| 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 | 51.7 | Low | 64.1 | Low | 151 Ų | 151 | 103.4 Ų | 103.4 | 74% | 0.744 | 59% | 0.586 | S | S | * | * | 0 | 154 | 0 | -78.3 | 125.1 | 125.5 | 0 | 0 | 108 | E17 | M1-E17 VanDerWaalsContact CA-OE2 3.26Å; M1-E17 WeakPolarHBondContact CA-OE2 3.48Å; M1-E17 HydrophobicContact CB-CB 4.21Å; M1-E17 HydrophobicContact CB-CG 3.93Å; M1-E17 WeakPolarHBondContact CB-OE2 3.45Å; M1-E17 PolarHBondContact N-OE2 3.07Å | |||
| 2 | Y | 52.1 | Low | 65.6 | Low | 187 Ų | 187 | 98.7 Ų | 98.7 | 73% | 0.733 | 56% | 0.555 | S | S | * | * | trans | -104.6 | 149.2 | -173.5 | -66.8 | -87.9 | 0 | 0 | 0 | 110.2 | F4 | Y2-F4 PolarHBondContact O-N 3.38Š| ||
| 3 | D | 60.4 | Low | 66.9 | Low | 121 Ų | 121 | 91.2 Ų | 91.2 | 65% | 0.647 | 51% | 0.513 | S | S | * | . | trans | -67.1 | 122.5 | 171.7 | -52.4 | -75 | 0 | 0 | 0 | 109.7 | ||||
| 4 | F | 68.8 | Low | 68 | Low | 32 Ų | 32 | 88.5 Ų | 88.5 | 14% | 0.14 | 50% | 0.5 | C | S | . | . | B | Isolated β-bridge | trans | -101.9 | 107.1 | 172 | 179.5 | -96.2 | 0 | 0 | 0 | 108 | Y2 E12 L13 T14 V15 W32 P46 Y49 | Y2-F4 PolarHBondContact O-N 3.38Å; F4-E12 HydrophobicContact CE1-CB 4.2Å; F4-E12 HydrophobicContact CZ-CB 4.4Å; F4-E12 HydrophobicContact CZ-CG 4.46Å; F4-L13 VanDerWaalsContact CD1-O 3.25Å; F4-L13 WeakPolarHBondContact CD1-O 3.26Å; F4-L13 WeakPolarHBondContact CE1-O 3.33Å; F4-T14 CarbonylContact O-C 3.54Å; F4-T14 VanDerWaalsContact O-CA 3.22Å; F4-T14 WeakPolarHBondContact O-CA 3.36Å; F4-T14 WeakPolarHBondContact O-CG2 3.22Å; F4-V15 HydrophobicContact CB-CG2 3.68Å; F4-V15 HydrophobicContact CD1-CG2 4.2Å; F4-V15 HydrophobicContact CG-CG2 4.34Å; F4-V15 PolarHBondContact N-O 3.15Å; F4-V15 PolarHBondContact O-N 2.65Å; F4-W32 HydrophobicContact CZ-CZ3 4.38Å; F4-P46 HydrophobicContact CE2-CG 4.37Å; F4-Y49 HydrophobicContact CB-CD1 4.21Å |
| 5 | A | 70.4 | Confident | 68.6 | Low | 77 Ų | 77 | 83.3 Ų | 83.3 | 64% | 0.636 | 47% | 0.471 | S | S | * | . | trans | -91 | 114.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 6 | A | 68.7 | Low | 69.3 | Low | 21 Ų | 21 | 83.1 Ų | 83.1 | 17% | 0.174 | 47% | 0.468 | C | S | . | . | trans | -69.4 | 141.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E12 L13 T14 | A6-E12 HydrophobicContact CB-CB 3.44Å; A6-E12 VanDerWaalsContact CB-CB 3.44Å; A6-E12 WeakPolarHBondContact CB-O 3.27Å; A6-L13 VanDerWaalsContact CB-C 3.46Å; A6-T14 VanDerWaalsContact CB-N 3.28Å; A6-T14 WeakPolarHBondContact CB-OG1 3.49Å; A6-T14 PolarHBondContact N-OG1 3.23Å | ||
| 7 | E | 67.8 | Low | 69.7 | Low | 124 Ų | 124 | 85.5 Ų | 85.5 | 58% | 0.579 | 48% | 0.475 | S | S | * | . | trans | -80.1 | 131.8 | 172.2 | -65.4 | -166.1 | 98.8 | 0 | 0 | 110.8 | G9 N10 | E7-G9 PolarHBondContact O-N 3.03Å; E7-N10 HydrophobicContact CB-CB 4.46Å; E7-N10 PolarHBondContact O-N 2.94Å; E7-N10 PolarHBondContact OE2-ND2 3.26Å | ||
| 8 | P | 59.3 | Low | 70 | Confident | 135 Ų | 135 | 84.9 Ų | 84.9 | 88% | 0.877 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 114.7 | 177.9 | 24 | -31.1 | 0 | 0 | 0 | 110.4 | ||
| 9 | G | 62.1 | Low | 70.6 | Confident | 74 Ų | 74 | 83.5 Ų | 83.5 | 76% | 0.763 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.9 | -7.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | E7 | E7-G9 PolarHBondContact O-N 3.03Š|
| 10 | N | 68.1 | Low | 71.3 | Confident | 90 Ų | 90 | 85.9 Ų | 85.9 | 48% | 0.481 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 7.9 | 179.4 | -78.1 | -30.8 | 0 | 0 | 0 | 114.3 | E7 E12 | E7-N10 HydrophobicContact CB-CB 4.46Å; E7-N10 PolarHBondContact O-N 2.94Å; E7-N10 PolarHBondContact OE2-ND2 3.26Å; N10-E12 HydrophobicContact CB-CG 4.09Å; N10-E12 WeakPolarHBondContact CB-OE2 3.47Å; N10-E12 PolarHBondContact O-N 3.4Å |
| 11 | N | 75.4 | Confident | 72 | Confident | 125 Ų | 125 | 83 Ų | 83 | 67% | 0.668 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 23.7 | -172.4 | -52 | -67.2 | 0 | 0 | 0 | 113.5 | G43 L44 | N11-G43 CarbonylContact O-C 3.36Å; N11-G43 WeakPolarHBondContact O-CA 3.32Å; N11-L44 PolarHBondContact O-N 2.77Å |
| 12 | E | 82.8 | Confident | 73.7 | Confident | 47 Ų | 47 | 80.5 Ų | 80.5 | 22% | 0.22 | 47% | 0.466 | C | S | . | . | B | Isolated β-bridge | trans | -85.4 | 151.4 | 175.8 | -66.9 | 169.6 | 104.6 | 0 | 0 | 110.2 | F4 A6 N10 | F4-E12 HydrophobicContact CE1-CB 4.2Å; F4-E12 HydrophobicContact CZ-CB 4.4Å; F4-E12 HydrophobicContact CZ-CG 4.46Å; A6-E12 HydrophobicContact CB-CB 3.44Å; A6-E12 VanDerWaalsContact CB-CB 3.44Å; A6-E12 WeakPolarHBondContact CB-O 3.27Å; N10-E12 HydrophobicContact CB-CG 4.09Å; N10-E12 WeakPolarHBondContact CB-OE2 3.47Å; N10-E12 PolarHBondContact O-N 3.4Å |
| 13 | L | 82.3 | Confident | 75.4 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.01 | 45% | 0.446 | C | S | . | . | trans | -109.6 | 124.3 | 175.6 | -177.4 | 70.4 | 0 | 0 | 0 | 111 | F4 A6 V15 I21 N37 E41 L44 V45 | F4-L13 VanDerWaalsContact CD1-O 3.25Å; F4-L13 WeakPolarHBondContact CD1-O 3.26Å; F4-L13 WeakPolarHBondContact CE1-O 3.33Å; A6-L13 VanDerWaalsContact CB-C 3.46Å; L13-V15 HydrophobicContact CD2-CG1 4.2Å; L13-V15 HydrophobicContact CG-CG1 4.27Å; L13-V15 PolarHBondContact O-N 3.12Å; L13-I21 HydrophobicContact CD2-CB 4.44Å; L13-I21 HydrophobicContact CD2-CD1 4.29Å; L13-I21 HydrophobicContact CD2-CG2 4.05Å; L13-N37 HydrophobicContact CD1-CB 4.09Å; L13-N37 HydrophobicContact CD2-CB 4.3Å; L13-E41 HydrophobicContact CD1-CB 3.84Å; L13-E41 VanDerWaalsContact CD1-O 3.32Å; L13-E41 WeakPolarHBondContact CD1-O 3.25Å; L13-L44 PolarHBondContact N-O 3.03Å; L13-V45 HydrophobicContact CB-CG2 3.69Å; L13-V45 HydrophobicContact CD2-CG2 3.96Å; L13-V45 HydrophobicContact CG-CG2 4.29Å | ||
| 14 | T | 82.3 | Confident | 76.7 | Confident | 53 Ų | 53 | 72 Ų | 72 | 33% | 0.325 | 44% | 0.435 | S | S | . | . | trans | -66.1 | 123.6 | 173 | -61.9 | 0 | 0 | 0 | 0 | 109.2 | F4 A6 | F4-T14 CarbonylContact O-C 3.54Å; F4-T14 VanDerWaalsContact O-CA 3.22Å; F4-T14 WeakPolarHBondContact O-CA 3.36Å; F4-T14 WeakPolarHBondContact O-CG2 3.22Å; A6-T14 VanDerWaalsContact CB-N 3.28Å; A6-T14 WeakPolarHBondContact CB-OG1 3.49Å; A6-T14 PolarHBondContact N-OG1 3.23Å | ||
| 15 | V | 77 | Confident | 77.5 | Confident | 11 Ų | 11 | 73.5 Ų | 73.5 | 7% | 0.067 | 44% | 0.444 | C | S | . | . | B | Isolated β-bridge | trans | -126.1 | 132.2 | 176.5 | -63 | 0 | 0 | 0 | 0 | 110.1 | F4 L13 I21 V45 | F4-V15 HydrophobicContact CB-CG2 3.68Å; F4-V15 HydrophobicContact CD1-CG2 4.2Å; F4-V15 HydrophobicContact CG-CG2 4.34Å; F4-V15 PolarHBondContact N-O 3.15Å; F4-V15 PolarHBondContact O-N 2.65Å; L13-V15 HydrophobicContact CD2-CG1 4.2Å; L13-V15 HydrophobicContact CG-CG1 4.27Å; L13-V15 PolarHBondContact O-N 3.12Å; V15-I21 HydrophobicContact CG1-CD1 4.08Å; V15-I21 HydrophobicContact CG1-CG2 3.87Å; V15-V45 HydrophobicContact CG1-CG1 4.13Å; V15-V45 HydrophobicContact CG1-CG2 3.84Å; V15-V45 HydrophobicContact CG2-CG1 3.92Å |
| 16 | N | 79.1 | Confident | 78.1 | Confident | 80 Ų | 80 | 73.1 Ų | 73.1 | 43% | 0.428 | 44% | 0.436 | S | S | . | . | trans | -101.3 | 154.8 | 176.8 | -57.4 | -89.9 | 0 | 0 | 0 | 110.1 | G18 E19 | N16-G18 PolarHBondContact O-N 3.35Å; N16-E19 HydrophobicContact CB-CB 4.3Å; N16-E19 PolarHBondContact N-OE1 3.48Å; N16-E19 PolarHBondContact ND2-OE1 2.86Å; N16-E19 VanDerWaalsContact O-CB 3.27Å; N16-E19 WeakPolarHBondContact O-CB 3.34Å; N16-E19 PolarHBondContact O-N 2.97Å | ||
| 17 | E | 76.1 | Confident | 78.7 | Confident | 123 Ų | 123 | 78.8 Ų | 78.8 | 58% | 0.575 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 126.6 | 172.3 | 177.5 | 178.3 | 114.7 | 0 | 0 | 110.4 | M1 E19 | M1-E17 VanDerWaalsContact CA-OE2 3.26Å; M1-E17 WeakPolarHBondContact CA-OE2 3.48Å; M1-E17 HydrophobicContact CB-CB 4.21Å; M1-E17 HydrophobicContact CB-CG 3.93Å; M1-E17 WeakPolarHBondContact CB-OE2 3.45Å; M1-E17 PolarHBondContact N-OE2 3.07Å; E17-E19 VanDerWaalsContact C-N 3.32Å |
| 18 | G | 76.4 | Confident | 79.4 | Confident | 76 Ų | 76 | 75.7 Ų | 75.7 | 78% | 0.784 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | 3.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | N16 | N16-G18 PolarHBondContact O-N 3.35Š|
| 19 | E | 81.8 | Confident | 80.3 | Confident | 58 Ų | 58 | 71.4 Ų | 71.4 | 27% | 0.271 | 43% | 0.433 | S | S | . | . | trans | -78.9 | 128.9 | 173.8 | -171.9 | 159.3 | 48 | 0 | 0 | 111.5 | N16 E17 I21 | N16-E19 HydrophobicContact CB-CB 4.3Å; N16-E19 PolarHBondContact N-OE1 3.48Å; N16-E19 PolarHBondContact ND2-OE1 2.86Å; N16-E19 VanDerWaalsContact O-CB 3.27Å; N16-E19 WeakPolarHBondContact O-CB 3.34Å; N16-E19 PolarHBondContact O-N 2.97Å; E17-E19 VanDerWaalsContact C-N 3.32Å; E19-I21 HydrophobicContact CG-CG2 4.41Å | ||
| 20 | I | 83.9 | Confident | 81.2 | Confident | 131 Ų | 131 | 71.6 Ų | 71.6 | 67% | 0.672 | 44% | 0.435 | S | S | * | . | trans | -88.4 | 116.4 | 173.8 | -57.4 | -75.1 | 0 | 0 | 0 | 108.6 | ||||
| 21 | I | 85.3 | Confident | 82.1 | Confident | 25 Ų | 25 | 69 Ų | 69 | 13% | 0.128 | 43% | 0.43 | C | S | . | . | trans | -105.3 | 148.4 | 170.9 | 67.2 | 173.6 | 0 | 0 | 0 | 110.7 | L13 V15 E19 L33 N37 V45 V50 | L13-I21 HydrophobicContact CD2-CB 4.44Å; L13-I21 HydrophobicContact CD2-CD1 4.29Å; L13-I21 HydrophobicContact CD2-CG2 4.05Å; V15-I21 HydrophobicContact CG1-CD1 4.08Å; V15-I21 HydrophobicContact CG1-CG2 3.87Å; E19-I21 HydrophobicContact CG-CG2 4.41Å; I21-L33 HydrophobicContact CD1-CD1 4.43Å; I21-N37 HydrophobicContact CG2-CB 4.28Å; I21-V45 HydrophobicContact CD1-CB 4.37Å; I21-V45 HydrophobicContact CD1-CG2 3.85Å; I21-V50 HydrophobicContact CD1-CG1 3.84Å | ||
| 22 | T | 88.3 | Confident | 82.6 | Confident | 98 Ų | 98 | 67.5 Ų | 67.5 | 60% | 0.601 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 114.2 | 173.7 | -55.5 | 0 | 0 | 0 | 0 | 109.1 | T24 G35 R36 | T22-T24 PolarHBondContact O-N 2.99Å; T22-T24 PolarHBondContact O-OG1 3.01Å; T22-G35 CarbonylContact O-C 3.47Å; T22-G35 WeakPolarHBondContact O-CA 3.07Å; T22-R36 PolarHBondContact N-O 3.02Å; T22-R36 PolarHBondContact O-N 3.49Å |
| 23 | I | 86.7 | Confident | 82.9 | Confident | 62 Ų | 62 | 65.3 Ų | 65.3 | 32% | 0.318 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 118.5 | 174.9 | -56.1 | 177 | 0 | 0 | 0 | 108.2 | P26 L33 I52 | I23-P26 HydrophobicContact CG2-CB 3.96Å; I23-P26 HydrophobicContact CG2-CG 4.35Å; I23-L33 HydrophobicContact CD1-CD2 4.31Å; I23-L33 HydrophobicContact CG1-CD1 4.31Å; I23-I52 HydrophobicContact CD1-CD1 4.46Å; I23-I52 HydrophobicContact CD1-CG1 3.91Å; I23-I52 HydrophobicContact CD1-CG2 4.43Å |
| 24 | T | 88.1 | Confident | 83.2 | Confident | 68 Ų | 68 | 68.2 Ų | 68.2 | 42% | 0.417 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -35.6 | 178.6 | -46.2 | 0 | 0 | 0 | 0 | 110.5 | T22 E34 | T22-T24 PolarHBondContact O-N 2.99Å; T22-T24 PolarHBondContact O-OG1 3.01Å; T24-E34 PolarHBondContact N-O 2.76Å |
| 25 | N | 86.7 | Confident | 83.5 | Confident | 63 Ų | 63 | 65.7 Ų | 65.7 | 34% | 0.337 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 104.8 | 174.8 | -174.1 | 2.9 | 0 | 0 | 0 | 111.2 | D27 V28 L33 E34 | N25-D27 VanDerWaalsContact C-N 3.31Å; N25-D27 PolarHBondContact OD1-N 3.07Å; N25-V28 HydrophobicContact CB-CG2 4.33Å; N25-L33 CarbonylContact O-C 3.58Å; N25-L33 WeakPolarHBondContact O-CA 3.47Å; N25-E34 HydrophobicContact CB-CB 3.89Å; N25-E34 PolarHBondContact N-O 3.4Å; N25-E34 PolarHBondContact O-N 2.89Å |
| 26 | P | 82.9 | Confident | 84 | Confident | 70 Ų | 70 | 70.3 Ų | 70.3 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | -14.1 | 175.8 | 29.4 | -30.9 | 0 | 0 | 0 | 114 | I23 | I23-P26 HydrophobicContact CG2-CB 3.96Å; I23-P26 HydrophobicContact CG2-CG 4.35Å |
| 27 | D | 81.3 | Confident | 84.4 | Confident | 140 Ų | 140 | 66.9 Ų | 66.9 | 75% | 0.749 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 43.2 | -171.6 | -68.9 | -80.3 | 0 | 0 | 0 | 112.2 | N25 G29 | N25-D27 VanDerWaalsContact C-N 3.31Å; N25-D27 PolarHBondContact OD1-N 3.07Å; D27-G29 PolarHBondContact O-N 3.22Å |
| 28 | V | 81.9 | Confident | 84.7 | Confident | 58 Ų | 58 | 68.2 Ų | 68.2 | 35% | 0.352 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | -26.6 | 173.4 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | N25 W32 E34 L44 | N25-V28 HydrophobicContact CB-CG2 4.33Å; V28-W32 HydrophobicContact CB-CB 4.37Å; V28-W32 WeakPolarHBondContact CB-O 3.44Å; V28-W32 HydrophobicContact CG1-CB 4.46Å; V28-E34 HydrophobicContact CG2-CB 3.88Å; V28-L44 HydrophobicContact CB-CD2 4.24Å; V28-L44 HydrophobicContact CG1-CD1 4.48Å; V28-L44 HydrophobicContact CG1-CD2 3.68Å; V28-L44 HydrophobicContact CG2-CD2 3.84Å |
| 29 | G | 78.4 | Confident | 85 | Confident | 45 Ų | 45 | 72.1 Ų | 72.1 | 46% | 0.464 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 92.6 | 157.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D27 G31 W32 | D27-G29 PolarHBondContact O-N 3.22Å; G29-G31 VanDerWaalsContact C-N 3.32Å; G29-G31 PolarHBondContact O-N 2.93Å; G29-W32 PolarHBondContact O-N 3.31Å |
| 30 | G | 81.6 | Confident | 85.1 | Confident | 79 Ų | 79 | 70.6 Ų | 70.6 | 81% | 0.814 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 22 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | W32 | G30-W32 VanDerWaalsContact O-CD1 3.32Š|
| 31 | G | 85.2 | Confident | 85.1 | Confident | 36 Ų | 36 | 69.2 Ų | 69.2 | 37% | 0.371 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | 19 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G29 T47 | G29-G31 VanDerWaalsContact C-N 3.32Å; G29-G31 PolarHBondContact O-N 2.93Å; G31-T47 PolarHBondContact O-N 2.81Å; G31-T47 PolarHBondContact O-OG1 3.42Å |
| 32 | W | 87 | Confident | 85.1 | Confident | 93 Ų | 93 | 74.9 Ų | 74.9 | 35% | 0.352 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 145.3 | 176.2 | -63.8 | 85.1 | 0 | 0 | 0 | 110.7 | F4 V28 G29 G30 L44 P46 | F4-W32 HydrophobicContact CZ-CZ3 4.38Å; V28-W32 HydrophobicContact CB-CB 4.37Å; V28-W32 WeakPolarHBondContact CB-O 3.44Å; V28-W32 HydrophobicContact CG1-CB 4.46Å; G29-W32 PolarHBondContact O-N 3.31Å; G30-W32 VanDerWaalsContact O-CD1 3.32Å; W32-L44 HydrophobicContact CE3-CB 3.8Å; W32-L44 HydrophobicContact CZ3-CB 4.32Å; W32-P46 HydrophobicContact CE3-CB 4.25Å; W32-P46 HydrophobicContact CH2-CB 4.43Å; W32-P46 HydrophobicContact CZ3-CB 4.2Å; W32-P46 HydrophobicContact CZ3-CG 4.2Å |
| 33 | L | 88.2 | Confident | 85 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 146.9 | 169.6 | 58.3 | 84.4 | 0 | 0 | 0 | 110.2 | I21 I23 N25 L44 V45 T47 V50 | I21-L33 HydrophobicContact CD1-CD1 4.43Å; I23-L33 HydrophobicContact CD1-CD2 4.31Å; I23-L33 HydrophobicContact CG1-CD1 4.31Å; N25-L33 CarbonylContact O-C 3.58Å; N25-L33 WeakPolarHBondContact O-CA 3.47Å; L33-L44 CarbonylContact O-C 3.53Å; L33-L44 WeakPolarHBondContact O-CA 3.11Å; L33-V45 HydrophobicContact CD1-CB 4.01Å; L33-V45 WeakPolarHBondContact CG-O 3.38Å; L33-V45 PolarHBondContact N-O 2.99Å; L33-V45 PolarHBondContact O-N 3.06Å; L33-T47 HydrophobicContact CD2-CG2 3.67Å; L33-T47 HydrophobicContact CG-CG2 4.26Å; L33-V50 HydrophobicContact CD1-CG2 4Å; L33-V50 HydrophobicContact CD2-CG2 3.29Å; L33-V50 HydrophobicContact CG-CG2 3.94Å |
| 34 | E | 88.8 | Confident | 85.1 | Confident | 62 Ų | 62 | 69.3 Ų | 69.3 | 29% | 0.29 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 119.2 | 172.7 | -164.3 | -179 | 85.2 | 0 | 0 | 109.1 | T24 N25 V28 G43 L44 | T24-E34 PolarHBondContact N-O 2.76Å; N25-E34 HydrophobicContact CB-CB 3.89Å; N25-E34 PolarHBondContact N-O 3.4Å; N25-E34 PolarHBondContact O-N 2.89Å; V28-E34 HydrophobicContact CG2-CB 3.88Å; E34-G43 WeakPolarHBondContact CA-O 3.4Å; E34-L44 HydrophobicContact CB-CD2 4.11Å; E34-L44 HydrophobicContact CG-CD2 4.39Å |
| 35 | G | 88.6 | Confident | 85 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 166.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T22 R42 G43 | T22-G35 CarbonylContact O-C 3.47Å; T22-G35 WeakPolarHBondContact O-CA 3.07Å; G35-R42 VanDerWaalsContact O-CA 3.25Å; G35-R42 WeakPolarHBondContact O-CA 3.32Å; G35-G43 PolarHBondContact N-O 2.89Å; G35-G43 PolarHBondContact O-N 3.36Å |
| 36 | R | 88.5 | Confident | 84.9 | Confident | 108 Ų | 108 | 63.8 Ų | 63.8 | 41% | 0.408 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 126.7 | 168.2 | -171.4 | 177.5 | -171.7 | -148.8 | -9.2 | 109.9 | T22 G40 E41 R42 | T22-R36 PolarHBondContact N-O 3.02Å; T22-R36 PolarHBondContact O-N 3.49Å; R36-G40 PolarHBondContact NE-O 3.02Å; R36-E41 CarbonylContact C-O 3.56Å; R36-E41 VanDerWaalsContact CA-O 3.25Å; R36-E41 WeakPolarHBondContact CA-O 3.25Å; R36-E41 WeakPolarHBondContact CG-O 3.34Å; R36-R42 HydrophobicContact CB-CG 3.91Å; R36-R42 HydrophobicContact CG-CG 3.69Å |
| 37 | N | 86.2 | Confident | 84.9 | Confident | 8 Ų | 8 | 63.1 Ų | 63.1 | 4% | 0.043 | 35% | 0.347 | C | S | . | . | trans | -81.6 | 173.1 | 175.3 | 72.3 | 9.6 | 0 | 0 | 0 | 111.8 | L13 I21 K39 G40 E41 | L13-N37 HydrophobicContact CD1-CB 4.09Å; L13-N37 HydrophobicContact CD2-CB 4.3Å; I21-N37 HydrophobicContact CG2-CB 4.28Å; N37-K39 PolarHBondContact O-N 2.95Å; N37-K39 WeakPolarHBondContact OD1-CA 3.37Å; N37-K39 WeakPolarHBondContact OD1-CB 2.99Å; N37-K39 PolarHBondContact OD1-N 2.83Å; N37-K39 VanDerWaalsContact OD1-N 3.08Å; N37-G40 PolarHBondContact O-N 3.29Å; N37-G40 PolarHBondContact OD1-N 3.07Å; N37-E41 PolarHBondContact N-O 2.99Å; N37-E41 PolarHBondContact ND2-OE2 2.71Å; N37-E41 WeakPolarHBondContact OD1-CB 3.46Å; N37-E41 PolarHBondContact OD1-N 3.35Å; N37-E41 PolarHBondContact OD1-O 2.87Å | ||
| 38 | I | 83 | Confident | 85 | Confident | 151 Ų | 151 | 63.6 Ų | 63.6 | 77% | 0.774 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -25 | 177.8 | -166.6 | 162.3 | 0 | 0 | 0 | 113.3 | G40 | I38-G40 PolarHBondContact O-N 2.95Š|
| 39 | K | 82.9 | Confident | 84.8 | Confident | 159 Ų | 159 | 66 Ų | 66 | 69% | 0.691 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -11.9 | 173.4 | -69.1 | 159.6 | 131.8 | -83.4 | 0 | 112.2 | N37 E41 | N37-K39 PolarHBondContact O-N 2.95Å; N37-K39 WeakPolarHBondContact OD1-CA 3.37Å; N37-K39 WeakPolarHBondContact OD1-CB 2.99Å; N37-K39 PolarHBondContact OD1-N 2.83Å; N37-K39 VanDerWaalsContact OD1-N 3.08Å; K39-E41 HydrophobicContact CB-CG 4.35Å |
| 40 | G | 83.2 | Confident | 84.7 | Confident | 26 Ų | 26 | 65.4 Ų | 65.4 | 27% | 0.268 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 90.3 | 1.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | R36 N37 I38 | R36-G40 PolarHBondContact NE-O 3.02Å; N37-G40 PolarHBondContact O-N 3.29Å; N37-G40 PolarHBondContact OD1-N 3.07Å; I38-G40 PolarHBondContact O-N 2.95Å |
| 41 | E | 83.4 | Confident | 84.6 | Confident | 102 Ų | 102 | 68.4 Ų | 68.4 | 48% | 0.477 | 33% | 0.332 | S | S | . | . | trans | -73.3 | 143 | 175.3 | -58.3 | 168 | 117.5 | 0 | 0 | 109.3 | L13 R36 N37 K39 | L13-E41 HydrophobicContact CD1-CB 3.84Å; L13-E41 VanDerWaalsContact CD1-O 3.32Å; L13-E41 WeakPolarHBondContact CD1-O 3.25Å; R36-E41 CarbonylContact C-O 3.56Å; R36-E41 VanDerWaalsContact CA-O 3.25Å; R36-E41 WeakPolarHBondContact CA-O 3.25Å; R36-E41 WeakPolarHBondContact CG-O 3.34Å; N37-E41 PolarHBondContact N-O 2.99Å; N37-E41 PolarHBondContact ND2-OE2 2.71Å; N37-E41 WeakPolarHBondContact OD1-CB 3.46Å; N37-E41 PolarHBondContact OD1-N 3.35Å; N37-E41 PolarHBondContact OD1-O 2.87Å; K39-E41 HydrophobicContact CB-CG 4.35Å | ||
| 42 | R | 86.3 | Confident | 84.2 | Confident | 144 Ų | 144 | 71.6 Ų | 71.6 | 54% | 0.543 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 146.8 | 179.9 | -60.2 | -178.6 | -168.4 | -170.5 | 1 | 109.3 | G35 R36 | G35-R42 VanDerWaalsContact O-CA 3.25Å; G35-R42 WeakPolarHBondContact O-CA 3.32Å; R36-R42 HydrophobicContact CB-CG 3.91Å; R36-R42 HydrophobicContact CG-CG 3.69Å |
| 43 | G | 87.1 | Confident | 83.6 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.7 | 177.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | N11 E34 G35 | N11-G43 CarbonylContact O-C 3.36Å; N11-G43 WeakPolarHBondContact O-CA 3.32Å; E34-G43 WeakPolarHBondContact CA-O 3.4Å; G35-G43 PolarHBondContact N-O 2.89Å; G35-G43 PolarHBondContact O-N 3.36Å |
| 44 | L | 87.8 | Confident | 82.4 | Confident | 40 Ų | 40 | 78 Ų | 78 | 21% | 0.209 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 131.8 | -179.8 | -57.8 | -176.7 | 0 | 0 | 0 | 109.4 | N11 L13 V28 W32 L33 E34 | N11-L44 PolarHBondContact O-N 2.77Å; L13-L44 PolarHBondContact N-O 3.03Å; V28-L44 HydrophobicContact CB-CD2 4.24Å; V28-L44 HydrophobicContact CG1-CD1 4.48Å; V28-L44 HydrophobicContact CG1-CD2 3.68Å; V28-L44 HydrophobicContact CG2-CD2 3.84Å; W32-L44 HydrophobicContact CE3-CB 3.8Å; W32-L44 HydrophobicContact CZ3-CB 4.32Å; L33-L44 CarbonylContact O-C 3.53Å; L33-L44 WeakPolarHBondContact O-CA 3.11Å; E34-L44 HydrophobicContact CB-CD2 4.11Å; E34-L44 HydrophobicContact CG-CD2 4.39Å |
| 45 | V | 85.2 | Confident | 80.9 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 131.9 | 174.8 | -170 | 0 | 0 | 0 | 0 | 106.9 | L13 V15 I21 L33 V50 | L13-V45 HydrophobicContact CB-CG2 3.69Å; L13-V45 HydrophobicContact CD2-CG2 3.96Å; L13-V45 HydrophobicContact CG-CG2 4.29Å; V15-V45 HydrophobicContact CG1-CG1 4.13Å; V15-V45 HydrophobicContact CG1-CG2 3.84Å; V15-V45 HydrophobicContact CG2-CG1 3.92Å; I21-V45 HydrophobicContact CD1-CB 4.37Å; I21-V45 HydrophobicContact CD1-CG2 3.85Å; L33-V45 HydrophobicContact CD1-CB 4.01Å; L33-V45 WeakPolarHBondContact CG-O 3.38Å; L33-V45 PolarHBondContact N-O 2.99Å; L33-V45 PolarHBondContact O-N 3.06Å; V45-V50 HydrophobicContact CB-CG1 4.3Å; V45-V50 HydrophobicContact CG1-CG1 3.42Å; V45-V50 VanDerWaalsContact CG1-CG1 3.42Å |
| 46 | P | 85.1 | Confident | 79.5 | Confident | 15 Ų | 15 | 88.6 Ų | 88.6 | 10% | 0.097 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 137.8 | 175.5 | 24.4 | -30.2 | 0 | 0 | 0 | 110.1 | F4 W32 D48 Y49 | F4-P46 HydrophobicContact CE2-CG 4.37Å; W32-P46 HydrophobicContact CE3-CB 4.25Å; W32-P46 HydrophobicContact CH2-CB 4.43Å; W32-P46 HydrophobicContact CZ3-CB 4.2Å; W32-P46 HydrophobicContact CZ3-CG 4.2Å; P46-D48 PolarHBondContact O-N 3.19Å; P46-D48 VanDerWaalsContact O-N 3.12Å; P46-Y49 HydrophobicContact CB-CD2 4.1Å; P46-Y49 HydrophobicContact CG-CD2 3.4Å; P46-Y49 VanDerWaalsContact CG-CD2 3.4Å; P46-Y49 HydrophobicContact CG-CE2 4.07Å; P46-Y49 HydrophobicContact CG-CG 3.95Å; P46-Y49 PolarHBondContact O-N 2.76Å |
| 47 | T | 83.9 | Confident | 78.1 | Confident | 57 Ų | 57 | 86 Ų | 86 | 35% | 0.35 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -58.8 | -24.7 | 178.4 | 48 | 0 | 0 | 0 | 0 | 112.9 | G31 L33 Y49 V50 | G31-T47 PolarHBondContact O-N 2.81Å; G31-T47 PolarHBondContact O-OG1 3.42Å; L33-T47 HydrophobicContact CD2-CG2 3.67Å; L33-T47 HydrophobicContact CG-CG2 4.26Å; T47-Y49 PolarHBondContact O-N 2.89Å; T47-V50 PolarHBondContact O-N 3.33Å |
| 48 | D | 82.9 | Confident | 76.4 | Confident | 149 Ų | 149 | 93.7 Ų | 93.7 | 80% | 0.797 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -66.4 | -21.6 | 174.9 | -78.8 | -96.2 | 0 | 0 | 0 | 114 | P46 | P46-D48 PolarHBondContact O-N 3.19Å; P46-D48 VanDerWaalsContact O-N 3.12Å |
| 49 | Y | 78 | Confident | 75.3 | Confident | 110 Ų | 110 | 93.5 Ų | 93.5 | 43% | 0.431 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -101.6 | -5.4 | -176.9 | -75.6 | -108.1 | 0 | 0 | 0 | 113.1 | F4 P46 T47 | F4-Y49 HydrophobicContact CB-CD1 4.21Å; P46-Y49 HydrophobicContact CB-CD2 4.1Å; P46-Y49 HydrophobicContact CG-CD2 3.4Å; P46-Y49 VanDerWaalsContact CG-CD2 3.4Å; P46-Y49 HydrophobicContact CG-CE2 4.07Å; P46-Y49 HydrophobicContact CG-CG 3.95Å; P46-Y49 PolarHBondContact O-N 2.76Å; T47-Y49 PolarHBondContact O-N 2.89Å |
| 50 | V | 76.8 | Confident | 74.1 | Confident | 31 Ų | 31 | 93.2 Ų | 93.2 | 19% | 0.188 | 50% | 0.496 | C | S | . | . | trans | -127.6 | 135.8 | -178.9 | -67.2 | 0 | 0 | 0 | 0 | 110.4 | I21 L33 V45 T47 | I21-V50 HydrophobicContact CD1-CG1 3.84Å; L33-V50 HydrophobicContact CD1-CG2 4Å; L33-V50 HydrophobicContact CD2-CG2 3.29Å; L33-V50 HydrophobicContact CG-CG2 3.94Å; V45-V50 HydrophobicContact CB-CG1 4.3Å; V45-V50 HydrophobicContact CG1-CG1 3.42Å; V45-V50 VanDerWaalsContact CG1-CG1 3.42Å; T47-V50 PolarHBondContact O-N 3.33Å | ||
| 51 | E | 79.6 | Confident | 72.9 | Confident | 142 Ų | 142 | 101.9 Ų | 101.9 | 66% | 0.664 | 53% | 0.527 | S | S | * | . | trans | -98 | 115.7 | 173.3 | -165.8 | 173.3 | 142.8 | 0 | 0 | 108.2 | L53 | E51-L53 PolarHBondContact O-N 3.08Š| ||
| 52 | I | 76.4 | Confident | 71.3 | Confident | 104 Ų | 104 | 102.7 Ų | 102.7 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | trans | -71.4 | 103.5 | 172 | -55.9 | 177.6 | 0 | 0 | 0 | 106.4 | I23 P54 | I23-I52 HydrophobicContact CD1-CD1 4.46Å; I23-I52 HydrophobicContact CD1-CG1 3.91Å; I23-I52 HydrophobicContact CD1-CG2 4.43Å; I52-P54 WeakPolarHBondContact O-CD 3.25Å | ||
| 53 | L | 72.9 | Confident | 69.6 | Low | 116 Ų | 116 | 105 Ų | 105 | 61% | 0.607 | 58% | 0.58 | S | S | * | * | trans | -61.4 | 120.6 | 175 | -64.6 | 176.6 | 0 | 0 | 0 | 108.4 | E51 S55 | E51-L53 PolarHBondContact O-N 3.08Å; L53-S55 PolarHBondContact O-N 3.26Å | ||
| 54 | P | 64.8 | Low | 68.7 | Low | 113 Ų | 113 | 110.2 Ų | 110.2 | 73% | 0.734 | 61% | 0.608 | S | S | * | * | trans | -63 | 116.4 | 173.9 | 24.4 | -30.2 | 0 | 0 | 0 | 107.8 | I52 D56 | I52-P54 WeakPolarHBondContact O-CD 3.25Å; P54-D56 VanDerWaalsContact C-N 3.32Å; P54-D56 PolarHBondContact O-N 3.06Å | ||
| 55 | S | 55.4 | Low | 67.7 | Low | 118 Ų | 118 | 113.9 Ų | 113.9 | 83% | 0.825 | 63% | 0.629 | S | S | * | * | trans | -63.6 | 101.2 | 163.6 | -57.5 | 0 | 0 | 0 | 0 | 106.5 | L53 G57 | L53-S55 PolarHBondContact O-N 3.26Å; S55-G57 PolarHBondContact O-N 3.3Å | ||
| 56 | D | 61 | Low | 66.7 | Low | 166 Ų | 166 | 120.2 Ų | 120.2 | 89% | 0.888 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -22.6 | 116.2 | 176 | -168.1 | -107 | 0 | 0 | 0 | 113.3 | P54 | P54-D56 VanDerWaalsContact C-N 3.32Å; P54-D56 PolarHBondContact O-N 3.06Å |
| 57 | G | 57.2 | Low | 65.6 | Low | 54 Ų | 54 | 126.4 Ų | 126.4 | 56% | 0.557 | 70% | 0.698 | S | S | * | * | trans | 126.7 | 83.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S55 | S55-G57 PolarHBondContact O-N 3.3Š| ||
| 58 | K | 52.3 | Low | 64.5 | Low | 168 Ų | 168 | 130.8 Ų | 130.8 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | trans | 175.1 | 58.2 | 130.2 | -77 | -115 | -175.1 | 79.4 | 0 | 111.3 | Q60 | K58-Q60 HydrophobicContact CD-CG 4.28Å; K58-Q60 PolarHBondContact O-N 3.07Å; K58-Q60 VanDerWaalsContact O-N 3.15Å | ||
| 59 | D | 58.1 | Low | 63.3 | Low | 147 Ų | 147 | 129.5 Ų | 129.5 | 79% | 0.786 | 71% | 0.714 | S | S | * | * | trans | -81 | 66.9 | 152.7 | 22.3 | -95.5 | 0 | 0 | 0 | 108.5 | F61 | D59-F61 PolarHBondContact O-N 3.29Š| ||
| 60 | Q | 57.7 | Low | 62.2 | Low | 153 Ų | 153 | 130.9 Ų | 130.9 | 72% | 0.715 | 73% | 0.734 | S | S | * | * | trans | -85.8 | 19.3 | 173.3 | -71.8 | -167.3 | 18.2 | 0 | 0 | 113.4 | K58 | K58-Q60 HydrophobicContact CD-CG 4.28Å; K58-Q60 PolarHBondContact O-N 3.07Å; K58-Q60 VanDerWaalsContact O-N 3.15Å | ||
| 61 | F | 58 | Low | 61.1 | Low | 209 Ų | 209 | 138.6 Ų | 138.6 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | trans | -103.8 | 59.3 | 168.4 | -67.6 | -81 | 0 | 0 | 0 | 110 | D59 | D59-F61 PolarHBondContact O-N 3.29Š| ||
| 62 | S | 51.8 | Low | 59.6 | Low | 119 Ų | 119 | 138.3 Ų | 138.3 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -90.8 | 105.5 | 151 | -163.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 63 | C | 48.9 | Very low | 58 | Low | 193 Ų | 193 | 141.5 Ų | 141.5 | 100% | 1.304 | 81% | 0.809 | S | S | * | * | trans | -68 | 0 | -179.1 | -161.7 | 0 | 0 | 0 | 0 | 112.7 |
Retrieved 63 of 63 residues in 120.4 ms
(Link to these results)