2 3.41Å; N287-N325 WeakPolarHBondContact CA-O 3.23Å; N287-N325 WeakPolarHBondContact OD1-CB 3.5Å |
| 288 | V | 81.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 112 | 177.5 | -160.7 | 0 | 0 | 0 | 0 | 107 | V250 V257 V286 V295 N325 V326 T327 | V250-V288 HydrophobicContact CB-CG1 4.21Å; V250-V288 WeakPolarHBondContact O-CA 2.93Å; V257-V288 HydrophobicContact CB-CG1 3.71Å; V257-V288 HydrophobicContact CG1-CG1 3.25Å; V286-V288 HydrophobicContact CG1-CG2 3.75Å; V288-V295 HydrophobicContact CB-CG1 3.63Å; V288-V295 HydrophobicContact CG1-CG1 3.23Å; V288-N325 PolarHBondContact N-O 3.27Å; V288-V326 HydrophobicContact CB-CG1 4.23Å; V288-V326 WeakPolarHBondContact O-CA 3.18Å; V288-T327 PolarHBondContact O-N 2.85Å |
| 289 | T | 84.6 | Confident | 78.9 | Confident | 47 Ų | 47 | 30.9 Ų | 30.9 | 29% | 0.288 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.8 | -177.3 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | V250 T251 D252 T327 | V250-T289 PolarHBondContact O-N 2.86Å; T251-T289 WeakPolarHBondContact CA-O 3.29Å; D252-T289 PolarHBondContact N-O 3.25Å; T289-T327 WeakPolarHBondContact CA-O 3.38Å |
| 290 | D | 84.5 | Confident | 79.7 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | trans | -126.1 | 160.6 | 164.3 | -164.7 | 4 | 0 | 0 | 0 | 109 | D252 Q254 G255 V257 Q292 G293 V295 T327 D328 | D252-D290 WeakPolarHBondContact O-CA 3.46Å; Q254-D290 PolarHBondContact N-OD1 3.41Å; G255-D290 PolarHBondContact N-OD2 3.49Å; V257-D290 HydrophobicContact CG2-CB 3.73Å; D290-Q292 PolarHBondContact OD1-N 2.87Å; D290-G293 WeakPolarHBondContact OD2-CA 2.99Å; D290-G293 PolarHBondContact OD2-N 2.8Å; D290-V295 HydrophobicContact CB-CG2 3.32Å; D290-T327 PolarHBondContact N-O 3.23Å; D290-D328 WeakPolarHBondContact O-CA 3.4Å | ||
| 291 | K | 81.8 | Confident | 80.7 | Confident | 93 Ų | 93 | 34.1 Ų | 34.1 | 40% | 0.404 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -96.9 | -31.8 | 167.5 | -50.9 | 178.4 | -179.9 | -178.9 | 0 | 111.3 | K253 K329 Q330 | K253-K291 HydrophobicContact CB-CD 4.15Å; K253-K291 HydrophobicContact CG-CD 4.44Å; K253-K291 VanDerWaalsContact O-CB 3.26Å; K253-K291 WeakPolarHBondContact O-CB 3.41Å; K291-K329 HydrophobicContact CB-CD 4.31Å; K291-K329 VanDerWaalsContact O-CB 3.31Å; K291-K329 WeakPolarHBondContact O-CB 3.34Å; K291-Q330 PolarHBondContact O-N 2.89Å |
| 292 | Q | 78.9 | Confident | 81.6 | Confident | 82 Ų | 82 | 36.4 Ų | 36.4 | 38% | 0.383 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -154.3 | 103.4 | -175.9 | -62.3 | -178.7 | -34.7 | 0 | 0 | 110.3 | K253 Q254 G255 D290 D328 Q330 | K253-Q292 PolarHBondContact O-N 2.89Å; Q254-Q292 WeakPolarHBondContact CA-O 2.93Å; Q254-Q292 HydrophobicContact CG-CB 4.35Å; G255-Q292 PolarHBondContact N-O 3.35Å; G255-Q292 VanDerWaalsContact N-O 3.14Å; D290-Q292 PolarHBondContact OD1-N 2.87Å; Q292-D328 PolarHBondContact N-OD1 3.01Å; Q292-Q330 WeakPolarHBondContact CA-O 3.39Å; Q292-Q330 HydrophobicContact CG-CB 4.29Å |
| 293 | G | 81.3 | Confident | 82 | Confident | 20 Ų | 20 | 36.8 Ų | 36.8 | 21% | 0.206 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.3 | -136 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | G255 D290 Q330 G331 V332 | G255-G293 CarbonylContact O-C 3.59Å; G255-G293 WeakPolarHBondContact O-CA 3.01Å; D290-G293 WeakPolarHBondContact OD2-CA 2.99Å; D290-G293 PolarHBondContact OD2-N 2.8Å; G293-Q330 PolarHBondContact N-O 3.48Å; G293-G331 CarbonylContact O-C 3.56Å; G293-G331 WeakPolarHBondContact O-CA 3.47Å; G293-V332 PolarHBondContact O-N 3.27Å |
| 294 | V | 82.7 | Confident | 82.4 | Confident | 56 Ų | 56 | 35.6 Ų | 35.6 | 34% | 0.339 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 120.7 | 179 | -179 | 0 | 0 | 0 | 0 | 109.2 | G255 V256 V257 V296 V332 | G255-V294 PolarHBondContact O-N 3.41Å; V256-V294 CarbonylContact C-O 3.56Å; V256-V294 WeakPolarHBondContact CA-O 3.34Å; V256-V294 HydrophobicContact CG1-CB 4.45Å; V256-V294 HydrophobicContact CG2-CB 4.39Å; V257-V294 PolarHBondContact N-O 2.89Å; V294-V296 HydrophobicContact CG1-CG2 4.22Å; V294-V332 WeakPolarHBondContact CA-O 3.41Å; V294-V332 HydrophobicContact CG1-CB 4.45Å; V294-V332 HydrophobicContact CG2-CB 4.41Å |
| 295 | V | 81.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 121.6 | -174.2 | -160.8 | 0 | 0 | 0 | 0 | 109.6 | V257 V288 D290 V326 D328 V332 V333 V334 | V257-V295 HydrophobicContact CB-CG1 4.27Å; V257-V295 CarbonylContact O-C 3.57Å; V257-V295 WeakPolarHBondContact O-CA 3.34Å; V288-V295 HydrophobicContact CB-CG1 3.63Å; V288-V295 HydrophobicContact CG1-CG1 3.23Å; D290-V295 HydrophobicContact CB-CG2 3.32Å; V295-V326 HydrophobicContact CB-CG1 3.68Å; V295-V326 HydrophobicContact CG1-CG1 3.22Å; V295-D328 HydrophobicContact CG2-CB 3.73Å; V295-V332 PolarHBondContact N-O 3.34Å; V295-V333 HydrophobicContact CB-CG1 4.28Å; V295-V333 WeakPolarHBondContact O-CA 3.33Å; V295-V334 PolarHBondContact O-N 3.01Å |
| 296 | V | 82.8 | Confident | 82.7 | Confident | 26 Ų | 26 | 39.5 Ų | 39.5 | 16% | 0.158 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 108.9 | -179.7 | -175 | 0 | 0 | 0 | 0 | 109.9 | V257 V258 G259 V294 Q298 V334 | V257-V296 PolarHBondContact O-N 3.06Å; V258-V296 CarbonylContact C-O 3.58Å; V258-V296 WeakPolarHBondContact CA-O 3.38Å; V258-V296 HydrophobicContact CG1-CB 4.44Å; V258-V296 HydrophobicContact CG2-CB 4.34Å; G259-V296 PolarHBondContact N-O 3.43Å; V294-V296 HydrophobicContact CG1-CG2 4.22Å; V296-Q298 HydrophobicContact CG1-CG 4.04Å; V296-V334 CarbonylContact C-O 3.58Å; V296-V334 WeakPolarHBondContact CA-O 3.32Å; V296-V334 HydrophobicContact CG1-CB 4.49Å; V296-V334 HydrophobicContact CG2-CB 4.38Å |
| 297 | G | 82.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 127.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | G259 V334 G335 Q336 | G259-G297 CarbonylContact O-C 3.58Å; G259-G297 WeakPolarHBondContact O-CA 3.48Å; G297-V334 PolarHBondContact N-O 3.29Å; G297-G335 CarbonylContact O-C 3.52Å; G297-G335 WeakPolarHBondContact O-CA 3.32Å; G297-Q336 PolarHBondContact O-N 3.01Å |
| 298 | Q | 85 | Confident | 82.7 | Confident | 66 Ų | 66 | 39.6 Ų | 39.6 | 31% | 0.308 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 130.3 | 173 | -57.7 | -171.1 | 0.3 | 0 | 0 | 112.6 | G259 Q260 E261 V296 Q336 | G259-Q298 PolarHBondContact O-N 2.92Å; Q260-Q298 CarbonylContact C-O 3.58Å; Q260-Q298 VanDerWaalsContact CA-O 3.26Å; Q260-Q298 WeakPolarHBondContact CA-O 2.84Å; Q260-Q298 HydrophobicContact CG-CB 4.25Å; E261-Q298 PolarHBondContact N-O 3.17Å; V296-Q298 HydrophobicContact CG1-CG 4.04Å; Q298-Q336 CarbonylContact C-O 3.56Å; Q298-Q336 VanDerWaalsContact CA-O 3.3Å; Q298-Q336 WeakPolarHBondContact CA-O 3.42Å; Q298-Q336 HydrophobicContact CG-CB 4.23Å |
| 299 | E | 83.2 | Confident | 82.5 | Confident | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 135.2 | 173.3 | -158.7 | -140.1 | 113.9 | 0 | 0 | 110.6 | E261 V286 V324 Q336 E337 K338 | E261-E299 HydrophobicContact CB-CG 4.26Å; E261-E299 WeakPolarHBondContact O-CA 3.49Å; V286-E299 HydrophobicContact CG2-CB 4.49Å; V286-E299 HydrophobicContact CG2-CG 4.37Å; E299-V324 HydrophobicContact CB-CG2 3.56Å; E299-V324 HydrophobicContact CG-CG2 4.44Å; E299-Q336 PolarHBondContact N-O 2.89Å; E299-E337 HydrophobicContact CB-CG 4.24Å; E299-E337 WeakPolarHBondContact O-CA 3.13Å; E299-K338 PolarHBondContact O-N 2.94Å |
| 300 | K | 85.9 | Confident | 82.1 | Confident | 113 Ų | 113 | 38.3 Ų | 38.3 | 49% | 0.491 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 107.1 | -179.6 | -174.1 | 174.8 | -173.1 | 161.1 | 0 | 113.1 | E261 K262 R263 K338 | E261-K300 PolarHBondContact O-N 2.98Å; K262-K300 WeakPolarHBondContact CA-O 2.8Å; K262-K300 HydrophobicContact CG-CB 4.31Å; R263-K300 PolarHBondContact N-O 2.94Å; K300-K338 HydrophobicContact CG-CB 4.2Å |
| 301 | R | 83.7 | Confident | 81.5 | Confident | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.011 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 139.3 | -175.7 | -172.2 | -177.4 | -175.7 | -129.3 | -62.9 | 115.4 | R263 E284 R303 E320 E322 K338 R339 R340 | R263-R301 WeakPolarHBondContact O-CA 3.37Å; E284-R301 IonicContact OE1-NE 3.11Å; R301-R303 HydrophobicContact CG-CG 4.07Å; R301-E320 IonicContact CZ-OE2 3.61Å; R301-E320 IonicContact NH1-OE2 2.6Å; R301-E320 PolarHBondContact NH1-OE2 2.99Å; R301-E320 IonicContact NH2-OE1 3.84Å; R301-E320 IonicContact NH2-OE2 3.88Å; R301-E320 PolarHBondContact NH2-OE2 3.14Å; R301-E322 WeakPolarHBondContact CD-OE1 3.4Å; R301-E322 WeakPolarHBondContact CD-OE2 2.75Å; R301-E322 IonicContact CZ-OE1 2.92Å; R301-E322 IonicContact CZ-OE2 3.2Å; R301-E322 IonicContact NE-OE1 2.63Å; R301-E322 PolarHBondContact NE-OE1 3.22Å; R301-E322 IonicContact NE-OE2 3.31Å; R301-E322 PolarHBondContact NE-OE2 3.32Å; R301-E322 IonicContact NH1-OE1 3.3Å; R301-E322 PolarHBondContact NH1-OE1 3Å; R301-E322 IonicContact NH1-OE2 2.71Å; R301-E322 PolarHBondContact NH1-OE2 2.89Å; R301-K338 PolarHBondContact N-O 2.77Å; R301-R339 HydrophobicContact CB-CG 4.38Å; R301-R339 VanDerWaalsContact CZ-NE 3.3Å; R301-R339 VanDerWaalsContact NH1-CZ 3.3Å; R301-R340 PolarHBondContact O-N 3.39Å |
| 302 | R | 83.7 | Confident | 81.2 | Confident | 71 Ų | 71 | 40.6 Ų | 40.6 | 27% | 0.268 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 103.3 | 170.4 | -175.7 | -176.7 | 174.8 | -175.6 | 5.1 | 112.7 | R263 R264 R265 R340 | R263-R302 PolarHBondContact O-N 3.32Å; R264-R302 WeakPolarHBondContact CA-O 3.43Å; R264-R302 HydrophobicContact CG-CB 4.46Å; R265-R302 PolarHBondContact N-O 3.39Å; R265-R302 VanDerWaalsContact N-O 3.12Å; R302-R340 WeakPolarHBondContact CA-O 3.4Å; R302-R340 HydrophobicContact CG-CB 4.44Å |
| 303 | R | 81.9 | Confident | 80.9 | Confident | 12 Ų | 12 | 36.7 Ų | 36.7 | 5% | 0.045 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 137.7 | 174.4 | -55.1 | -149.9 | -165.6 | 138.9 | 8.2 | 112.1 | R263 R265 E282 E284 R301 E320 E322 R340 R341 R342 | R263-R303 VanDerWaalsContact NH1-CZ 3.31Å; R265-R303 HydrophobicContact CB-CB 4.38Å; R265-R303 HydrophobicContact CB-CG 3.91Å; E282-R303 IonicContact OE2-CZ 3.61Å; E282-R303 IonicContact OE2-NE 3.7Å; E282-R303 PolarHBondContact OE2-NE 2.94Å; E282-R303 IonicContact OE2-NH1 2.81Å; E282-R303 PolarHBondContact OE2-NH1 3.34Å; E282-R303 IonicContact OE2-NH2 3.26Å; E282-R303 PolarHBondContact OE2-NH2 2.75Å; E284-R303 IonicContact OE1-CZ 3.12Å; E284-R303 IonicContact OE1-NE 3.17Å; E284-R303 IonicContact OE1-NH2 3.95Å; E284-R303 PolarHBondContact OE1-NH2 3.36Å; R301-R303 HydrophobicContact CG-CG 4.07Å; R303-E320 IonicContact CZ-OE2 3.45Å; R303-E320 IonicContact NH1-OE1 2.78Å; R303-E320 PolarHBondContact NH1-OE1 3.2Å; R303-E320 IonicContact NH1-OE2 2.72Å; R303-E320 PolarHBondContact NH1-OE2 3.44Å; R303-E322 IonicContact NH2-OE1 3.95Å; R303-E322 PolarHBondContact NH2-OE1 2.84Å; R303-R340 PolarHBondContact N-O 3.34Å; R303-R340 VanDerWaalsContact N-O 3.13Å; R303-R341 WeakPolarHBondContact O-CA 3.31Å; R303-R342 PolarHBondContact O-N 3.36Å |
| 304 | R | 82.7 | Confident | 80.7 | Confident | 72 Ų | 72 | 39.8 Ų | 39.8 | 27% | 0.272 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 120 | 170.5 | -64.6 | -171.5 | 169.7 | -174.8 | -8.9 | 109.7 | R265 R266 R267 R342 | R265-R304 PolarHBondContact O-N 3Å; R266-R304 CarbonylContact C-O 3.6Å; R266-R304 VanDerWaalsContact CA-O 3.31Å; R266-R304 WeakPolarHBondContact CA-O 3.39Å; R266-R304 HydrophobicContact CG-CB 4.29Å; R267-R304 PolarHBondContact N-O 3.03Å; R304-R342 CarbonylContact C-O 3.55Å; R304-R342 WeakPolarHBondContact CA-O 3.2Å; R304-R342 HydrophobicContact CG-CB 4.29Å |
| 305 | R | 80.8 | Confident | 80.5 | Confident | 29 Ų | 29 | 37.1 Ų | 37.1 | 11% | 0.109 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.6 | 177.8 | -168.7 | 172.2 | 179.3 | -153.3 | -3.4 | 109.7 | R267 T307 S315 T317 R342 R343 R344 | R267-R305 WeakPolarHBondContact O-CA 3.42Å; R305-T307 PolarHBondContact NE-OG1 3.09Å; R305-S315 PolarHBondContact NH2-OG 2.68Å; R305-T317 PolarHBondContact NH1-OG1 3.42Å; R305-T317 VanDerWaalsContact NH2-CG2 3.25Å; R305-R342 PolarHBondContact N-O 2.95Å; R305-R343 WeakPolarHBondContact O-CA 3.16Å; R305-R344 PolarHBondContact O-N 3.45Å |
| 306 | R | 83.5 | Confident | 80.1 | Confident | 100 Ų | 100 | 39.4 Ų | 39.4 | 38% | 0.377 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 116.4 | 165.8 | -174.1 | 176 | 179.9 | -175 | -0.9 | 107.7 | R267 R268 T269 R344 | R267-R306 PolarHBondContact O-N 2.79Å; R268-R306 CarbonylContact C-O 3.6Å; R268-R306 VanDerWaalsContact CA-O 3.26Å; R268-R306 WeakPolarHBondContact CA-O 3.08Å; R268-R306 HydrophobicContact CG-CB 4.47Å; T269-R306 PolarHBondContact N-O 3.26Å; R306-R344 VanDerWaalsContact CA-O 3.28Å; R306-R344 WeakPolarHBondContact CA-O 3.34Å |
| 307 | T | 81 | Confident | 79.3 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134.4 | 175.8 | -53 | 0 | 0 | 0 | 0 | 107.5 | T269 R305 L309 R344 T345 T346 | T269-T307 WeakPolarHBondContact O-CA 3.22Å; R305-T307 PolarHBondContact NE-OG1 3.09Å; T307-L309 HydrophobicContact CG2-CD1 4.45Å; T307-L309 HydrophobicContact CG2-CD2 3.43Å; T307-L309 VanDerWaalsContact CG2-CD2 3.43Å; T307-L309 HydrophobicContact CG2-CG 3.79Å; T307-R344 PolarHBondContact N-O 2.84Å; T307-T345 CarbonylContact O-C 3.59Å; T307-T345 WeakPolarHBondContact O-CA 3.39Å; T307-T346 PolarHBondContact O-N 3.25Å |
| 308 | T | 82.2 | Confident | 78.3 | Confident | 38 Ų | 38 | 40.6 Ų | 40.6 | 23% | 0.233 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 117 | 166.8 | -60.1 | 0 | 0 | 0 | 0 | 105.5 | T269 T270 L271 T346 | T269-T308 PolarHBondContact O-N 3.19Å; T270-T308 WeakPolarHBondContact CA-O 3.19Å; L271-T308 PolarHBondContact N-O 3Å; T308-T346 WeakPolarHBondContact CA-O 3.33Å |
| 309 | L | 77.3 | Confident | 77.2 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | trans | -101.9 | 145.1 | 177.7 | -57 | -177.7 | 0 | 0 | 0 | 108.4 | L271 T307 G313 T346 L347 G348 E352 | L271-L309 HydrophobicContact CB-CD2 3.95Å; L271-L309 HydrophobicContact CD1-CD2 3.38Å; L271-L309 HydrophobicContact CG-CD2 3.7Å; T307-L309 HydrophobicContact CG2-CD1 4.45Å; T307-L309 HydrophobicContact CG2-CD2 3.43Å; T307-L309 VanDerWaalsContact CG2-CD2 3.43Å; T307-L309 HydrophobicContact CG2-CG 3.79Å; L309-G313 WeakPolarHBondContact CD1-O 3.4Å; L309-T346 PolarHBondContact N-O 2.74Å; L309-L347 HydrophobicContact CB-CD2 4.24Å; L309-L347 HydrophobicContact CD1-CD2 3.36Å; L309-L347 HydrophobicContact CG-CD2 3.97Å; L309-G348 PolarHBondContact O-N 2.91Å; L309-E352 WeakPolarHBondContact CD1-O 3.3Å | ||
| 310 | G | 76.5 | Confident | 76.5 | Confident | 12 Ų | 12 | 39 Ų | 39 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | trans | -69.6 | -175.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L271 G272 L312 G313 | L271-G310 PolarHBondContact O-N 3.48Å; G272-G310 PolarHBondContact O-N 2.92Å; G310-L312 VanDerWaalsContact C-N 3.31Å; G310-L312 PolarHBondContact O-N 3.29Å; G310-G313 PolarHBondContact O-N 2.68Å | ||
| 311 | P | 73.3 | Confident | 75.6 | Confident | 58 Ų | 58 | 38.6 Ų | 38.6 | 38% | 0.377 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -39.7 | -177.8 | 11.9 | -27.6 | 0 | 0 | 0 | 115.6 | P273 P349 L350 G351 | P273-P311 HydrophobicContact CB-CG 4.02Å; P273-P311 HydrophobicContact CG-CG 4.43Å; P311-P349 HydrophobicContact CB-CG 3.89Å; P311-L350 CarbonylContact O-C 3.56Å; P311-L350 WeakPolarHBondContact O-CA 3.33Å; P311-L350 WeakPolarHBondContact O-CB 3.3Å; P311-L350 PolarHBondContact O-N 2.88Å; P311-G351 PolarHBondContact O-N 2.85Å |
| 312 | L | 74 | Confident | 74.9 | Confident | 85 Ų | 85 | 38.6 Ų | 38.6 | 45% | 0.445 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | 20.2 | -177.7 | -67 | 164.2 | 0 | 0 | 0 | 111.7 | P273 L274 G310 L350 | P273-L312 CarbonylContact O-C 3.57Å; P273-L312 WeakPolarHBondContact O-CA 3.2Å; P273-L312 VanDerWaalsContact O-CB 3.25Å; P273-L312 WeakPolarHBondContact O-CB 3.4Å; P273-L312 PolarHBondContact O-N 2.73Å; L274-L312 HydrophobicContact CD2-CB 3.64Å; L274-L312 HydrophobicContact CD2-CD1 3.54Å; L274-L312 HydrophobicContact CD2-CG 4.23Å; L274-L312 HydrophobicContact CG-CB 4.46Å; L274-L312 HydrophobicContact CG-CD1 4.44Å; G310-L312 VanDerWaalsContact C-N 3.31Å; G310-L312 PolarHBondContact O-N 3.29Å; L312-L350 HydrophobicContact CD2-CB 3.72Å; L312-L350 HydrophobicContact CD2-CD1 3.6Å; L312-L350 HydrophobicContact CD2-CG 4.32Å |
| 313 | G | 73.3 | Confident | 74.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -77.7 | 132 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | P273 G275 L309 G310 G351 E352 | P273-G313 PolarHBondContact O-N 2.72Å; G275-G313 WeakPolarHBondContact O-CA 3.44Å; L309-G313 WeakPolarHBondContact CD1-O 3.4Å; G310-G313 PolarHBondContact O-N 2.68Å; G313-G351 WeakPolarHBondContact O-CA 3.35Å; G313-E352 PolarHBondContact O-N 3.4Å | ||
| 314 | E | 77.4 | Confident | 74.2 | Confident | 84 Ų | 84 | 37.2 Ų | 37.2 | 39% | 0.393 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 147.4 | 177.4 | -64.3 | -166.9 | -171 | 0 | 0 | 112.5 | L271 G275 E276 S277 | L271-E314 WeakPolarHBondContact CD1-O 3.33Å; G275-E314 PolarHBondContact O-N 3.43Å; E276-E314 HydrophobicContact CG-CB 4.36Å; S277-E314 PolarHBondContact N-O 2.82Å |
| 315 | S | 77.5 | Confident | 74.1 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 102.2 | 177.3 | 150.3 | 0 | 0 | 0 | 0 | 111.1 | S277 R305 E352 S353 T354 | S277-S315 WeakPolarHBondContact O-CA 3.26Å; R305-S315 PolarHBondContact NH2-OG 2.68Å; S315-E352 PolarHBondContact N-O 3.3Å; S315-E352 VanDerWaalsContact N-O 3.1Å; S315-S353 WeakPolarHBondContact O-CA 3.31Å; S315-T354 PolarHBondContact O-N 2.6Å; S315-T354 VanDerWaalsContact O-N 3.17Å |
| 316 | T | 75.2 | Confident | 74 | Confident | 48 Ų | 48 | 34.3 Ų | 34.3 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.6 | 174.1 | -58.1 | 0 | 0 | 0 | 0 | 110.4 | S277 T278 T279 | S277-T316 PolarHBondContact O-N 2.75Å; T278-T316 WeakPolarHBondContact CA-O 3.49Å; T279-T316 PolarHBondContact N-O 3.06Å; T279-T316 VanDerWaalsContact N-O 3.11Å |
| 317 | T | 66 | Low | 73.9 | Confident | 7 Ų | 7 | 31.3 Ų | 31.3 | 4% | 0.043 | 18% | 0.179 | C | C | . | . | trans | -135.8 | 103.9 | 171.4 | 51.9 | 0 | 0 | 0 | 0 | 109.6 | T279 R305 T354 T355 P356 | T279-T317 WeakPolarHBondContact O-CA 3.13Å; T279-T317 WeakPolarHBondContact OG1-CG2 3.19Å; R305-T317 PolarHBondContact NH1-OG1 3.42Å; R305-T317 VanDerWaalsContact NH2-CG2 3.25Å; T317-T354 PolarHBondContact N-O 2.9Å; T317-T355 WeakPolarHBondContact O-CA 3.31Å; T317-T355 WeakPolarHBondContact OG1-CG2 3.32Å; T317-P356 WeakPolarHBondContact O-CD 3.4Å | ||
| 318 | P | 61.5 | Low | 73.9 | Confident | 44 Ų | 44 | 31.4 Ų | 31.4 | 29% | 0.286 | 18% | 0.179 | S | C | . | . | trans | -48.9 | 172 | 172.1 | -36.9 | 38.5 | 0 | 0 | 0 | 115.9 | T279 P280 | T279-P318 WeakPolarHBondContact O-CD 3.42Å; P280-P318 HydrophobicContact CB-CG 4.21Å | ||
| 319 | G | 61.8 | Low | 73.7 | Confident | 23 Ų | 23 | 34.4 Ų | 34.4 | 24% | 0.237 | 19% | 0.189 | C | C | . | . | trans | -61.5 | 158.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G281 G357 | G281-G319 WeakPolarHBondContact CA-O 3.3Å; G319-G357 WeakPolarHBondContact CA-O 3.43Å | ||
| 320 | E | 68.1 | Low | 73.6 | Confident | 13 Ų | 13 | 37.9 Ų | 37.9 | 6% | 0.061 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.3 | 178.4 | -55.8 | 162.5 | 171.5 | 0 | 0 | 103.9 | R301 R303 R339 R341 E358 E359 | R301-E320 IonicContact CZ-OE2 3.61Å; R301-E320 IonicContact NH1-OE2 2.6Å; R301-E320 PolarHBondContact NH1-OE2 2.99Å; R301-E320 IonicContact NH2-OE1 3.84Å; R301-E320 IonicContact NH2-OE2 3.88Å; R301-E320 PolarHBondContact NH2-OE2 3.14Å; R303-E320 IonicContact CZ-OE2 3.45Å; R303-E320 IonicContact NH1-OE1 2.78Å; R303-E320 PolarHBondContact NH1-OE1 3.2Å; R303-E320 IonicContact NH1-OE2 2.72Å; R303-E320 PolarHBondContact NH1-OE2 3.44Å; E320-R339 IonicContact OE2-CZ 3.35Å; E320-R339 IonicContact OE2-NH2 3.45Å; E320-R339 PolarHBondContact OE2-NH2 3.14Å; E320-R341 IonicContact OE1-CZ 3.39Å; E320-R341 IonicContact OE1-NH2 2.64Å; E320-R341 PolarHBondContact OE1-NH2 2.98Å; E320-E358 HydrophobicContact CB-CG 4.47Å; E320-E358 WeakPolarHBondContact O-CA 3.28Å; E320-E359 PolarHBondContact O-N 2.89Å; E320-E359 VanDerWaalsContact O-N 3.1Å |
| 321 | E | 67.4 | Low | 73.6 | Confident | 103 Ų | 103 | 38.4 Ų | 38.4 | 48% | 0.481 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 126.5 | 179.1 | -63.2 | -170.6 | -170.7 | 0 | 0 | 108.8 | E282 E283 E284 E359 | E282-E321 PolarHBondContact O-N 3Å; E283-E321 WeakPolarHBondContact CA-O 3.31Å; E283-E321 HydrophobicContact CG-CB 4.35Å; E284-E321 PolarHBondContact N-O 3.27Å; E321-E359 VanDerWaalsContact CA-O 3.31Å; E321-E359 WeakPolarHBondContact CA-O 3.45Å; E321-E359 HydrophobicContact CG-CB 4.37Å |
| 322 | E | 68.5 | Low | 73.9 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 121.9 | -178.7 | -53.1 | -165.8 | 154.3 | 0 | 0 | 108.2 | E284 R301 R303 R339 E359 E360 L361 | E284-E322 HydrophobicContact CB-CG 4.27Å; E284-E322 WeakPolarHBondContact O-CA 3.45Å; R301-E322 WeakPolarHBondContact CD-OE1 3.4Å; R301-E322 WeakPolarHBondContact CD-OE2 2.75Å; R301-E322 IonicContact CZ-OE1 2.92Å; R301-E322 IonicContact CZ-OE2 3.2Å; R301-E322 IonicContact NE-OE1 2.63Å; R301-E322 PolarHBondContact NE-OE1 3.22Å; R301-E322 IonicContact NE-OE2 3.31Å; R301-E322 PolarHBondContact NE-OE2 3.32Å; R301-E322 IonicContact NH1-OE1 3.3Å; R301-E322 PolarHBondContact NH1-OE1 3Å; R301-E322 IonicContact NH1-OE2 2.71Å; R301-E322 PolarHBondContact NH1-OE2 2.89Å; R303-E322 IonicContact NH2-OE1 3.95Å; R303-E322 PolarHBondContact NH2-OE1 2.84Å; E322-R339 IonicContact OE2-NE 3.72Å; E322-E359 PolarHBondContact N-O 3.38Å; E322-E360 HydrophobicContact CB-CG 4.1Å; E322-E360 HydrophobicContact CG-CG 4.43Å; E322-E360 CarbonylContact O-C 3.55Å; E322-E360 WeakPolarHBondContact O-CA 3.14Å; E322-L361 PolarHBondContact O-N 3.33Å |
| 323 | L | 74.2 | Confident | 74.1 | Confident | 55 Ų | 55 | 34.3 Ų | 34.3 | 29% | 0.288 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 120.1 | -177.1 | 173.8 | 66.4 | 0 | 0 | 0 | 109 | E284 L285 V286 N325 L361 N363 | E284-L323 PolarHBondContact O-N 3.37Å; L285-L323 WeakPolarHBondContact CA-O 3.13Å; L285-L323 HydrophobicContact CD1-CB 3.61Å; L285-L323 HydrophobicContact CD1-CD2 3.51Å; L285-L323 HydrophobicContact CD1-CG 3.51Å; L285-L323 WeakPolarHBondContact CD1-O 3.27Å; V286-L323 PolarHBondContact N-O 3.24Å; L323-N325 HydrophobicContact CG-CB 4.35Å; L323-L361 WeakPolarHBondContact CA-O 3.2Å; L323-L361 HydrophobicContact CD1-CB 3.88Å; L323-L361 HydrophobicContact CD1-CD2 3.68Å; L323-L361 HydrophobicContact CD1-CG 4.4Å; L323-L361 WeakPolarHBondContact CD1-O 3.25Å; L323-N363 HydrophobicContact CD1-CB 4.44Å |
| 324 | V | 76.2 | Confident | 74.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 103.4 | 165.8 | -177.8 | 0 | 0 | 0 | 0 | 106.3 | V286 E299 V326 L361 V362 N363 | V286-V324 HydrophobicContact CB-CG1 4.46Å; V286-V324 HydrophobicContact CB-CG2 4.44Å; E299-V324 HydrophobicContact CB-CG2 3.56Å; E299-V324 HydrophobicContact CG-CG2 4.44Å; V324-V326 HydrophobicContact CG1-CG2 3.69Å; V324-L361 PolarHBondContact N-O 2.99Å; V324-V362 HydrophobicContact CB-CG1 4.37Å; V324-V362 HydrophobicContact CB-CG2 4.49Å; V324-V362 CarbonylContact O-C 3.57Å; V324-V362 WeakPolarHBondContact O-CA 3.32Å; V324-N363 PolarHBondContact O-N 3.03Å |
| 325 | N | 81.3 | Confident | 74.4 | Confident | 40 Ų | 40 | 31.7 Ų | 31.7 | 21% | 0.214 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 112.6 | 175.7 | -170.8 | 19.6 | 0 | 0 | 0 | 109.3 | V286 N287 V288 L323 T327 N363 | V286-N325 PolarHBondContact O-N 3.25Å; N287-N325 WeakPolarHBondContact CA-O 3.23Å; N287-N325 WeakPolarHBondContact OD1-CB 3.5Å; V288-N325 PolarHBondContact N-O 3.27Å; L323-N325 HydrophobicContact CG-CB 4.35Å; N325-T327 PolarHBondContact OD1-OG1 2.93Å; N325-N363 WeakPolarHBondContact CA-O 3.45Å; N325-N363 PolarHBondContact OD1-O 2.9Å |
| 326 | V | 78.2 | Confident | 74.6 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 111.4 | 179.4 | -159.8 | 0 | 0 | 0 | 0 | 106.6 | V288 V295 V324 V333 N363 V364 T365 | V288-V326 HydrophobicContact CB-CG1 4.23Å; V288-V326 WeakPolarHBondContact O-CA 3.18Å; V295-V326 HydrophobicContact CB-CG1 3.68Å; V295-V326 HydrophobicContact CG1-CG1 3.22Å; V324-V326 HydrophobicContact CG1-CG2 3.69Å; V326-V333 HydrophobicContact CB-CG1 3.59Å; V326-V333 HydrophobicContact CG1-CG1 3.22Å; V326-N363 PolarHBondContact N-O 2.87Å; V326-V364 HydrophobicContact CB-CG1 4.4Å; V326-V364 WeakPolarHBondContact O-CA 3.41Å; V326-T365 PolarHBondContact O-N 2.88Å |
| 327 | T | 81.6 | Confident | 74.8 | Confident | 37 Ų | 37 | 31.2 Ų | 31.2 | 23% | 0.227 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 126.7 | -177.5 | -60.3 | 0 | 0 | 0 | 0 | 109.7 | V288 T289 D290 N325 T365 | V288-T327 PolarHBondContact O-N 2.85Å; T289-T327 WeakPolarHBondContact CA-O 3.38Å; D290-T327 PolarHBondContact N-O 3.23Å; N325-T327 PolarHBondContact OD1-OG1 2.93Å; T327-T365 WeakPolarHBondContact CA-O 3.49Å |
| 328 | D | 80.5 | Confident | 75.6 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | trans | -126.7 | 152.5 | 165.1 | -166.2 | -0.7 | 0 | 0 | 0 | 108.9 | D290 Q292 V295 Q330 G331 V333 T365 D366 | D290-D328 WeakPolarHBondContact O-CA 3.4Å; Q292-D328 PolarHBondContact N-OD1 3.01Å; V295-D328 HydrophobicContact CG2-CB 3.73Å; D328-Q330 PolarHBondContact OD1-N 3.17Å; D328-Q330 VanDerWaalsContact OD1-N 3.07Å; D328-Q330 VanDerWaalsContact OD2-C 3.3Å; D328-G331 WeakPolarHBondContact OD2-CA 3.49Å; D328-G331 PolarHBondContact OD2-N 2.76Å; D328-G331 VanDerWaalsContact OD2-N 3.11Å; D328-V333 HydrophobicContact CB-CG2 3.35Å; D328-T365 PolarHBondContact N-O 3.15Å; D328-D366 WeakPolarHBondContact O-CA 3.39Å | ||
| 329 | K | 77.3 | Confident | 76.5 | Confident | 101 Ų | 101 | 33 Ų | 33 | 44% | 0.439 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -92.1 | -30.8 | 169.7 | -53.9 | -178.9 | 178.8 | -176.2 | 0 | 111.2 | K291 K367 | K291-K329 HydrophobicContact CB-CD 4.31Å; K291-K329 VanDerWaalsContact O-CB 3.31Å; K291-K329 WeakPolarHBondContact O-CB 3.34Å; K329-K367 WeakPolarHBondContact O-CB 3.28Å |
| 330 | Q | 75.3 | Confident | 77.3 | Confident | 81 Ų | 81 | 35.4 Ų | 35.4 | 38% | 0.379 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -154.7 | 93.6 | -174.1 | -61.7 | -176.7 | -40 | 0 | 0 | 110.7 | K291 Q292 G293 D328 | K291-Q330 PolarHBondContact O-N 2.89Å; Q292-Q330 WeakPolarHBondContact CA-O 3.39Å; Q292-Q330 HydrophobicContact CG-CB 4.29Å; G293-Q330 PolarHBondContact N-O 3.48Å; D328-Q330 PolarHBondContact OD1-N 3.17Å; D328-Q330 VanDerWaalsContact OD1-N 3.07Å; D328-Q330 VanDerWaalsContact OD2-C 3.3Å |
| 331 | G | 76.5 | Confident | 77.8 | Confident | 23 Ų | 23 | 35.6 Ų | 35.6 | 24% | 0.237 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.2 | -134.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | G293 D328 D366 G369 V370 | G293-G331 CarbonylContact O-C 3.56Å; G293-G331 WeakPolarHBondContact O-CA 3.47Å; D328-G331 WeakPolarHBondContact OD2-CA 3.49Å; D328-G331 PolarHBondContact OD2-N 2.76Å; D328-G331 VanDerWaalsContact OD2-N 3.11Å; G331-D366 VanDerWaalsContact O-OD2 3.06Å; G331-G369 VanDerWaalsContact O-CA 3.23Å; G331-G369 WeakPolarHBondContact O-CA 3.34Å; G331-V370 PolarHBondContact O-N 3.47Å; G331-V370 VanDerWaalsContact O-N 3.12Å |
| 332 | V | 79.2 | Confident | 78.3 | Confident | 57 Ų | 57 | 34.2 Ų | 34.2 | 35% | 0.345 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 124.3 | -180 | 180 | 0 | 0 | 0 | 0 | 109.3 | G293 V294 V295 V334 | G293-V332 PolarHBondContact O-N 3.27Å; V294-V332 WeakPolarHBondContact CA-O 3.41Å; V294-V332 HydrophobicContact CG1-CB 4.45Å; V294-V332 HydrophobicContact CG2-CB 4.41Å; V295-V332 PolarHBondContact N-O 3.34Å; V332-V334 HydrophobicContact CG1-CG2 4.24Å |
| 333 | V | 78.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 119.3 | -173.1 | -159.1 | 0 | 0 | 0 | 0 | 109.8 | V295 V326 D328 V364 D366 V370 V372 | V295-V333 HydrophobicContact CB-CG1 4.28Å; V295-V333 WeakPolarHBondContact O-CA 3.33Å; V326-V333 HydrophobicContact CB-CG1 3.59Å; V326-V333 HydrophobicContact CG1-CG1 3.22Å; D328-V333 HydrophobicContact CB-CG2 3.35Å; V333-V364 HydrophobicContact CB-CG1 3.54Å; V333-V364 HydrophobicContact CG1-CG1 3.18Å; V333-D366 HydrophobicContact CG2-CB 3.73Å; V333-V370 PolarHBondContact N-O 3.44Å; V333-V372 PolarHBondContact O-N 2.99Å |
| 334 | V | 79.5 | Confident | 79 | Confident | 28 Ų | 28 | 37.3 Ų | 37.3 | 17% | 0.17 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 111.3 | 179.5 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | V295 V296 G297 V332 Q336 V372 | V295-V334 PolarHBondContact O-N 3.01Å; V296-V334 CarbonylContact C-O 3.58Å; V296-V334 WeakPolarHBondContact CA-O 3.32Å; V296-V334 HydrophobicContact CG1-CB 4.49Å; V296-V334 HydrophobicContact CG2-CB 4.38Å; G297-V334 PolarHBondContact N-O 3.29Å; V332-V334 HydrophobicContact CG1-CG2 4.24Å; V334-Q336 HydrophobicContact CG1-CG 4.2Å; V334-V372 WeakPolarHBondContact CA-O 3.46Å; V334-V372 HydrophobicContact CG2-CB 4.4Å |
| 335 | G | 78.5 | Confident | 79.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127.6 | 171 | 0 | 0 | 0 | 0 | 0 | 110.7 | G297 V372 G373 Q374 | G297-G335 CarbonylContact O-C 3.52Å; G297-G335 WeakPolarHBondContact O-CA 3.32Å; G335-V372 PolarHBondContact N-O 3.12Å; G335-G373 CarbonylContact O-C 3.59Å; G335-G373 WeakPolarHBondContact O-CA 3.33Å; G335-Q374 PolarHBondContact O-N 3.19Å |
| 336 | Q | 81.1 | Confident | 79 | Confident | 38 Ų | 38 | 37 Ų | 37 | 18% | 0.178 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 130.3 | 172 | -59 | -165.9 | 4.4 | 0 | 0 | 113.2 | G297 Q298 E299 V334 Q374 | G297-Q336 PolarHBondContact O-N 3.01Å; Q298-Q336 CarbonylContact C-O 3.56Å; Q298-Q336 VanDerWaalsContact CA-O 3.3Å; Q298-Q336 WeakPolarHBondContact CA-O 3.42Å; Q298-Q336 HydrophobicContact CG-CB 4.23Å; E299-Q336 PolarHBondContact N-O 2.89Å; V334-Q336 HydrophobicContact CG1-CG 4.2Å; Q336-Q374 CarbonylContact C-O 3.52Å; Q336-Q374 VanDerWaalsContact CA-O 3.3Å; Q336-Q374 WeakPolarHBondContact CA-O 3.25Å; Q336-Q374 HydrophobicContact CG-CB 4.3Å |
| 337 | E | 79.6 | Confident | 78.8 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 130.9 | 173.5 | -157.7 | -147.3 | 119.3 | 0 | 0 | 111.2 | E299 V362 Q374 K376 | E299-E337 HydrophobicContact CB-CG 4.24Å; E299-E337 WeakPolarHBondContact O-CA 3.13Å; E337-V362 HydrophobicContact CB-CG2 3.68Å; E337-Q374 PolarHBondContact N-O 2.89Å; E337-K376 PolarHBondContact O-N 3.04Å |
| 338 | K | 82.8 | Confident | 78.6 | Confident | 81 Ų | 81 | 36.6 Ų | 36.6 | 35% | 0.352 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 102.5 | -178.4 | -77.7 | 176 | 177.5 | 125.7 | 0 | 111.9 | E299 K300 R301 K376 | E299-K338 PolarHBondContact O-N 2.94Å; K300-K338 HydrophobicContact CG-CB 4.2Å; R301-K338 PolarHBondContact N-O 2.77Å; K338-K376 HydrophobicContact CG-CB 4.24Å |
| 339 | R | 80 | Confident | 78.1 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 135.3 | -175.4 | -167.3 | 170.7 | -179.7 | -115.6 | -0.3 | 114.8 | R301 E320 E322 E358 E360 K376 R377 R378 R379 | R301-R339 HydrophobicContact CB-CG 4.38Å; R301-R339 VanDerWaalsContact CZ-NE 3.3Å; R301-R339 VanDerWaalsContact NH1-CZ 3.3Å; E320-R339 IonicContact OE2-CZ 3.35Å; E320-R339 IonicContact OE2-NH2 3.45Å; E320-R339 PolarHBondContact OE2-NH2 3.14Å; E322-R339 IonicContact OE2-NE 3.72Å; R339-E358 IonicContact CZ-OE1 3.1Å; R339-E358 IonicContact CZ-OE2 3.49Å; R339-E358 IonicContact NH1-OE1 3.17Å; R339-E358 IonicContact NH1-OE2 3.62Å; R339-E358 PolarHBondContact NH1-OE2 2.99Å; R339-E358 IonicContact NH2-OE1 2.79Å; R339-E358 PolarHBondContact NH2-OE1 2.96Å; R339-E358 IonicContact NH2-OE2 3.41Å; R339-E358 PolarHBondContact NH2-OE2 2.76Å; R339-E360 WeakPolarHBondContact CD-OE1 3.18Å; R339-E360 WeakPolarHBondContact CD-OE2 3.4Å; R339-E360 IonicContact CZ-OE1 3.23Å; R339-E360 IonicContact NE-OE1 3.82Å; R339-E360 PolarHBondContact NE-OE1 3.31Å; R339-E360 IonicContact NH1-OE1 3.63Å; R339-E360 PolarHBondContact NH1-OE1 3.14Å; R339-E360 IonicContact NH1-OE2 2.81Å; R339-E360 IonicContact NH2-OE1 2.94Å; R339-K376 PolarHBondContact N-O 3.03Å; R339-R377 CarbonylContact O-C 3.59Å; R339-R378 PolarHBondContact O-N 3.36Å; R339-R379 VanDerWaalsContact NH1-NE 3.11Å |
| 340 | R | 78.8 | Confident | 77.8 | Confident | 74 Ų | 74 | 40.2 Ų | 40.2 | 28% | 0.279 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 110.9 | 171.9 | -175 | 180 | 177.1 | -177.8 | 5.6 | 113.3 | R301 R302 R303 R342 R378 | R301-R340 PolarHBondContact O-N 3.39Å; R302-R340 WeakPolarHBondContact CA-O 3.4Å; R302-R340 HydrophobicContact CG-CB 4.44Å; R303-R340 PolarHBondContact N-O 3.34Å; R303-R340 VanDerWaalsContact N-O 3.13Å; R340-R342 VanDerWaalsContact NH2-CZ 3.26Å; R340-R378 WeakPolarHBondContact CA-O 3.43Å; R340-R378 HydrophobicContact CG-CB 4.5Å |
| 341 | R | 78.2 | Confident | 77.6 | Confident | 17 Ų | 17 | 36.7 Ų | 36.7 | 6% | 0.064 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 138.7 | 176.9 | -154.8 | 176.4 | -164.8 | -158.1 | 8 | 112 | R303 E320 E358 R378 R379 R380 | R303-R341 WeakPolarHBondContact O-CA 3.31Å; E320-R341 IonicContact OE1-CZ 3.39Å; E320-R341 IonicContact OE1-NH2 2.64Å; E320-R341 PolarHBondContact OE1-NH2 2.98Å; R341-E358 IonicContact CZ-OE1 2.84Å; R341-E358 IonicContact NE-OE1 2.74Å; R341-E358 PolarHBondContact NE-OE1 2.88Å; R341-E358 IonicContact NH1-OE1 2.91Å; R341-E358 PolarHBondContact NH1-OE1 2.88Å; R341-E358 IonicContact NH1-OE2 3.39Å; R341-E358 IonicContact NH2-OE1 3.89Å; R341-E358 PolarHBondContact NH2-OE1 2.92Å; R341-R378 PolarHBondContact N-O 3.13Å; R341-R379 HydrophobicContact CB-CG 4.34Å; R341-R380 PolarHBondContact O-N 3.45Å; R341-R380 VanDerWaalsContact O-N 3.07Å |
| 342 | R | 78.2 | Confident | 77.4 | Confident | 75 Ų | 75 | 41.3 Ų | 41.3 | 28% | 0.283 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 117.7 | 164.9 | -63.9 | -170.7 | 170.3 | -175.3 | -9.3 | 109.7 | R303 R304 R305 R340 R380 | R303-R342 PolarHBondContact O-N 3.36Å; R304-R342 CarbonylContact C-O 3.55Å; R304-R342 WeakPolarHBondContact CA-O 3.2Å; R304-R342 HydrophobicContact CG-CB 4.29Å; R305-R342 PolarHBondContact N-O 2.95Å; R340-R342 VanDerWaalsContact NH2-CZ 3.26Å; R342-R380 CarbonylContact C-O 3.56Å; R342-R380 WeakPolarHBondContact CA-O 3.3Å; R342-R380 HydrophobicContact CG-CB 4.33Å |
| 343 | R | 77.2 | Confident | 77.2 | Confident | 20 Ų | 20 | 40.1 Ų | 40.1 | 8% | 0.075 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 131 | 173.9 | -172.3 | 176 | 176.1 | -172.5 | 0.7 | 108.9 | R305 T345 S353 T355 R380 R381 R382 | R305-R343 WeakPolarHBondContact O-CA 3.16Å; R343-T345 PolarHBondContact NE-OG1 3Å; R343-S353 PolarHBondContact NH2-OG 2.91Å; R343-T355 PolarHBondContact NH1-OG1 3.28Å; R343-R380 PolarHBondContact N-O 2.95Å; R343-R381 HydrophobicContact CB-CG 4.32Å; R343-R381 WeakPolarHBondContact O-CA 3.3Å; R343-R382 PolarHBondContact O-N 2.56Å |
| 344 | R | 80.1 | Confident | 76.9 | Confident | 102 Ų | 102 | 43.5 Ų | 43.5 | 39% | 0.385 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 116.3 | 165 | -173.4 | 174.7 | -179.8 | -176.5 | -1.1 | 107.6 | R305 R306 T307 R382 | R305-R344 PolarHBondContact O-N 3.45Å; R306-R344 VanDerWaalsContact CA-O 3.28Å; R306-R344 WeakPolarHBondContact CA-O 3.34Å; T307-R344 PolarHBondContact N-O 2.84Å; R344-R382 CarbonylContact C-O 3.59Å; R344-R382 VanDerWaalsContact CA-O 3.29Å; R344-R382 WeakPolarHBondContact CA-O 3.38Å |
| 345 | T | 78.4 | Confident | 76.2 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 132.2 | 175.4 | -48.7 | 0 | 0 | 0 | 0 | 107.4 | T307 R343 L347 R382 T383 T384 | T307-T345 CarbonylContact O-C 3.59Å; T307-T345 WeakPolarHBondContact O-CA 3.39Å; R343-T345 PolarHBondContact NE-OG1 3Å; T345-L347 HydrophobicContact CG2-CD2 3.42Å; T345-L347 VanDerWaalsContact CG2-CD2 3.42Å; T345-L347 HydrophobicContact CG2-CG 3.8Å; T345-R382 PolarHBondContact N-O 3.08Å; T345-T383 CarbonylContact O-C 3.54Å; T345-T383 WeakPolarHBondContact O-CA 3.39Å; T345-T384 PolarHBondContact O-N 2.92Å |
| 346 | T | 80 | Confident | 75.2 | Confident | 35 Ų | 35 | 46.9 Ų | 46.9 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 119.8 | 164.5 | -59.2 | 0 | 0 | 0 | 0 | 105.9 | T307 T308 L309 T384 | T307-T346 PolarHBondContact O-N 3.25Å; T308-T346 WeakPolarHBondContact CA-O 3.33Å; L309-T346 PolarHBondContact N-O 2.74Å; T346-T384 VanDerWaalsContact CA-O 3.29Å; T346-T384 WeakPolarHBondContact CA-O 3.31Å |
| 347 | L | 74.4 | Confident | 74.1 | Confident | 17 Ų | 17 | 47.9 Ų | 47.9 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 142.9 | -178.5 | -59.5 | 173.1 | 0 | 0 | 0 | 108.2 | L309 T345 G351 T383 T384 L385 G386 | L309-L347 HydrophobicContact CB-CD2 4.24Å; L309-L347 HydrophobicContact CD1-CD2 3.36Å; L309-L347 HydrophobicContact CG-CD2 3.97Å; T345-L347 HydrophobicContact CG2-CD2 3.42Å; T345-L347 VanDerWaalsContact CG2-CD2 3.42Å; T345-L347 HydrophobicContact CG2-CG 3.8Å; L347-G351 WeakPolarHBondContact CD1-O 3.45Å; L347-T383 HydrophobicContact CD1-CG2 3.91Å; L347-T383 HydrophobicContact CG-CG2 4.36Å; L347-T384 PolarHBondContact N-O 3.14Å; L347-L385 HydrophobicContact CB-CD2 4.05Å; L347-L385 HydrophobicContact CD1-CD2 3.97Å; L347-G386 PolarHBondContact O-N 3.09Å |
| 348 | G | 76.3 | Confident | 73.4 | Confident | 10 Ų | 10 | 49 Ų | 49 | 10% | 0.103 | 26% | 0.264 | C | S | . | . | trans | -69.9 | 179.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L309 L350 G351 | L309-G348 PolarHBondContact O-N 2.91Å; G348-L350 VanDerWaalsContact C-N 3.25Å; G348-L350 PolarHBondContact O-N 3.24Å; G348-G351 PolarHBondContact O-N 3.12Å | ||
| 349 | P | 70.1 | Confident | 72.4 | Confident | 60 Ų | 60 | 51.7 Ų | 51.7 | 39% | 0.39 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -34.2 | -174 | 20.1 | -35.9 | 0 | 0 | 0 | 115.1 | P311 L388 | P311-P349 HydrophobicContact CB-CG 3.89Å; P349-L388 HydrophobicContact CB-CD2 3.55Å; P349-L388 HydrophobicContact CB-CG 4.5Å |
| 350 | L | 71.6 | Confident | 71.6 | Confident | 118 Ų | 118 | 52.2 Ų | 52.2 | 62% | 0.618 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | 14.2 | -178.2 | -58.2 | 171.3 | 0 | 0 | 0 | 112.4 | P311 L312 G348 E352 | P311-L350 CarbonylContact O-C 3.56Å; P311-L350 WeakPolarHBondContact O-CA 3.33Å; P311-L350 WeakPolarHBondContact O-CB 3.3Å; P311-L350 PolarHBondContact O-N 2.88Å; L312-L350 HydrophobicContact CD2-CB 3.72Å; L312-L350 HydrophobicContact CD2-CD1 3.6Å; L312-L350 HydrophobicContact CD2-CG 4.32Å; G348-L350 VanDerWaalsContact C-N 3.25Å; G348-L350 PolarHBondContact O-N 3.24Å; L350-E352 PolarHBondContact O-N 3.16Å |
| 351 | G | 69.7 | Low | 71.2 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 8% | 0.082 | 29% | 0.289 | C | S | . | . | trans | -77.1 | 127.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | P311 G313 L347 G348 | P311-G351 PolarHBondContact O-N 2.85Å; G313-G351 WeakPolarHBondContact O-CA 3.35Å; L347-G351 WeakPolarHBondContact CD1-O 3.45Å; G348-G351 PolarHBondContact O-N 3.12Å | ||
| 352 | E | 73.4 | Confident | 70.9 | Confident | 119 Ų | 119 | 53.9 Ų | 53.9 | 56% | 0.556 | 30% | 0.296 | S | S | * | . | B | Isolated β-bridge | trans | -101.9 | 147.4 | -179.1 | -62.1 | -159.8 | 174.9 | 0 | 0 | 112.7 | L309 G313 S315 L350 | L309-E352 WeakPolarHBondContact CD1-O 3.3Å; G313-E352 PolarHBondContact O-N 3.4Å; S315-E352 PolarHBondContact N-O 3.3Å; S315-E352 VanDerWaalsContact N-O 3.1Å; L350-E352 PolarHBondContact O-N 3.16Å |
| 353 | S | 74.9 | Confident | 70.9 | Confident | 32 Ų | 32 | 53.8 Ų | 53.8 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | trans | -145.2 | 103.7 | 173.2 | 80.8 | 0 | 0 | 0 | 0 | 113.2 | S315 R343 | S315-S353 WeakPolarHBondContact O-CA 3.31Å; R343-S353 PolarHBondContact NH2-OG 2.91Å | ||
| 354 | T | 72.9 | Confident | 70.8 | Confident | 72 Ų | 72 | 54.1 Ų | 54.1 | 44% | 0.442 | 31% | 0.306 | S | S | . | . | trans | -95.6 | 135.5 | -179 | -53.5 | 0 | 0 | 0 | 0 | 110.9 | S315 T317 | S315-T354 PolarHBondContact O-N 2.6Å; S315-T354 VanDerWaalsContact O-N 3.17Å; T317-T354 PolarHBondContact N-O 2.9Å | ||
| 355 | T | 64.2 | Low | 70.7 | Confident | 33 Ų | 33 | 52.5 Ų | 52.5 | 20% | 0.202 | 31% | 0.307 | C | S | . | . | trans | -136.1 | 105.6 | 170.3 | 35.5 | 0 | 0 | 0 | 0 | 108.3 | T317 R343 | T317-T355 WeakPolarHBondContact O-CA 3.31Å; T317-T355 WeakPolarHBondContact OG1-CG2 3.32Å; R343-T355 PolarHBondContact NH1-OG1 3.28Å | ||
| 356 | P | 58 | Low | 70.6 | Confident | 66 Ų | 66 | 53.8 Ų | 53.8 | 43% | 0.429 | 31% | 0.314 | S | S | . | . | trans | -62.2 | 174.7 | 168.2 | -20.9 | 34.9 | 0 | 0 | 0 | 112.7 | T317 | T317-P356 WeakPolarHBondContact O-CD 3.4Š| ||
| 357 | G | 57.6 | Low | 70.3 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 60% | 0.598 | 34% | 0.337 | S | S | * | . | trans | -54.9 | 160.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | G319 | G319-G357 WeakPolarHBondContact CA-O 3.43Š| ||
| 358 | E | 63.8 | Low | 70.2 | Confident | 26 Ų | 26 | 65.6 Ų | 65.6 | 12% | 0.121 | 36% | 0.364 | C | S | . | . | trans | -123.1 | 125.8 | 174.5 | -61.8 | 170.4 | 155 | 0 | 0 | 105.6 | E320 R339 R341 R379 | E320-E358 HydrophobicContact CB-CG 4.47Å; E320-E358 WeakPolarHBondContact O-CA 3.28Å; R339-E358 IonicContact CZ-OE1 3.1Å; R339-E358 IonicContact CZ-OE2 3.49Å; R339-E358 IonicContact NH1-OE1 3.17Å; R339-E358 IonicContact NH1-OE2 3.62Å; R339-E358 PolarHBondContact NH1-OE2 2.99Å; R339-E358 IonicContact NH2-OE1 2.79Å; R339-E358 PolarHBondContact NH2-OE1 2.96Å; R339-E358 IonicContact NH2-OE2 3.41Å; R339-E358 PolarHBondContact NH2-OE2 2.76Å; R341-E358 IonicContact CZ-OE1 2.84Å; R341-E358 IonicContact NE-OE1 2.74Å; R341-E358 PolarHBondContact NE-OE1 2.88Å; R341-E358 IonicContact NH1-OE1 2.91Å; R341-E358 PolarHBondContact NH1-OE1 2.88Å; R341-E358 IonicContact NH1-OE2 3.39Å; R341-E358 IonicContact NH2-OE1 3.89Å; R341-E358 PolarHBondContact NH2-OE1 2.92Å; E358-R379 IonicContact OE2-CZ 3.79Å; E358-R379 IonicContact OE2-NE 2.83Å; E358-R379 IonicContact OE2-NH1 3.64Å; E358-R379 PolarHBondContact OE2-NH1 3.5Å; E358-R379 IonicContact OE2-NH2 2.61Å; E358-R379 PolarHBondContact OE2-NH2 3.05Å; E358-R379 VanDerWaalsContact OE2-NH2 3.11Å | ||
| 359 | E | 61.6 | Low | 69.9 | Low | 137 Ų | 137 | 67 Ų | 67 | 64% | 0.64 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126.9 | 177.5 | -58.8 | -165 | 178 | 0 | 0 | 107.6 | E320 E321 E322 | E320-E359 PolarHBondContact O-N 2.89Å; E320-E359 VanDerWaalsContact O-N 3.1Å; E321-E359 VanDerWaalsContact CA-O 3.31Å; E321-E359 WeakPolarHBondContact CA-O 3.45Å; E321-E359 HydrophobicContact CG-CB 4.37Å; E322-E359 PolarHBondContact N-O 3.38Å |
| 360 | E | 63.6 | Low | 70.2 | Confident | 18 Ų | 18 | 68.3 Ų | 68.3 | 8% | 0.084 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 118.5 | -172 | -90.3 | 156.7 | -136.3 | 0 | 0 | 104.1 | E322 R339 R377 R379 | E322-E360 HydrophobicContact CB-CG 4.1Å; E322-E360 HydrophobicContact CG-CG 4.43Å; E322-E360 CarbonylContact O-C 3.55Å; E322-E360 WeakPolarHBondContact O-CA 3.14Å; R339-E360 WeakPolarHBondContact CD-OE1 3.18Å; R339-E360 WeakPolarHBondContact CD-OE2 3.4Å; R339-E360 IonicContact CZ-OE1 3.23Å; R339-E360 IonicContact NE-OE1 3.82Å; R339-E360 PolarHBondContact NE-OE1 3.31Å; R339-E360 IonicContact NH1-OE1 3.63Å; R339-E360 PolarHBondContact NH1-OE1 3.14Å; R339-E360 IonicContact NH1-OE2 2.81Å; R339-E360 IonicContact NH2-OE1 2.94Å; E360-R377 PolarHBondContact O-NH2 3.06Å; E360-R377 WeakPolarHBondContact OE2-CD 3.1Å; E360-R377 IonicContact OE2-CZ 3.68Å; E360-R377 IonicContact OE2-NE 3.03Å; E360-R377 PolarHBondContact OE2-NE 3.02Å; E360-R377 IonicContact OE2-NH1 2.57Å; E360-R377 PolarHBondContact OE2-NH1 3.5Å; E360-R377 IonicContact OE2-NH2 3.38Å; E360-R377 PolarHBondContact OE2-NH2 2.92Å; E360-R379 IonicContact OE1-NH2 3.01Å; E360-R379 PolarHBondContact OE1-NH2 3.3Å; E360-R379 IonicContact OE2-NH2 2.99Å; E360-R379 PolarHBondContact OE2-NH2 2.98Å |
| 361 | L | 70.2 | Confident | 70.3 | Confident | 88 Ų | 88 | 66 Ų | 66 | 46% | 0.461 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 124.6 | -170.5 | -152.5 | 108.8 | 0 | 0 | 0 | 109.4 | E322 L323 V324 N363 | E322-L361 PolarHBondContact O-N 3.33Å; L323-L361 WeakPolarHBondContact CA-O 3.2Å; L323-L361 HydrophobicContact CD1-CB 3.88Å; L323-L361 HydrophobicContact CD1-CD2 3.68Å; L323-L361 HydrophobicContact CD1-CG 4.4Å; L323-L361 WeakPolarHBondContact CD1-O 3.25Å; V324-L361 PolarHBondContact N-O 2.99Å; L361-N363 HydrophobicContact CD2-CB 4.31Å; L361-N363 WeakPolarHBondContact CD2-ND2 3.3Å; L361-N363 WeakPolarHBondContact CD2-OD1 3.46Å |
| 362 | V | 72.2 | Confident | 70.6 | Confident | 37 Ų | 37 | 68.3 Ų | 68.3 | 22% | 0.224 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 98.7 | 170.6 | -175.5 | 0 | 0 | 0 | 0 | 106.7 | V324 E337 V364 | V324-V362 HydrophobicContact CB-CG1 4.37Å; V324-V362 HydrophobicContact CB-CG2 4.49Å; V324-V362 CarbonylContact O-C 3.57Å; V324-V362 WeakPolarHBondContact O-CA 3.32Å; E337-V362 HydrophobicContact CB-CG2 3.68Å; V362-V364 HydrophobicContact CG1-CG2 3.7Å |
| 363 | N | 79 | Confident | 70.6 | Confident | 73 Ų | 73 | 64.9 Ų | 64.9 | 39% | 0.39 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 113.4 | 174.6 | -86.5 | -4.5 | 0 | 0 | 0 | 108.9 | L323 V324 N325 V326 L361 | L323-N363 HydrophobicContact CD1-CB 4.44Å; V324-N363 PolarHBondContact O-N 3.03Å; N325-N363 WeakPolarHBondContact CA-O 3.45Å; N325-N363 PolarHBondContact OD1-O 2.9Å; V326-N363 PolarHBondContact N-O 2.87Å; L361-N363 HydrophobicContact CD2-CB 4.31Å; L361-N363 WeakPolarHBondContact CD2-ND2 3.3Å; L361-N363 WeakPolarHBondContact CD2-OD1 3.46Å |
| 364 | V | 74.3 | Confident | 70.8 | Confident | 27 Ų | 27 | 68.3 Ų | 68.3 | 16% | 0.164 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 110.2 | 175.5 | -163.5 | 0 | 0 | 0 | 0 | 106.9 | V326 V333 V362 V371 | V326-V364 HydrophobicContact CB-CG1 4.4Å; V326-V364 WeakPolarHBondContact O-CA 3.41Å; V333-V364 HydrophobicContact CB-CG1 3.54Å; V333-V364 HydrophobicContact CG1-CG1 3.18Å; V362-V364 HydrophobicContact CG1-CG2 3.7Å; V364-V371 HydrophobicContact CB-CG1 3.64Å; V364-V371 HydrophobicContact CG1-CB 4.4Å; V364-V371 HydrophobicContact CG1-CG1 3.53Å; V364-V371 HydrophobicContact CG1-CG2 4.41Å |
| 365 | T | 78 | Confident | 70.9 | Confident | 69 Ų | 69 | 69.3 Ų | 69.3 | 42% | 0.423 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 124.6 | -177.6 | -53.2 | 0 | 0 | 0 | 0 | 109.1 | V326 T327 D328 | V326-T365 PolarHBondContact O-N 2.88Å; T327-T365 WeakPolarHBondContact CA-O 3.49Å; D328-T365 PolarHBondContact N-O 3.15Å |
| 366 | D | 75.9 | Confident | 71.8 | Confident | 26 Ų | 26 | 74.9 Ų | 74.9 | 14% | 0.139 | 42% | 0.418 | C | S | . | . | trans | -133.1 | 141.1 | 168.8 | -168.2 | -16.1 | 0 | 0 | 0 | 108 | D328 G331 V333 Q368 G369 V370 V371 | D328-D366 WeakPolarHBondContact O-CA 3.39Å; G331-D366 VanDerWaalsContact O-OD2 3.06Å; V333-D366 HydrophobicContact CG2-CB 3.73Å; D366-Q368 PolarHBondContact OD1-N 3.3Å; D366-G369 PolarHBondContact OD1-N 2.88Å; D366-G369 WeakPolarHBondContact OD2-CA 3.31Å; D366-G369 PolarHBondContact OD2-N 2.81Å; D366-V370 PolarHBondContact OD2-N 2.98Å; D366-V370 VanDerWaalsContact OD2-N 3.13Å; D366-V371 HydrophobicContact CB-CG2 3.37Å | ||
| 367 | K | 73.7 | Confident | 72.7 | Confident | 159 Ų | 159 | 76.8 Ų | 76.8 | 69% | 0.691 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -88.9 | -23 | 177 | -58.6 | -171.9 | 175.2 | -166.7 | 0 | 112.9 | K329 | K329-K367 WeakPolarHBondContact O-CB 3.28Š|
| 368 | Q | 73.5 | Confident | 73.6 | Confident | 142 Ų | 142 | 79.5 Ų | 79.5 | 66% | 0.664 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -144.7 | -14.2 | -167.6 | -65.9 | -172.2 | -10.8 | 0 | 0 | 115.4 | D366 | D366-Q368 PolarHBondContact OD1-N 3.3Š|
| 369 | G | 70.6 | Confident | 74.2 | Confident | 39 Ų | 39 | 82.9 Ų | 82.9 | 40% | 0.402 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -114.9 | -146 | -174 | 0 | 0 | 0 | 0 | 0 | 115.2 | G331 D366 | G331-G369 VanDerWaalsContact O-CA 3.23Å; G331-G369 WeakPolarHBondContact O-CA 3.34Å; D366-G369 PolarHBondContact OD1-N 2.88Å; D366-G369 WeakPolarHBondContact OD2-CA 3.31Å; D366-G369 PolarHBondContact OD2-N 2.81Å |
| 370 | V | 74.7 | Confident | 74.9 | Confident | 88 Ų | 88 | 82.7 Ų | 82.7 | 53% | 0.533 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 122 | -169 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | G331 V333 D366 V372 | G331-V370 PolarHBondContact O-N 3.47Å; G331-V370 VanDerWaalsContact O-N 3.12Å; V333-V370 PolarHBondContact N-O 3.44Å; D366-V370 PolarHBondContact OD2-N 2.98Å; D366-V370 VanDerWaalsContact OD2-N 3.13Å; V370-V372 HydrophobicContact CG1-CG2 4.28Å |
| 371 | V | 73.6 | Confident | 75.5 | Confident | 70 Ų | 70 | 88.2 Ų | 88.2 | 42% | 0.424 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.3 | 178.8 | 172 | 0 | 0 | 0 | 0 | 110.8 | V364 D366 | V364-V371 HydrophobicContact CB-CG1 3.64Å; V364-V371 HydrophobicContact CG1-CB 4.4Å; V364-V371 HydrophobicContact CG1-CG1 3.53Å; V364-V371 HydrophobicContact CG1-CG2 4.41Å; D366-V371 HydrophobicContact CB-CG2 3.37Å |
| 372 | V | 76.3 | Confident | 75.8 | Confident | 56 Ų | 56 | 91.4 Ų | 91.4 | 34% | 0.339 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 102.4 | 171.3 | -175.5 | 0 | 0 | 0 | 0 | 110 | V333 V334 G335 V370 Q374 | V333-V372 PolarHBondContact O-N 2.99Å; V334-V372 WeakPolarHBondContact CA-O 3.46Å; V334-V372 HydrophobicContact CG2-CB 4.4Å; G335-V372 PolarHBondContact N-O 3.12Å; V370-V372 HydrophobicContact CG1-CG2 4.28Å; V372-Q374 HydrophobicContact CG1-CG 4.33Å |
| 373 | G | 73.5 | Confident | 75.9 | Confident | 47 Ų | 47 | 93.6 Ų | 93.6 | 49% | 0.485 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 131.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111 | G335 | G335-G373 CarbonylContact O-C 3.59Å; G335-G373 WeakPolarHBondContact O-CA 3.33Å |
| 374 | Q | 79.1 | Confident | 76 | Confident | 104 Ų | 104 | 92.6 Ų | 92.6 | 49% | 0.486 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 131.1 | 170.7 | -67.6 | -171.4 | -0.1 | 0 | 0 | 111.9 | G335 Q336 E337 V372 | G335-Q374 PolarHBondContact O-N 3.19Å; Q336-Q374 CarbonylContact C-O 3.52Å; Q336-Q374 VanDerWaalsContact CA-O 3.3Å; Q336-Q374 WeakPolarHBondContact CA-O 3.25Å; Q336-Q374 HydrophobicContact CG-CB 4.3Å; E337-Q374 PolarHBondContact N-O 2.89Å; V372-Q374 HydrophobicContact CG1-CG 4.33Å |
| 375 | E | 76.5 | Confident | 75.8 | Confident | 93 Ų | 93 | 97.3 Ų | 97.3 | 44% | 0.435 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 135.6 | 176.4 | -178.7 | 170.1 | -151.4 | 0 | 0 | 111.4 | R377 | E375-R377 VanDerWaalsContact CD-NE 3.29Å; E375-R377 VanDerWaalsContact CD-NH2 3.33Å; E375-R377 HydrophobicContact CG-CG 4.22Å; E375-R377 IonicContact OE1-CZ 3.35Å; E375-R377 IonicContact OE1-NE 3.53Å; E375-R377 PolarHBondContact OE1-NE 3.43Å; E375-R377 IonicContact OE1-NH2 2.6Å; E375-R377 PolarHBondContact OE1-NH2 3.42Å; E375-R377 IonicContact OE2-CZ 3.16Å; E375-R377 IonicContact OE2-NE 2.78Å; E375-R377 IonicContact OE2-NH2 3.35Å; E375-R377 PolarHBondContact OE2-NH2 3.19Å |
| 376 | K | 81.8 | Confident | 75.1 | Confident | 150 Ų | 150 | 95.1 Ų | 95.1 | 65% | 0.652 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 110.7 | 176.2 | -172.4 | 170.2 | -172 | 158.4 | 0 | 112.7 | E337 K338 R339 | E337-K376 PolarHBondContact O-N 3.04Å; K338-K376 HydrophobicContact CG-CB 4.24Å; R339-K376 PolarHBondContact N-O 3.03Å |
| 377 | R | 77.2 | Confident | 74.2 | Confident | 106 Ų | 106 | 98.2 Ų | 98.2 | 40% | 0.4 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 144 | -179.7 | -59.2 | -178.2 | -175.9 | -171.2 | -2 | 112.9 | R339 E360 E375 | R339-R377 CarbonylContact O-C 3.59Å; E360-R377 PolarHBondContact O-NH2 3.06Å; E360-R377 WeakPolarHBondContact OE2-CD 3.1Å; E360-R377 IonicContact OE2-CZ 3.68Å; E360-R377 IonicContact OE2-NE 3.03Å; E360-R377 PolarHBondContact OE2-NE 3.02Å; E360-R377 IonicContact OE2-NH1 2.57Å; E360-R377 PolarHBondContact OE2-NH1 3.5Å; E360-R377 IonicContact OE2-NH2 3.38Å; E360-R377 PolarHBondContact OE2-NH2 2.92Å; E375-R377 VanDerWaalsContact CD-NE 3.29Å; E375-R377 VanDerWaalsContact CD-NH2 3.33Å; E375-R377 HydrophobicContact CG-CG 4.22Å; E375-R377 IonicContact OE1-CZ 3.35Å; E375-R377 IonicContact OE1-NE 3.53Å; E375-R377 PolarHBondContact OE1-NE 3.43Å; E375-R377 IonicContact OE1-NH2 2.6Å; E375-R377 PolarHBondContact OE1-NH2 3.42Å; E375-R377 IonicContact OE2-CZ 3.16Å; E375-R377 IonicContact OE2-NE 2.78Å; E375-R377 IonicContact OE2-NH2 3.35Å; E375-R377 PolarHBondContact OE2-NH2 3.19Å |
| 378 | R | 76.9 | Confident | 73.2 | Confident | 115 Ų | 115 | 97.7 Ų | 97.7 | 43% | 0.434 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 109.1 | 165.8 | -173.8 | 176.5 | 179.1 | 178.6 | 6.5 | 111.4 | R339 R340 R341 R380 | R339-R378 PolarHBondContact O-N 3.36Å; R340-R378 WeakPolarHBondContact CA-O 3.43Å; R340-R378 HydrophobicContact CG-CB 4.5Å; R341-R378 PolarHBondContact N-O 3.13Å; R378-R380 VanDerWaalsContact NH2-CZ 3.32Å |
| 379 | R | 76.7 | Confident | 71.7 | Confident | 97 Ų | 97 | 101.1 Ų | 101.1 | 37% | 0.366 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 141.9 | 177.3 | -59.3 | -178.4 | -174.5 | -168.3 | 8.8 | 110 | R339 R341 E358 E360 | R339-R379 VanDerWaalsContact NH1-NE 3.11Å; R341-R379 HydrophobicContact CB-CG 4.34Å; E358-R379 IonicContact OE2-CZ 3.79Å; E358-R379 IonicContact OE2-NE 2.83Å; E358-R379 IonicContact OE2-NH1 3.64Å; E358-R379 PolarHBondContact OE2-NH1 3.5Å; E358-R379 IonicContact OE2-NH2 2.61Å; E358-R379 PolarHBondContact OE2-NH2 3.05Å; E358-R379 VanDerWaalsContact OE2-NH2 3.11Å; E360-R379 IonicContact OE1-NH2 3.01Å; E360-R379 PolarHBondContact OE1-NH2 3.3Å; E360-R379 IonicContact OE2-NH2 2.99Å; E360-R379 PolarHBondContact OE2-NH2 2.98Å |
| 380 | R | 76.5 | Confident | 71.8 | Confident | 132 Ų | 132 | 104.3 Ų | 104.3 | 50% | 0.498 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 120.4 | 168.4 | -70.4 | -171.7 | 173.4 | -173.1 | -9 | 108.3 | R341 R342 R343 R378 | R341-R380 PolarHBondContact O-N 3.45Å; R341-R380 VanDerWaalsContact O-N 3.07Å; R342-R380 CarbonylContact C-O 3.56Å; R342-R380 WeakPolarHBondContact CA-O 3.3Å; R342-R380 HydrophobicContact CG-CB 4.33Å; R343-R380 PolarHBondContact N-O 2.95Å; R378-R380 VanDerWaalsContact NH2-CZ 3.32Å |
| 381 | R | 75.2 | Confident | 71.6 | Confident | 135 Ų | 135 | 105.1 Ų | 105.1 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 139.6 | 175.5 | -62.9 | -175.6 | 177.9 | -171.3 | 1.7 | 108 | R343 | R343-R381 HydrophobicContact CB-CG 4.32Å; R343-R381 WeakPolarHBondContact O-CA 3.3Å |
| 382 | R | 77.2 | Confident | 71.5 | Confident | 155 Ų | 155 | 107.1 Ų | 107.1 | 59% | 0.585 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 116.8 | 169.7 | -178.3 | 173.7 | 178 | 174.4 | 1 | 106.9 | R343 R344 T345 | R343-R382 PolarHBondContact O-N 2.56Å; R344-R382 CarbonylContact C-O 3.59Å; R344-R382 VanDerWaalsContact CA-O 3.29Å; R344-R382 WeakPolarHBondContact CA-O 3.38Å; T345-R382 PolarHBondContact N-O 3.08Å |
| 383 | T | 74.3 | Confident | 71.2 | Confident | 83 Ų | 83 | 110.1 Ų | 110.1 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 143.7 | 170 | -54.8 | 0 | 0 | 0 | 0 | 107.3 | T345 L347 | T345-T383 CarbonylContact O-C 3.54Å; T345-T383 WeakPolarHBondContact O-CA 3.39Å; L347-T383 HydrophobicContact CD1-CG2 3.91Å; L347-T383 HydrophobicContact CG-CG2 4.36Å |
| 384 | T | 80 | Confident | 71.1 | Confident | 51 Ų | 51 | 114 Ų | 114 | 31% | 0.313 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 121.5 | 174.2 | -52.3 | 0 | 0 | 0 | 0 | 105.6 | T345 T346 L347 | T345-T384 PolarHBondContact O-N 2.92Å; T346-T384 VanDerWaalsContact CA-O 3.29Å; T346-T384 WeakPolarHBondContact CA-O 3.31Å; L347-T384 PolarHBondContact N-O 3.14Å |
| 385 | L | 71.3 | Confident | 70.6 | Confident | 126 Ų | 126 | 114.7 Ų | 114.7 | 66% | 0.66 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 135.8 | 172.8 | -58.9 | 176.6 | 0 | 0 | 0 | 107.4 | L347 | L347-L385 HydrophobicContact CB-CD2 4.05Å; L347-L385 HydrophobicContact CD1-CD2 3.97Å |
| 386 | G | 63.2 | Low | 70.1 | Confident | 24 Ų | 24 | 116.2 Ų | 116.2 | 25% | 0.247 | 55% | 0.549 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 162.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L347 | L347-G386 PolarHBondContact O-N 3.09Š|
| 387 | P | 57.5 | Low | 69.2 | Low | 90 Ų | 90 | 113.6 Ų | 113.6 | 58% | 0.584 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 147 | 171.7 | 27.3 | -33.1 | 0 | 0 | 0 | 110.6 | D389 | P387-D389 PolarHBondContact O-N 3.01Š|
| 388 | L | 51.1 | Low | 68.6 | Low | 149 Ų | 149 | 114.3 Ų | 114.3 | 78% | 0.78 | 55% | 0.553 | S | S | * | * | trans | -79.5 | 94.8 | 157.8 | -67.5 | 161.2 | 0 | 0 | 0 | 104.3 | P349 | P349-L388 HydrophobicContact CB-CD2 3.55Å; P349-L388 HydrophobicContact CB-CG 4.5Å | ||
| 389 | D | 43.2 | Very low | 67.8 | Low | 214 Ų | 214 | 114.2 Ų | 114.2 | 100% | 1.144 | 56% | 0.563 | S | S | * | * | trans | -86.6 | 0 | 168.6 | -70.6 | -26.2 | 0 | 0 | 0 | 109.3 | P387 | P387-D389 PolarHBondContact O-N 3.01Š|
Retrieved 389 of 389 residues in 153.6 ms
(Link to these results)