| 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 | 36.1 | Very low | 37.6 | Very low | 241 Ų | 241 | 102.4 Ų | 102.4 | 100% | 1.187 | 61% | 0.613 | S | S | * | * | 0 | 120.9 | 0 | -84.8 | -179.5 | 142.1 | 0 | 0 | 107.9 | L3 | M1-L3 PolarHBondContact O-N 3.3Š| |||
| 2 | C | 32.3 | Very low | 37.5 | Very low | 90 Ų | 90 | 99.1 Ų | 99.1 | 61% | 0.608 | 61% | 0.606 | S | S | * | * | trans | -86.9 | 110.9 | -173.4 | -141.9 | 0 | 0 | 0 | 0 | 109.3 | I4 | C2-I4 VanDerWaalsContact C-N 3.28Å; C2-I4 PolarHBondContact O-N 3.4Å | ||
| 3 | L | 38.8 | Very low | 37.5 | Very low | 72 Ų | 72 | 97.9 Ų | 97.9 | 38% | 0.377 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -76.7 | -13.4 | -165.5 | -146.3 | 92.2 | 0 | 0 | 0 | 114.4 | M1 F7 P20 | M1-L3 PolarHBondContact O-N 3.3Å; L3-F7 WeakPolarHBondContact O-CE2 3.38Å; L3-P20 VanDerWaalsContact CD1-CD 3.43Å; L3-P20 HydrophobicContact CD1-CG 4.02Å |
| 4 | I | 40.7 | Very low | 37.7 | Very low | 86 Ų | 86 | 96.9 Ų | 96.9 | 44% | 0.441 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -82.2 | -19.9 | -171.3 | -59.6 | 166.7 | 0 | 0 | 0 | 111.5 | C2 S6 | C2-I4 VanDerWaalsContact C-N 3.28Å; C2-I4 PolarHBondContact O-N 3.4Å; I4-S6 PolarHBondContact O-N 3.29Å |
| 5 | C | 35.8 | Very low | 38.2 | Very low | 81 Ų | 81 | 94.7 Ų | 94.7 | 55% | 0.547 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -71.6 | -11.8 | -175.6 | -68.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 6 | S | 36.8 | Very low | 38.5 | Very low | 96 Ų | 96 | 96.3 Ų | 96.3 | 67% | 0.671 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -93.3 | -8.5 | -174.6 | -56 | 0 | 0 | 0 | 0 | 114.4 | I4 | I4-S6 PolarHBondContact O-N 3.29Š|
| 7 | F | 40.4 | Very low | 38.8 | Very low | 50 Ų | 50 | 91.2 Ų | 91.2 | 22% | 0.219 | 56% | 0.561 | C | S | . | * | S | Bend | trans | -97.3 | -7.5 | -168.8 | -63.6 | -56.2 | 0 | 0 | 0 | 116.1 | L3 N9 I15 A17 I26 | L3-F7 WeakPolarHBondContact O-CE2 3.38Å; F7-N9 VanDerWaalsContact C-N 3.25Å; F7-N9 PolarHBondContact O-N 3.37Å; F7-I15 HydrophobicContact CD1-CG2 4.33Å; F7-A17 HydrophobicContact CD1-CB 3.39Å; F7-A17 HydrophobicContact CD2-CB 4.31Å; F7-A17 HydrophobicContact CE1-CB 2.8Å; F7-A17 HydrophobicContact CE2-CB 3.77Å; F7-A17 HydrophobicContact CG-CB 4.16Å; F7-A17 HydrophobicContact CZ-CB 3.01Å; F7-I26 HydrophobicContact CD2-CD1 4.22Å; F7-I26 HydrophobicContact CE2-CD1 4.18Å |
| 8 | V | 39.4 | Very low | 39 | Very low | 87 Ų | 87 | 92.1 Ų | 92.1 | 53% | 0.527 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.3 | 3.2 | -171.1 | -161.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 9 | N | 39.8 | Very low | 39.2 | Very low | 142 Ų | 142 | 88.4 Ų | 88.4 | 76% | 0.759 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | 28.8 | -168.4 | -154.1 | 53.4 | 0 | 0 | 0 | 116.6 | F7 | F7-N9 VanDerWaalsContact C-N 3.25Å; F7-N9 PolarHBondContact O-N 3.37Å |
| 10 | S | 34.8 | Very low | 39.3 | Very low | 68 Ų | 68 | 89.6 Ų | 89.6 | 48% | 0.476 | 56% | 0.561 | S | S | . | * | trans | -136.8 | 111.9 | 169.2 | -145.1 | 0 | 0 | 0 | 0 | 111.6 | A12 | S10-A12 PolarHBondContact O-N 3.17Š| ||
| 11 | A | 38.4 | Very low | 39.5 | Very low | 113 Ų | 113 | 90.9 Ų | 90.9 | 93% | 0.934 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -71.7 | 34 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 12 | A | 36.3 | Very low | 40.1 | Very low | 63 Ų | 63 | 82.2 Ų | 82.2 | 52% | 0.521 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -147 | 114.7 | -175 | 0 | 0 | 0 | 0 | 0 | 110.1 | S10 | S10-A12 PolarHBondContact O-N 3.17Š|
| 13 | A | 37.5 | Very low | 41.4 | Very low | 84 Ų | 84 | 84.9 Ų | 84.9 | 69% | 0.694 | 55% | 0.545 | S | S | * | . | S | Bend | trans | 59.3 | 151.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | I15 | A13-I15 PolarHBondContact O-N 2.79Š|
| 14 | P | 41.2 | Very low | 42.3 | Very low | 83 Ų | 83 | 85.2 Ų | 85.2 | 54% | 0.539 | 54% | 0.544 | S | S | . | . | trans | -60.9 | 105.6 | 169.3 | 25.4 | -32.6 | 0 | 0 | 0 | 108.6 | I16 I27 | P14-I16 PolarHBondContact O-N 3.28Å; P14-I27 HydrophobicContact CB-CG2 4.39Å | ||
| 15 | I | 44 | Very low | 43.4 | Very low | 64 Ų | 64 | 82.9 Ų | 82.9 | 33% | 0.328 | 54% | 0.535 | S | S | . | . | trans | -75.7 | 98.1 | 176.1 | -59.8 | 178.3 | 0 | 0 | 0 | 107.1 | F7 A13 A17 | F7-I15 HydrophobicContact CD1-CG2 4.33Å; A13-I15 PolarHBondContact O-N 2.79Å; I15-A17 HydrophobicContact CG2-CB 4.22Å; I15-A17 PolarHBondContact O-N 2.94Å | ||
| 16 | I | 43.8 | Very low | 44.9 | Very low | 120 Ų | 120 | 80.1 Ų | 80.1 | 62% | 0.615 | 52% | 0.515 | S | S | * | . | trans | -69.3 | 100.7 | 165.4 | -55.7 | 172.2 | 0 | 0 | 0 | 106.1 | P14 | P14-I16 PolarHBondContact O-N 3.28Š| ||
| 17 | A | 44.2 | Very low | 46.4 | Very low | 11 Ų | 11 | 78.7 Ų | 78.7 | 9% | 0.091 | 50% | 0.499 | C | S | . | . | trans | -105.2 | 111.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F7 I15 G19 | F7-A17 HydrophobicContact CD1-CB 3.39Å; F7-A17 HydrophobicContact CD2-CB 4.31Å; F7-A17 HydrophobicContact CE1-CB 2.8Å; F7-A17 HydrophobicContact CE2-CB 3.77Å; F7-A17 HydrophobicContact CG-CB 4.16Å; F7-A17 HydrophobicContact CZ-CB 3.01Å; I15-A17 HydrophobicContact CG2-CB 4.22Å; I15-A17 PolarHBondContact O-N 2.94Å; A17-G19 PolarHBondContact O-N 3.09Å | ||
| 18 | S | 41.5 | Very low | 47.7 | Very low | 107 Ų | 107 | 78 Ų | 78 | 75% | 0.748 | 50% | 0.5 | S | S | * | . | trans | -75.2 | 110.6 | 169.9 | 54.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 19 | G | 43.5 | Very low | 48.9 | Very low | 21 Ų | 21 | 77.5 Ų | 77.5 | 22% | 0.216 | 50% | 0.501 | C | S | . | . | trans | -74.3 | 156.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A17 S21 | A17-G19 PolarHBondContact O-N 3.09Å; G19-S21 VanDerWaalsContact C-N 3.28Å; G19-S21 PolarHBondContact O-N 3.04Å | ||
| 20 | P | 41.1 | Very low | 50.2 | Low | 112 Ų | 112 | 77.2 Ų | 77.2 | 73% | 0.727 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 84 | 178.5 | 32.5 | -30.9 | 0 | 0 | 0 | 109.3 | L3 | L3-P20 VanDerWaalsContact CD1-CD 3.43Å; L3-P20 HydrophobicContact CD1-CG 4.02Å |
| 21 | S | 42.2 | Very low | 51.7 | Low | 118 Ų | 118 | 76.6 Ų | 76.6 | 83% | 0.825 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 152.5 | 4 | 147.6 | 73 | 0 | 0 | 0 | 0 | 114.3 | G19 | G19-S21 VanDerWaalsContact C-N 3.28Å; G19-S21 PolarHBondContact O-N 3.04Å |
| 22 | S | 49.5 | Very low | 53.1 | Low | 59 Ų | 59 | 78.3 Ų | 78.3 | 41% | 0.413 | 48% | 0.482 | S | S | . | . | trans | -143.2 | 128.4 | -163.1 | -136.9 | 0 | 0 | 0 | 0 | 111.5 | F24 | S22-F24 VanDerWaalsContact CB-CD2 3.48Å; S22-F24 PolarHBondContact O-N 2.92Å; S22-F24 WeakPolarHBondContact OG-CD2 3.4Å; S22-F24 WeakPolarHBondContact OG-CE2 3.35Å | ||
| 23 | N | 60.3 | Low | 54.6 | Low | 145 Ų | 145 | 79.1 Ų | 79.1 | 78% | 0.775 | 48% | 0.481 | S | S | * | . | trans | -63.5 | 27.6 | -178.2 | -65 | -56.6 | 0 | 0 | 0 | 113.7 | E41 | N23-E41 CarbonylContact O-C 3.48Å; N23-E41 WeakPolarHBondContact O-CA 3.29Å | ||
| 24 | F | 56.9 | Low | 55.9 | Low | 79 Ų | 79 | 79.1 Ų | 79.1 | 35% | 0.346 | 47% | 0.466 | S | S | . | . | trans | -95.6 | 131.9 | -174.9 | -66.9 | -104.5 | 0 | 0 | 0 | 110.2 | S22 F40 E41 | S22-F24 VanDerWaalsContact CB-CD2 3.48Å; S22-F24 PolarHBondContact O-N 2.92Å; S22-F24 WeakPolarHBondContact OG-CD2 3.4Å; S22-F24 WeakPolarHBondContact OG-CE2 3.35Å; F24-F40 CarbonylContact C-O 3.49Å; F24-F40 VanDerWaalsContact CA-O 3.23Å; F24-F40 WeakPolarHBondContact CA-O 3.24Å; F24-E41 HydrophobicContact CD1-CB 4.36Å; F24-E41 HydrophobicContact CD1-CG 3.44Å; F24-E41 VanDerWaalsContact CD1-CG 3.44Å; F24-E41 HydrophobicContact CD2-CG 3.92Å; F24-E41 HydrophobicContact CE1-CB 4.36Å; F24-E41 HydrophobicContact CE1-CG 3.09Å; F24-E41 HydrophobicContact CE2-CG 3.6Å; F24-E41 WeakPolarHBondContact CE2-OE1 3.38Å; F24-E41 HydrophobicContact CG-CG 3.89Å; F24-E41 VanDerWaalsContact CZ-CD 3.44Å; F24-E41 HydrophobicContact CZ-CG 3.2Å; F24-E41 WeakPolarHBondContact CZ-OE1 3.38Å | ||
| 25 | S | 62.9 | Low | 57.4 | Low | 38 Ų | 38 | 76.1 Ų | 76.1 | 27% | 0.266 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 141.1 | 166.7 | -64 | 0 | 0 | 0 | 0 | 109.3 | A39 F40 | S25-A39 WeakPolarHBondContact O-CA 3.44Å; S25-F40 VanDerWaalsContact CB-CZ 3.47Å; S25-F40 PolarHBondContact N-O 2.79Å; S25-F40 PolarHBondContact O-N 2.9Å |
| 26 | I | 67.8 | Low | 58.7 | Low | 22 Ų | 22 | 74.7 Ų | 74.7 | 11% | 0.113 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131.9 | 176.2 | -57.5 | 174.3 | 0 | 0 | 0 | 107.8 | F7 V37 Q38 A39 | F7-I26 HydrophobicContact CD2-CD1 4.22Å; F7-I26 HydrophobicContact CE2-CD1 4.18Å; I26-V37 HydrophobicContact CG2-CG1 3.66Å; I26-Q38 CarbonylContact C-O 3.53Å; I26-Q38 VanDerWaalsContact CA-O 3.28Å; I26-Q38 WeakPolarHBondContact CA-O 3.36Å; I26-A39 HydrophobicContact CG1-CB 4.31Å |
| 27 | I | 67.9 | Low | 60.1 | Low | 66 Ų | 66 | 69.9 Ų | 69.9 | 34% | 0.338 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.8 | 169.5 | -63.7 | 173.2 | 0 | 0 | 0 | 107.6 | P14 Q38 F40 | P14-I27 HydrophobicContact CB-CG2 4.39Å; I27-Q38 PolarHBondContact N-O 3.29Å; I27-Q38 PolarHBondContact O-N 2.81Å; I27-F40 HydrophobicContact CB-CE1 4.31Å; I27-F40 HydrophobicContact CD1-CE1 3.44Å; I27-F40 VanDerWaalsContact CD1-CE1 3.44Å; I27-F40 HydrophobicContact CD1-CZ 3.51Å; I27-F40 HydrophobicContact CG1-CE1 3.61Å; I27-F40 HydrophobicContact CG1-CZ 3.85Å |
| 28 | S | 67.8 | Low | 61.3 | Low | 35 Ų | 35 | 71.5 Ų | 71.5 | 25% | 0.245 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 143.8 | 171.2 | 58 | 0 | 0 | 0 | 0 | 111 | V36 | S28-V36 CarbonylContact C-O 3.54Å; S28-V36 VanDerWaalsContact CA-O 3.24Å; S28-V36 WeakPolarHBondContact CA-O 3.2Å |
| 29 | S | 64.4 | Low | 62.7 | Low | 78 Ų | 78 | 67.4 Ų | 67.4 | 55% | 0.545 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 129.8 | 172.6 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | T35 V36 | S29-T35 CarbonylContact O-C 3.57Å; S29-T35 WeakPolarHBondContact O-CA 3.23Å; S29-V36 PolarHBondContact N-O 3.48Å; S29-V36 PolarHBondContact O-N 2.97Å |
| 30 | K | 67.4 | Low | 63.8 | Low | 135 Ų | 135 | 67.3 Ų | 67.3 | 59% | 0.587 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 133.9 | 178.2 | -171.4 | 177.4 | -179.4 | -174.7 | 0 | 109.8 | E58 | K30-E58 WeakPolarHBondContact CE-OE1 3.11Å; K30-E58 IonicContact NZ-OE1 2.81Å; K30-E58 PolarHBondContact NZ-OE1 3.46Å |
| 31 | S | 67.1 | Low | 65 | Low | 56 Ų | 56 | 67.4 Ų | 67.4 | 39% | 0.392 | 38% | 0.379 | S | S | . | . | trans | -116.2 | 168.4 | 166.5 | 176 | 0 | 0 | 0 | 0 | 109 | T33 H34 | S31-T33 PolarHBondContact O-N 3.29Å; S31-H34 WeakPolarHBondContact CA-O 3.37Å; S31-H34 WeakPolarHBondContact CB-O 3.41Å; S31-H34 PolarHBondContact N-O 2.94Å | ||
| 32 | D | 68.6 | Low | 66.2 | Low | 148 Ų | 148 | 63.9 Ų | 63.9 | 79% | 0.791 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -63 | -8.2 | -178.8 | -55.7 | -38 | 0 | 0 | 0 | 114.4 | E58 | D32-E58 VanDerWaalsContact O-OE2 3.13Š|
| 33 | T | 67.8 | Low | 66.8 | Low | 81 Ų | 81 | 65 Ų | 65 | 50% | 0.497 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -134.7 | -17.4 | -172 | 35.1 | 0 | 0 | 0 | 0 | 113.1 | S31 E58 | S31-T33 PolarHBondContact O-N 3.29Å; T33-E58 PolarHBondContact O-N 3.14Å |
| 34 | H | 64.4 | Low | 66.9 | Low | 83 Ų | 83 | 65 Ų | 65 | 38% | 0.384 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 151.8 | -175.7 | -0.9 | 50.7 | 0 | 0 | 0 | 111 | S31 V56 | S31-H34 WeakPolarHBondContact CA-O 3.37Å; S31-H34 WeakPolarHBondContact CB-O 3.41Å; S31-H34 PolarHBondContact N-O 2.94Å; H34-V56 CarbonylContact C-O 3.59Å; H34-V56 VanDerWaalsContact CA-O 3.29Å; H34-V56 WeakPolarHBondContact CA-O 3.19Å |
| 35 | T | 72.6 | Confident | 67.2 | Low | 20 Ų | 20 | 62.9 Ų | 62.9 | 12% | 0.123 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127.5 | 165.1 | -58.6 | 0 | 0 | 0 | 0 | 109 | S29 V37 V56 | S29-T35 CarbonylContact O-C 3.57Å; S29-T35 WeakPolarHBondContact O-CA 3.23Å; T35-V37 HydrophobicContact CG2-CG2 4.18Å; T35-V56 PolarHBondContact N-O 2.91Å; T35-V56 PolarHBondContact O-N 2.92Å |
| 36 | V | 70.2 | Confident | 67.1 | Low | 35 Ų | 35 | 63.9 Ų | 63.9 | 21% | 0.212 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 127.5 | 172.3 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | S28 S29 Q38 R53 F54 F55 | S28-V36 CarbonylContact C-O 3.54Å; S28-V36 VanDerWaalsContact CA-O 3.24Å; S28-V36 WeakPolarHBondContact CA-O 3.2Å; S29-V36 PolarHBondContact N-O 3.48Å; S29-V36 PolarHBondContact O-N 2.97Å; V36-Q38 HydrophobicContact CG1-CG 4.27Å; V36-R53 HydrophobicContact CG1-CG 3.83Å; V36-F54 WeakPolarHBondContact CA-O 3.18Å; V36-F55 HydrophobicContact CG2-CD1 3.83Å; V36-F55 HydrophobicContact CG2-CE1 3.74Å |
| 37 | V | 73.4 | Confident | 66.7 | Low | 18 Ų | 18 | 71.8 Ų | 71.8 | 11% | 0.109 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126.7 | 174 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | I26 T35 R53 F54 V56 | I26-V37 HydrophobicContact CG2-CG1 3.66Å; T35-V37 HydrophobicContact CG2-CG2 4.18Å; V37-R53 CarbonylContact O-C 3.42Å; V37-R53 WeakPolarHBondContact O-CA 3.45Å; V37-F54 HydrophobicContact CB-CB 4.42Å; V37-F54 PolarHBondContact N-O 2.81Å; V37-F54 PolarHBondContact O-N 3.36Å; V37-V56 HydrophobicContact CG2-CG2 4.47Å |
| 38 | Q | 70 | Confident | 66.6 | Low | 46 Ų | 46 | 76.3 Ų | 76.3 | 22% | 0.215 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.3 | 176.8 | -65.7 | -178.3 | -75.7 | 0 | 0 | 109.9 | I26 I27 V36 F51 Q52 R53 | I26-Q38 CarbonylContact C-O 3.53Å; I26-Q38 VanDerWaalsContact CA-O 3.28Å; I26-Q38 WeakPolarHBondContact CA-O 3.36Å; I27-Q38 PolarHBondContact N-O 3.29Å; I27-Q38 PolarHBondContact O-N 2.81Å; V36-Q38 HydrophobicContact CG1-CG 4.27Å; Q38-F51 HydrophobicContact CG-CD2 4.41Å; Q38-Q52 CarbonylContact C-O 3.45Å; Q38-Q52 VanDerWaalsContact CA-O 3.29Å; Q38-Q52 WeakPolarHBondContact CA-O 3.29Å; Q38-R53 HydrophobicContact CG-CB 4.29Å; Q38-R53 HydrophobicContact CG-CG 4.03Å; Q38-R53 VanDerWaalsContact NE2-NH2 3.16Å |
| 39 | A | 72 | Confident | 66.2 | Low | 20 Ų | 20 | 76.9 Ų | 76.9 | 17% | 0.165 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 136.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S25 I26 F51 Q52 | S25-A39 WeakPolarHBondContact O-CA 3.44Å; I26-A39 HydrophobicContact CG1-CB 4.31Å; A39-F51 WeakPolarHBondContact O-CA 2.99Å; A39-F51 WeakPolarHBondContact O-CB 3.44Å; A39-Q52 PolarHBondContact N-O 3.04Å; A39-Q52 PolarHBondContact O-N 2.74Å |
| 40 | F | 66.1 | Low | 66.2 | Low | 20 Ų | 20 | 77.4 Ų | 77.4 | 9% | 0.088 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 147.5 | -178 | 53.2 | -88.6 | 0 | 0 | 0 | 111.4 | F24 S25 I27 S42 V46 F51 | F24-F40 CarbonylContact C-O 3.49Å; F24-F40 VanDerWaalsContact CA-O 3.23Å; F24-F40 WeakPolarHBondContact CA-O 3.24Å; S25-F40 VanDerWaalsContact CB-CZ 3.47Å; S25-F40 PolarHBondContact N-O 2.79Å; S25-F40 PolarHBondContact O-N 2.9Å; I27-F40 HydrophobicContact CB-CE1 4.31Å; I27-F40 HydrophobicContact CD1-CE1 3.44Å; I27-F40 VanDerWaalsContact CD1-CE1 3.44Å; I27-F40 HydrophobicContact CD1-CZ 3.51Å; I27-F40 HydrophobicContact CG1-CE1 3.61Å; I27-F40 HydrophobicContact CG1-CZ 3.85Å; F40-S42 WeakPolarHBondContact CD2-O 3.23Å; F40-V46 HydrophobicContact CB-CG2 3.83Å; F40-V46 HydrophobicContact CD1-CG2 3.51Å; F40-V46 HydrophobicContact CD2-CG2 3.33Å; F40-V46 HydrophobicContact CE1-CG2 3.82Å; F40-V46 HydrophobicContact CE2-CG2 3.62Å; F40-V46 HydrophobicContact CG-CG2 3.26Å; F40-V46 HydrophobicContact CZ-CG2 3.87Å; F40-F51 HydrophobicContact CB-CB 4.06Å |
| 41 | E | 65.8 | Low | 66.2 | Low | 113 Ų | 113 | 74 Ų | 74 | 53% | 0.528 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -75.9 | -36.2 | 177.6 | -66.4 | -170 | 157.9 | 0 | 0 | 112.7 | N23 F24 | N23-E41 CarbonylContact O-C 3.48Å; N23-E41 WeakPolarHBondContact O-CA 3.29Å; F24-E41 HydrophobicContact CD1-CB 4.36Å; F24-E41 HydrophobicContact CD1-CG 3.44Å; F24-E41 VanDerWaalsContact CD1-CG 3.44Å; F24-E41 HydrophobicContact CD2-CG 3.92Å; F24-E41 HydrophobicContact CE1-CB 4.36Å; F24-E41 HydrophobicContact CE1-CG 3.09Å; F24-E41 HydrophobicContact CE2-CG 3.6Å; F24-E41 WeakPolarHBondContact CE2-OE1 3.38Å; F24-E41 HydrophobicContact CG-CG 3.89Å; F24-E41 VanDerWaalsContact CZ-CD 3.44Å; F24-E41 HydrophobicContact CZ-CG 3.2Å; F24-E41 WeakPolarHBondContact CZ-OE1 3.38Å |
| 42 | S | 67.3 | Low | 66.2 | Low | 45 Ų | 45 | 76.5 Ų | 76.5 | 32% | 0.315 | 41% | 0.405 | S | S | . | . | trans | -143.2 | 154.6 | -178.7 | -166.7 | 0 | 0 | 0 | 0 | 112.4 | F40 K44 D45 V46 | F40-S42 WeakPolarHBondContact CD2-O 3.23Å; S42-K44 PolarHBondContact O-N 2.81Å; S42-K44 VanDerWaalsContact O-N 3.14Å; S42-D45 WeakPolarHBondContact CB-OD2 3.28Å; S42-D45 PolarHBondContact N-OD2 2.84Å; S42-D45 WeakPolarHBondContact O-CB 3.36Å; S42-D45 PolarHBondContact O-N 2.92Å; S42-V46 PolarHBondContact O-N 2.96Å | ||
| 43 | S | 61.6 | Low | 66.2 | Low | 82 Ų | 82 | 75.4 Ų | 75.4 | 57% | 0.573 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -59.5 | -22.5 | 170.4 | 59.2 | 0 | 0 | 0 | 0 | 112.7 | K47 | S43-K47 PolarHBondContact O-N 3.21Å |
| 44 | K | 63.3 | Low | 66.1 | Low | 145 Ų | 145 | 74.4 Ų | 74.4 | 63% | 0.63 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -67.3 | -36 | 171 | -67.8 | -179.6 | -177.3 | 173.8 | 0 | 112.1 | S42 K47 K48 | S42-K44 PolarHBondContact O-N 2.81Å; S42-K44 VanDerWaalsContact O-N 3.14Å; K44-K47 PolarHBondContact O-N 3.01Å; K44-K48 WeakPolarHBondContact O-CG 2.84Å; K44-K48 PolarHBondContact O-N 2.8Å |
| 45 | D | 62.7 | Low | 66.2 | Low | 34 Ų | 34 | 76.7 Ų | 76.7 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -72.5 | -36.8 | -179 | -56.1 | -40.9 | 0 | 0 | 0 | 110.4 | S42 K47 K48 G49 V50 | S42-D45 WeakPolarHBondContact CB-OD2 3.28Å; S42-D45 PolarHBondContact N-OD2 2.84Å; S42-D45 WeakPolarHBondContact O-CB 3.36Å; S42-D45 PolarHBondContact O-N 2.92Å; D45-K47 VanDerWaalsContact C-N 3.33Å; D45-K47 PolarHBondContact O-N 2.83Å; D45-K48 CarbonylContact O-C 3.58Å; D45-K48 PolarHBondContact O-N 2.88Å; D45-K48 VanDerWaalsContact O-N 3.09Å; D45-G49 PolarHBondContact O-N 3.03Å; D45-V50 CarbonylContact C-O 3.46Å; D45-V50 HydrophobicContact CB-CB 3.95Å; D45-V50 HydrophobicContact CB-CG1 4.37Å; D45-V50 VanDerWaalsContact CB-O 3.23Å; D45-V50 WeakPolarHBondContact CB-O 3.03Å; D45-V50 PolarHBondContact O-N 2.93Å |
| 46 | V | 61 | Low | 65.9 | Low | 59 Ų | 59 | 77.8 Ų | 77.8 | 36% | 0.358 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -56.4 | -47.1 | 169.3 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | F40 S42 K48 G49 | F40-V46 HydrophobicContact CB-CG2 3.83Å; F40-V46 HydrophobicContact CD1-CG2 3.51Å; F40-V46 HydrophobicContact CD2-CG2 3.33Å; F40-V46 HydrophobicContact CE1-CG2 3.82Å; F40-V46 HydrophobicContact CE2-CG2 3.62Å; F40-V46 HydrophobicContact CG-CG2 3.26Å; F40-V46 HydrophobicContact CZ-CG2 3.87Å; S42-V46 PolarHBondContact O-N 2.96Å; V46-K48 VanDerWaalsContact C-N 3.26Å; V46-K48 PolarHBondContact O-N 2.74Å; V46-G49 PolarHBondContact O-N 2.73Å; V46-G49 VanDerWaalsContact O-N 3.17Å |
| 47 | K | 58.6 | Low | 65.7 | Low | 189 Ų | 189 | 79.7 Ų | 79.7 | 82% | 0.822 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -66.1 | -28.2 | 178.1 | -70.3 | -176.6 | -179.4 | -173.5 | 0 | 113.1 | S43 K44 D45 | S43-K47 PolarHBondContact O-N 3.21Å; K44-K47 PolarHBondContact O-N 3.01Å; D45-K47 VanDerWaalsContact C-N 3.33Å; D45-K47 PolarHBondContact O-N 2.83Å |
| 48 | K | 66.6 | Low | 65.1 | Low | 161 Ų | 161 | 83.6 Ų | 83.6 | 70% | 0.7 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -87.6 | -4.1 | 176.2 | -70.9 | 179.3 | 177.3 | -176.4 | 0 | 113.6 | K44 D45 V46 V50 | K44-K48 WeakPolarHBondContact O-CG 2.84Å; K44-K48 PolarHBondContact O-N 2.8Å; D45-K48 CarbonylContact O-C 3.58Å; D45-K48 PolarHBondContact O-N 2.88Å; D45-K48 VanDerWaalsContact O-N 3.09Å; V46-K48 VanDerWaalsContact C-N 3.26Å; V46-K48 PolarHBondContact O-N 2.74Å; K48-V50 VanDerWaalsContact C-N 3.28Å; K48-V50 HydrophobicContact CB-CG2 4.08Å |
| 49 | G | 60.6 | Low | 64.6 | Low | 46 Ų | 46 | 88.6 Ų | 88.6 | 47% | 0.474 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 10.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | D45 V46 F51 | D45-G49 PolarHBondContact O-N 3.03Å; V46-G49 PolarHBondContact O-N 2.73Å; V46-G49 VanDerWaalsContact O-N 3.17Å; G49-F51 PolarHBondContact O-N 3.17Å |
| 50 | V | 63.1 | Low | 63.8 | Low | 90 Ų | 90 | 89.7 Ų | 89.7 | 55% | 0.545 | 46% | 0.461 | S | S | . | . | trans | -89.4 | 88.5 | -179.8 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | D45 K48 | D45-V50 CarbonylContact C-O 3.46Å; D45-V50 HydrophobicContact CB-CB 3.95Å; D45-V50 HydrophobicContact CB-CG1 4.37Å; D45-V50 VanDerWaalsContact CB-O 3.23Å; D45-V50 WeakPolarHBondContact CB-O 3.03Å; D45-V50 PolarHBondContact O-N 2.93Å; K48-V50 VanDerWaalsContact C-N 3.28Å; K48-V50 HydrophobicContact CB-CG2 4.08Å | ||
| 51 | F | 67.5 | Low | 62.8 | Low | 63 Ų | 63 | 96 Ų | 96 | 28% | 0.276 | 49% | 0.491 | S | S | . | . | trans | -154.4 | 155.2 | 176.1 | 54.8 | -98.7 | 0 | 0 | 0 | 110 | Q38 A39 F40 G49 R53 | Q38-F51 HydrophobicContact CG-CD2 4.41Å; A39-F51 WeakPolarHBondContact O-CA 2.99Å; A39-F51 WeakPolarHBondContact O-CB 3.44Å; F40-F51 HydrophobicContact CB-CB 4.06Å; G49-F51 PolarHBondContact O-N 3.17Å; F51-R53 HydrophobicContact CD2-CB 4.19Å; F51-R53 HydrophobicContact CE2-CB 4.09Å; F51-R53 VanDerWaalsContact CZ-NH2 3.27Å | ||
| 52 | Q | 67 | Low | 61.8 | Low | 109 Ų | 109 | 100.8 Ų | 100.8 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 130 | 170.4 | -159.3 | 172.2 | 19.2 | 0 | 0 | 109.1 | Q38 A39 F54 | Q38-Q52 CarbonylContact C-O 3.45Å; Q38-Q52 VanDerWaalsContact CA-O 3.29Å; Q38-Q52 WeakPolarHBondContact CA-O 3.29Å; A39-Q52 PolarHBondContact N-O 3.04Å; A39-Q52 PolarHBondContact O-N 2.74Å; Q52-F54 HydrophobicContact CB-CE2 4.14Å; Q52-F54 HydrophobicContact CG-CD2 4.48Å; Q52-F54 HydrophobicContact CG-CE1 4.37Å; Q52-F54 HydrophobicContact CG-CE2 3.63Å; Q52-F54 HydrophobicContact CG-CZ 3.59Å |
| 53 | R | 68.4 | Low | 60.7 | Low | 124 Ų | 124 | 101.8 Ų | 101.8 | 47% | 0.468 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 132.3 | 179.1 | -175.5 | -177.3 | -67.2 | 161.6 | -1.6 | 110.5 | V36 V37 Q38 F51 F55 | V36-R53 HydrophobicContact CG1-CG 3.83Å; V37-R53 CarbonylContact O-C 3.42Å; V37-R53 WeakPolarHBondContact O-CA 3.45Å; Q38-R53 HydrophobicContact CG-CB 4.29Å; Q38-R53 HydrophobicContact CG-CG 4.03Å; Q38-R53 VanDerWaalsContact NE2-NH2 3.16Å; F51-R53 HydrophobicContact CD2-CB 4.19Å; F51-R53 HydrophobicContact CE2-CB 4.09Å; F51-R53 VanDerWaalsContact CZ-NH2 3.27Å; R53-F55 HydrophobicContact CG-CE2 4.09Å; R53-F55 HydrophobicContact CG-CZ 4.43Å |
| 54 | F | 67.1 | Low | 59.6 | Low | 61 Ų | 61 | 105.4 Ų | 105.4 | 27% | 0.268 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 137.3 | 175.6 | -57.3 | -86.4 | 0 | 0 | 0 | 110 | V36 V37 Q52 I69 | V36-F54 WeakPolarHBondContact CA-O 3.18Å; V37-F54 HydrophobicContact CB-CB 4.42Å; V37-F54 PolarHBondContact N-O 2.81Å; V37-F54 PolarHBondContact O-N 3.36Å; Q52-F54 HydrophobicContact CB-CE2 4.14Å; Q52-F54 HydrophobicContact CG-CD2 4.48Å; Q52-F54 HydrophobicContact CG-CE1 4.37Å; Q52-F54 HydrophobicContact CG-CE2 3.63Å; Q52-F54 HydrophobicContact CG-CZ 3.59Å; F54-I69 HydrophobicContact CE1-CD1 4.32Å |
| 55 | F | 65 | Low | 58.6 | Low | 131 Ų | 131 | 106 Ų | 106 | 58% | 0.575 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 118.1 | 170 | -68 | -90.9 | 0 | 0 | 0 | 108.2 | V36 R53 | V36-F55 HydrophobicContact CG2-CD1 3.83Å; V36-F55 HydrophobicContact CG2-CE1 3.74Å; R53-F55 HydrophobicContact CG-CE2 4.09Å; R53-F55 HydrophobicContact CG-CZ 4.43Å |
| 56 | V | 66.9 | Low | 57.6 | Low | 42 Ų | 42 | 113.8 Ų | 113.8 | 26% | 0.255 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 106.5 | 178.7 | -175.3 | 0 | 0 | 0 | 0 | 107 | H34 T35 V37 A60 | H34-V56 CarbonylContact C-O 3.59Å; H34-V56 VanDerWaalsContact CA-O 3.29Å; H34-V56 WeakPolarHBondContact CA-O 3.19Å; T35-V56 PolarHBondContact N-O 2.91Å; T35-V56 PolarHBondContact O-N 2.92Å; V37-V56 HydrophobicContact CG2-CG2 4.47Å; V56-A60 HydrophobicContact CG1-CB 3.73Å |
| 57 | P | 65.8 | Low | 56.6 | Low | 75 Ų | 75 | 120 Ų | 120 | 49% | 0.487 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -60.2 | 148.3 | 175.3 | 23.2 | -29.7 | 0 | 0 | 0 | 110.1 | N59 A60 | P57-N59 PolarHBondContact O-N 3.29Å; P57-N59 VanDerWaalsContact O-N 3.17Å; P57-A60 HydrophobicContact CG-CB 4.17Å; P57-A60 WeakPolarHBondContact O-CB 3.33Å; P57-A60 PolarHBondContact O-N 2.85Å |
| 58 | E | 61.2 | Low | 55.7 | Low | 100 Ų | 100 | 119.9 Ų | 119.9 | 47% | 0.467 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.9 | -27.3 | -176.4 | -171.3 | 166.2 | -145.4 | 0 | 0 | 112.8 | K30 D32 T33 A60 | K30-E58 WeakPolarHBondContact CE-OE1 3.11Å; K30-E58 IonicContact NZ-OE1 2.81Å; K30-E58 PolarHBondContact NZ-OE1 3.46Å; D32-E58 VanDerWaalsContact O-OE2 3.13Å; T33-E58 PolarHBondContact O-N 3.14Å; E58-A60 VanDerWaalsContact C-N 3.3Å; E58-A60 PolarHBondContact O-N 3.34Å |
| 59 | N | 58.8 | Low | 54.4 | Low | 151 Ų | 151 | 118.5 Ų | 118.5 | 81% | 0.807 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 13.7 | 175.2 | -59.6 | -49.3 | 0 | 0 | 0 | 113.8 | P57 E61 | P57-N59 PolarHBondContact O-N 3.29Å; P57-N59 VanDerWaalsContact O-N 3.17Å; N59-E61 PolarHBondContact O-N 2.74Å |
| 60 | A | 55.6 | Low | 53.2 | Low | 43 Ų | 43 | 122.8 Ų | 122.8 | 36% | 0.355 | 61% | 0.605 | S | S | . | * | trans | -62.4 | 99.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109 | V56 P57 E58 K62 | V56-A60 HydrophobicContact CG1-CB 3.73Å; P57-A60 HydrophobicContact CG-CB 4.17Å; P57-A60 WeakPolarHBondContact O-CB 3.33Å; P57-A60 PolarHBondContact O-N 2.85Å; E58-A60 VanDerWaalsContact C-N 3.3Å; E58-A60 PolarHBondContact O-N 3.34Å; A60-K62 PolarHBondContact O-N 3.21Å | ||
| 61 | E | 45.4 | Very low | 51.9 | Low | 154 Ų | 154 | 127 Ų | 127 | 72% | 0.72 | 62% | 0.616 | S | S | * | * | trans | -53.1 | 133.3 | 177.4 | -77.1 | -170.6 | 128.9 | 0 | 0 | 110 | N59 G63 | N59-E61 PolarHBondContact O-N 2.74Å; E61-G63 PolarHBondContact O-N 3.48Å | ||
| 62 | K | 45.1 | Very low | 50.5 | Low | 212 Ų | 212 | 134.3 Ų | 134.3 | 92% | 0.922 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 12.6 | -170.1 | -155 | 177.1 | -178.5 | 177.3 | 0 | 114.6 | A60 | A60-K62 PolarHBondContact O-N 3.21Š|
| 63 | G | 44.2 | Very low | 49 | Very low | 66 Ų | 66 | 135 Ų | 135 | 68% | 0.68 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.4 | -23 | -167.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | E61 | E61-G63 PolarHBondContact O-N 3.48Š|
| 64 | E | 37.8 | Very low | 47.6 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -112.5 | 3.1 | -158 | -141.3 | -177.9 | 135.8 | 0 | 0 | 116.8 | R66 | E64-R66 PolarHBondContact O-N 3.35Š|
| 65 | N | 42.8 | Very low | 46.1 | Very low | 156 Ų | 156 | 148 Ų | 148 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | trans | -101.1 | 39.4 | 178.6 | -106.7 | -59.5 | 0 | 0 | 0 | 113.9 | ||||
| 66 | R | 41.4 | Very low | 45.2 | Very low | 198 Ų | 198 | 148.9 Ų | 148.9 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | trans | -98.7 | 21 | 175.6 | -81.9 | -162.6 | -169.6 | 177.9 | 7.9 | 114.7 | E64 | E64-R66 PolarHBondContact O-N 3.35Š| ||
| 67 | K | 40.9 | Very low | 44.1 | Very low | 190 Ų | 190 | 154.5 Ų | 154.5 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -147.9 | 136.8 | 170.1 | -76.3 | -171.4 | 173 | 174 | 0 | 111.3 | ||
| 68 | K | 38.7 | Very low | 42.8 | Very low | 186 Ų | 186 | 158.9 Ų | 158.9 | 81% | 0.809 | 77% | 0.765 | S | S | * | * | trans | 89.3 | 63.4 | -179.8 | -57.8 | -178.8 | 178.1 | 178.4 | 0 | 116.1 | ||||
| 69 | I | 40.1 | Very low | 41.8 | Very low | 133 Ų | 133 | 162.4 Ų | 162.4 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | trans | -107.4 | 69.7 | 132 | -56 | 173.7 | 0 | 0 | 0 | 104.9 | F54 | F54-I69 HydrophobicContact CE1-CD1 4.32Š| ||
| 70 | D | 35.2 | Very low | 40.7 | Very low | 136 Ų | 136 | 163.1 Ų | 163.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -89.4 | 112.4 | 165.2 | -86.7 | -62.2 | 0 | 0 | 0 | 106.5 | ||||
| 71 | K | 36 | Very low | 39.7 | Very low | 178 Ų | 178 | 171.1 Ų | 171.1 | 77% | 0.774 | 81% | 0.809 | S | S | * | * | trans | 48.1 | 104.2 | 162 | -70.5 | 179.1 | 171.9 | -177.3 | 0 | 116.9 | D73 | K71-D73 PolarHBondContact O-N 3.47Š| ||
| 72 | F | 36.5 | Very low | 39.3 | Very low | 216 Ų | 216 | 172.4 Ų | 172.4 | 95% | 0.947 | 82% | 0.815 | S | S | * | * | trans | -74.8 | 105.4 | 148.7 | -152 | -97.4 | 0 | 0 | 0 | 106.5 | E74 | F72-E74 PolarHBondContact O-N 2.85Š| ||
| 73 | D | 37 | Very low | 38.9 | Very low | 125 Ų | 125 | 169.3 Ų | 169.3 | 67% | 0.668 | 81% | 0.807 | S | S | * | * | trans | -67.3 | 123.1 | 176.5 | -126.6 | -103 | 0 | 0 | 0 | 108.7 | K71 | K71-D73 PolarHBondContact O-N 3.47Š| ||
| 74 | E | 39 | Very low | 38.4 | Very low | 191 Ų | 191 | 177.9 Ų | 177.9 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | trans | -76.3 | 117.8 | 172.3 | -165.1 | 178.4 | 172.7 | 0 | 0 | 107.9 | F72 | F72-E74 PolarHBondContact O-N 2.85Š| ||
| 75 | K | 35.6 | Very low | 38.5 | Very low | 267 Ų | 267 | 179.6 Ų | 179.6 | 100% | 1.161 | 82% | 0.824 | S | S | * | * | trans | -132.5 | 0 | 169.3 | -121.3 | -169.4 | -174.4 | -177.6 | 0 | 110.6 |
Retrieved 75 of 75 residues in 61.6 ms
(Link to these results)