| 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 | 91.3 | Very high | 92.3 | Very high | 73 Ų | 73 | 66.8 Ų | 66.8 | 36% | 0.36 | 36% | 0.363 | S | S | . | . | 0 | 154.2 | 0 | 64.8 | 179.9 | -174.9 | 0 | 0 | 110.4 | V17 L56 K63 | M1-V17 WeakPolarHBondContact CA-O 3.48Å; M1-V17 HydrophobicContact CE-CG2 3.87Å; M1-V17 HydrophobicContact CG-CG2 3.89Å; M1-V17 WeakPolarHBondContact CG-O 3.34Å; M1-V17 PolarHBondContact N-O 3.01Å; M1-V17 PolarHBondContact O-N 2.92Å; M1-L56 HydrophobicContact CE-CB 3.98Å; M1-L56 HydrophobicContact CE-CD1 3.61Å; M1-L56 HydrophobicContact CE-CG 4.44Å; M1-K63 HydrophobicContact CB-CB 4.37Å | |||
| 2 | Q | 92.5 | Very high | 92.5 | Very high | 72 Ų | 72 | 67.1 Ų | 67.1 | 34% | 0.336 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 133.4 | 179.2 | -167.7 | 176.2 | 23 | 0 | 0 | 110.2 | L15 E64 | Q2-L15 WeakPolarHBondContact CA-O 3.45Å; Q2-E64 PolarHBondContact O-N 3.01Å |
| 3 | I | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 159.7 | 174.1 | 63.9 | 169.5 | 0 | 0 | 0 | 110.4 | L15 V17 V26 I61 L67 | I3-L15 HydrophobicContact CG1-CB 3.98Å; I3-L15 PolarHBondContact N-O 3.43Å; I3-L15 PolarHBondContact O-N 3.49Å; I3-V17 HydrophobicContact CB-CG2 4.45Å; I3-V17 HydrophobicContact CD1-CG1 4.12Å; I3-V17 HydrophobicContact CD1-CG2 3.85Å; I3-V17 HydrophobicContact CG1-CG1 4.34Å; I3-V17 HydrophobicContact CG1-CG2 3.8Å; I3-V17 HydrophobicContact CG2-CG2 3.9Å; I3-V26 HydrophobicContact CD1-CG1 4.28Å; I3-I61 HydrophobicContact CG2-CG2 4.14Å; I3-L67 HydrophobicContact CD1-CD1 3.79Å |
| 4 | F | 95.7 | Very high | 92.7 | Very high | 57 Ų | 57 | 62.9 Ų | 62.9 | 25% | 0.25 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 135.4 | 178.4 | -60.2 | -76.2 | 0 | 0 | 0 | 110.5 | T12 I13 T14 E64 S65 T66 L67 | F4-T12 HydrophobicContact CB-CG2 3.95Å; F4-T12 HydrophobicContact CD1-CG2 3.96Å; F4-T12 HydrophobicContact CG-CG2 4.34Å; F4-I13 CarbonylContact C-O 3.6Å; F4-I13 WeakPolarHBondContact CA-O 3.26Å; F4-T14 HydrophobicContact CD1-CG2 3.73Å; F4-T14 HydrophobicContact CE1-CG2 3.58Å; F4-E64 HydrophobicContact CE2-CB 3.98Å; F4-E64 HydrophobicContact CE2-CG 3.93Å; F4-S65 PolarHBondContact N-O 3.14Å; F4-T66 HydrophobicContact CB-CG2 3.92Å; F4-T66 HydrophobicContact CD2-CG2 4.33Å; F4-T66 CarbonylContact O-C 3.52Å; F4-T66 WeakPolarHBondContact O-CA 3.49Å; F4-L67 PolarHBondContact O-N 3.47Å |
| 5 | V | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 116.2 | 174 | -177 | 0 | 0 | 0 | 0 | 108.6 | T12 I13 L15 I30 L43 L67 L69 | V5-T12 CarbonylContact O-C 3.52Å; V5-T12 WeakPolarHBondContact O-CA 3.45Å; V5-I13 HydrophobicContact CB-CB 4.41Å; V5-I13 PolarHBondContact N-O 3.41Å; V5-I13 PolarHBondContact O-N 3.12Å; V5-L15 HydrophobicContact CG2-CD1 3.58Å; V5-L15 HydrophobicContact CG2-CG 4.34Å; V5-I30 HydrophobicContact CG1-CD1 4.2Å; V5-I30 HydrophobicContact CG2-CD1 4.12Å; V5-L43 HydrophobicContact CG1-CD2 4.3Å; V5-L67 CarbonylContact C-O 3.56Å; V5-L67 WeakPolarHBondContact CA-O 3.34Å; V5-L67 HydrophobicContact CG2-CB 4.34Å; V5-L69 HydrophobicContact CG1-CB 3.59Å |
| 6 | K | 95.3 | Very high | 92.9 | Very high | 87 Ų | 87 | 64.9 Ų | 64.9 | 38% | 0.378 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 121.4 | 175 | -73.7 | -174.9 | 177.2 | 179.5 | 0 | 110.1 | K11 T12 L67 H68 L69 | K6-K11 WeakPolarHBondContact CA-O 3.36Å; K6-T12 HydrophobicContact CG-CG2 4.27Å; K6-L67 PolarHBondContact N-O 3.34Å; K6-H68 WeakPolarHBondContact O-CA 3.5Å; K6-L69 PolarHBondContact O-N 3.17Å |
| 7 | T | 92.5 | Very high | 92.9 | Very high | 18 Ų | 18 | 61.4 Ų | 61.4 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 164.4 | 173.2 | 67.8 | 0 | 0 | 0 | 0 | 110.9 | T9 G10 K11 I13 L69 | T7-T9 PolarHBondContact O-N 3.45Å; T7-T9 PolarHBondContact OG1-N 3.41Å; T7-T9 PolarHBondContact OG1-OG1 3.5Å; T7-G10 PolarHBondContact O-N 2.85Å; T7-K11 HydrophobicContact CG2-CB 4.5Å; T7-K11 PolarHBondContact N-O 2.85Å; T7-K11 WeakPolarHBondContact OG1-CB 3.38Å; T7-K11 PolarHBondContact OG1-N 3.03Å; T7-K11 PolarHBondContact OG1-O 3.08Å; T7-I13 HydrophobicContact CG2-CD1 3.88Å; T7-L69 HydrophobicContact CG2-CD2 4.14Å |
| 8 | L | 89 | Confident | 93 | Very high | 130 Ų | 130 | 65 Ų | 65 | 68% | 0.681 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -23.7 | 172.3 | -68.8 | 174.5 | 0 | 0 | 0 | 113.6 | G10 V70 | L8-G10 PolarHBondContact O-N 3.15Å; L8-V70 HydrophobicContact CD1-CG1 4.22Å; L8-V70 HydrophobicContact CD2-CG2 4.1Å; L8-V70 HydrophobicContact CG-CG2 4.5Å |
| 9 | T | 87.5 | Confident | 92.9 | Very high | 125 Ų | 125 | 65.2 Ų | 65.2 | 77% | 0.767 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 1.4 | 177.7 | 53 | 0 | 0 | 0 | 0 | 113.2 | T7 K11 | T7-T9 PolarHBondContact O-N 3.45Å; T7-T9 PolarHBondContact OG1-N 3.41Å; T7-T9 PolarHBondContact OG1-OG1 3.5Å; T9-K11 VanDerWaalsContact C-N 3.31Å |
| 10 | G | 88.7 | Confident | 92.9 | Very high | 60 Ų | 60 | 65.6 Ų | 65.6 | 62% | 0.619 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 83.2 | 0.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T7 L8 | T7-G10 PolarHBondContact O-N 2.85Å; L8-G10 PolarHBondContact O-N 3.15Å |
| 11 | K | 92.6 | Very high | 92.9 | Very high | 113 Ų | 113 | 63.5 Ų | 63.5 | 49% | 0.491 | 35% | 0.349 | S | S | . | . | trans | -71.9 | 134.3 | 175 | -169 | -177.4 | 179.6 | -168.7 | 0 | 109.6 | K6 T7 T9 E34 | K6-K11 WeakPolarHBondContact CA-O 3.36Å; T7-K11 HydrophobicContact CG2-CB 4.5Å; T7-K11 PolarHBondContact N-O 2.85Å; T7-K11 WeakPolarHBondContact OG1-CB 3.38Å; T7-K11 PolarHBondContact OG1-N 3.03Å; T7-K11 PolarHBondContact OG1-O 3.08Å; T9-K11 VanDerWaalsContact C-N 3.31Å; K11-E34 WeakPolarHBondContact CE-OE1 3.48Å; K11-E34 IonicContact NZ-OE1 2.69Å; K11-E34 PolarHBondContact NZ-OE1 3.12Å | ||
| 12 | T | 94.4 | Very high | 93.1 | Very high | 70 Ų | 70 | 62 Ų | 62 | 43% | 0.429 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.8 | 174.6 | -54.8 | 0 | 0 | 0 | 0 | 109.4 | F4 V5 K6 | F4-T12 HydrophobicContact CB-CG2 3.95Å; F4-T12 HydrophobicContact CD1-CG2 3.96Å; F4-T12 HydrophobicContact CG-CG2 4.34Å; V5-T12 CarbonylContact O-C 3.52Å; V5-T12 WeakPolarHBondContact O-CA 3.45Å; K6-T12 HydrophobicContact CG-CG2 4.27Å |
| 13 | I | 93.4 | Very high | 93.2 | Very high | 13 Ų | 13 | 58.5 Ų | 58.5 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 133.2 | 179.7 | -55.8 | 154.4 | 0 | 0 | 0 | 107.9 | F4 V5 T7 L15 K33 E34 | F4-I13 CarbonylContact C-O 3.6Å; F4-I13 WeakPolarHBondContact CA-O 3.26Å; V5-I13 HydrophobicContact CB-CB 4.41Å; V5-I13 PolarHBondContact N-O 3.41Å; V5-I13 PolarHBondContact O-N 3.12Å; T7-I13 HydrophobicContact CG2-CD1 3.88Å; I13-L15 HydrophobicContact CG2-CD2 4.33Å; I13-L15 HydrophobicContact CG2-CG 4.46Å; I13-K33 HydrophobicContact CG2-CB 4.46Å; I13-K33 HydrophobicContact CG2-CD 3.74Å; I13-E34 HydrophobicContact CD1-CG 3.31Å; I13-E34 WeakPolarHBondContact CD1-OE1 3.44Å; I13-E34 HydrophobicContact CG1-CG 4.41Å |
| 14 | T | 94.8 | Very high | 93.2 | Very high | 62 Ų | 62 | 62.1 Ų | 62.1 | 38% | 0.38 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 134.4 | 172.7 | 50.1 | 0 | 0 | 0 | 0 | 110 | F4 K33 | F4-T14 HydrophobicContact CD1-CG2 3.73Å; F4-T14 HydrophobicContact CE1-CG2 3.58Å; T14-K33 PolarHBondContact O-NZ 3.23Å |
| 15 | L | 94 | Very high | 93.1 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 139.5 | 175.3 | -65.8 | 174 | 0 | 0 | 0 | 110.9 | Q2 I3 V5 I13 V17 V26 K29 I30 K33 | Q2-L15 WeakPolarHBondContact CA-O 3.45Å; I3-L15 HydrophobicContact CG1-CB 3.98Å; I3-L15 PolarHBondContact N-O 3.43Å; I3-L15 PolarHBondContact O-N 3.49Å; V5-L15 HydrophobicContact CG2-CD1 3.58Å; V5-L15 HydrophobicContact CG2-CG 4.34Å; I13-L15 HydrophobicContact CG2-CD2 4.33Å; I13-L15 HydrophobicContact CG2-CG 4.46Å; L15-V17 HydrophobicContact CB-CG1 4.19Å; L15-V26 HydrophobicContact CD1-CG1 4.16Å; L15-K29 HydrophobicContact CD2-CB 4.23Å; L15-I30 HydrophobicContact CD1-CD1 4.1Å; L15-I30 HydrophobicContact CD1-CG1 3.5Å; L15-I30 VanDerWaalsContact CD1-CG1 3.5Å; L15-K33 HydrophobicContact CD2-CD 3.71Å |
| 16 | E | 93.9 | Very high | 93 | Very high | 157 Ų | 157 | 63.2 Ų | 63.2 | 73% | 0.734 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 119.1 | 169.1 | -68.1 | -174 | 168.2 | 0 | 0 | 109.3 | K29 | E16-K29 PolarHBondContact O-NZ 2.88Å |
| 17 | V | 93.7 | Very high | 92.9 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.024 | 34% | 0.338 | C | S | . | . | trans | -139.6 | 156.9 | -173.5 | -62.5 | 0 | 0 | 0 | 0 | 110.3 | M1 I3 L15 D21 V26 K29 L56 | M1-V17 WeakPolarHBondContact CA-O 3.48Å; M1-V17 HydrophobicContact CE-CG2 3.87Å; M1-V17 HydrophobicContact CG-CG2 3.89Å; M1-V17 WeakPolarHBondContact CG-O 3.34Å; M1-V17 PolarHBondContact N-O 3.01Å; M1-V17 PolarHBondContact O-N 2.92Å; I3-V17 HydrophobicContact CB-CG2 4.45Å; I3-V17 HydrophobicContact CD1-CG1 4.12Å; I3-V17 HydrophobicContact CD1-CG2 3.85Å; I3-V17 HydrophobicContact CG1-CG1 4.34Å; I3-V17 HydrophobicContact CG1-CG2 3.8Å; I3-V17 HydrophobicContact CG2-CG2 3.9Å; L15-V17 HydrophobicContact CB-CG1 4.19Å; V17-D21 WeakPolarHBondContact CA-OD2 3.16Å; V17-V26 HydrophobicContact CG1-CG2 4.1Å; V17-K29 HydrophobicContact CG1-CD 4.15Å; V17-L56 HydrophobicContact CB-CD1 3.8Å; V17-L56 HydrophobicContact CG1-CD1 4.42Å; V17-L56 HydrophobicContact CG2-CD1 3.55Å | ||
| 18 | E | 93.7 | Very high | 93 | Very high | 127 Ų | 127 | 60.1 Ų | 60.1 | 59% | 0.593 | 35% | 0.348 | S | S | * | . | trans | -100.2 | 155 | 169.4 | -65.7 | -171.5 | 174.7 | 0 | 0 | 110.4 | S20 D21 | E18-S20 WeakPolarHBondContact CB-OG 3.44Å; E18-S20 PolarHBondContact O-N 3.34Å; E18-D21 PolarHBondContact N-OD2 2.81Å; E18-D21 WeakPolarHBondContact O-CB 3.29Å; E18-D21 PolarHBondContact O-N 2.82Å | ||
| 19 | S | 90.9 | Very high | 93.3 | Very high | 68 Ų | 68 | 57.2 Ų | 57.2 | 48% | 0.476 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.9 | 178.2 | 46.8 | 0 | 0 | 0 | 0 | 112.9 | D21 A57 | S19-D21 VanDerWaalsContact C-N 3.35Å; S19-A57 WeakPolarHBondContact O-CB 3.44Å; S19-A57 PolarHBondContact O-N 3.42Å |
| 20 | S | 93 | Very high | 93.6 | Very high | 73 Ų | 73 | 51.3 Ų | 51.3 | 51% | 0.51 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -14.6 | 172.8 | 46.6 | 0 | 0 | 0 | 0 | 113.9 | E18 T22 | E18-S20 WeakPolarHBondContact CB-OG 3.44Å; E18-S20 PolarHBondContact O-N 3.34Å; S20-T22 PolarHBondContact O-N 3.18Å |
| 21 | D | 93.9 | Very high | 93.8 | Very high | 22 Ų | 22 | 52 Ų | 52 | 12% | 0.118 | 28% | 0.28 | C | S | . | . | trans | -62.2 | 135.8 | 179.6 | -83.3 | -28.8 | 0 | 0 | 0 | 110.1 | V17 E18 S19 N25 V26 K29 T55 L56 | V17-D21 WeakPolarHBondContact CA-OD2 3.16Å; E18-D21 PolarHBondContact N-OD2 2.81Å; E18-D21 WeakPolarHBondContact O-CB 3.29Å; E18-D21 PolarHBondContact O-N 2.82Å; S19-D21 VanDerWaalsContact C-N 3.35Å; D21-N25 HydrophobicContact CB-CB 4.39Å; D21-V26 HydrophobicContact CB-CG2 4.48Å; D21-K29 IonicContact OD2-NZ 3.94Å; D21-K29 PolarHBondContact OD2-NZ 2.74Å; D21-T55 WeakPolarHBondContact O-CA 3.34Å; D21-L56 HydrophobicContact CB-CD1 4.35Å; D21-L56 PolarHBondContact O-N 2.81Å | ||
| 22 | T | 94.9 | Very high | 93.7 | Very high | 41 Ų | 41 | 52.9 Ų | 52.9 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -74.6 | 157.9 | 171.2 | 58.7 | 0 | 0 | 0 | 0 | 111 | S20 D24 N25 V26 R54 T55 | S20-T22 PolarHBondContact O-N 3.18Å; T22-D24 PolarHBondContact O-N 3.47Å; T22-N25 WeakPolarHBondContact O-CB 3.44Å; T22-N25 PolarHBondContact O-N 3.32Å; T22-N25 VanDerWaalsContact O-N 3.09Å; T22-N25 VanDerWaalsContact OG1-CG 3.28Å; T22-N25 PolarHBondContact OG1-N 3.2Å; T22-N25 PolarHBondContact OG1-OD1 3.23Å; T22-V26 WeakPolarHBondContact O-CG2 3.21Å; T22-V26 PolarHBondContact O-N 2.77Å; T22-V26 VanDerWaalsContact O-N 3.14Å; T22-R54 WeakPolarHBondContact CA-O 3.28Å; T22-T55 HydrophobicContact CG2-CG2 4.4Å |
| 23 | I | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.5 | -34.2 | 174.5 | -61.8 | -52.8 | 0 | 0 | 0 | 111.5 | V26 K27 L43 L50 E51 R54 L56 Y59 | I23-V26 PolarHBondContact O-N 2.87Å; I23-K27 WeakPolarHBondContact O-CG 3.47Å; I23-K27 PolarHBondContact O-N 3.07Å; I23-L43 HydrophobicContact CG2-CD1 4.26Å; I23-L50 HydrophobicContact CD1-CB 4.09Å; I23-L50 HydrophobicContact CD1-CD1 3.63Å; I23-L50 HydrophobicContact CD1-CG 4.41Å; I23-L50 HydrophobicContact CG1-CB 4.02Å; I23-L50 HydrophobicContact CG1-CD1 4.48Å; I23-L50 HydrophobicContact CG2-CB 3.98Å; I23-E51 VanDerWaalsContact CB-O 3.31Å; I23-E51 WeakPolarHBondContact CB-O 3.46Å; I23-E51 VanDerWaalsContact CG1-O 3.29Å; I23-E51 WeakPolarHBondContact CG1-O 3.06Å; I23-R54 WeakPolarHBondContact CG1-O 3.27Å; I23-R54 PolarHBondContact N-O 2.79Å; I23-L56 HydrophobicContact CD1-CD2 3.72Å; I23-L56 HydrophobicContact CD1-CG 4.47Å; I23-Y59 HydrophobicContact CD1-CD2 4.46Å; I23-Y59 HydrophobicContact CG1-CE2 4.3Å |
| 24 | D | 94.6 | Very high | 93.3 | Very high | 75 Ų | 75 | 57 Ų | 57 | 40% | 0.401 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | 172.8 | -79.9 | -22.8 | 0 | 0 | 0 | 112.9 | T22 V26 K27 A28 D52 | T22-D24 PolarHBondContact O-N 3.47Å; D24-V26 VanDerWaalsContact C-N 3.31Å; D24-V26 PolarHBondContact O-N 3.12Å; D24-K27 PolarHBondContact O-N 2.96Å; D24-A28 PolarHBondContact O-N 2.84Å; D24-D52 PolarHBondContact N-O 3.06Å; D24-D52 WeakPolarHBondContact OD1-CB 3.42Å |
| 25 | N | 93.6 | Very high | 93.1 | Very high | 80 Ų | 80 | 56.9 Ų | 56.9 | 43% | 0.428 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 175.8 | -70.1 | -6.5 | 0 | 0 | 0 | 111.5 | D21 T22 A28 K29 | D21-N25 HydrophobicContact CB-CB 4.39Å; T22-N25 WeakPolarHBondContact O-CB 3.44Å; T22-N25 PolarHBondContact O-N 3.32Å; T22-N25 VanDerWaalsContact O-N 3.09Å; T22-N25 VanDerWaalsContact OG1-CG 3.28Å; T22-N25 PolarHBondContact OG1-N 3.2Å; T22-N25 PolarHBondContact OG1-OD1 3.23Å; N25-A28 PolarHBondContact O-N 2.98Å; N25-K29 WeakPolarHBondContact O-CG 3.28Å; N25-K29 PolarHBondContact O-N 3.24Å |
| 26 | V | 93.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 111 | I3 L15 V17 D21 T22 I23 D24 K29 I30 L43 L56 | I3-V26 HydrophobicContact CD1-CG1 4.28Å; L15-V26 HydrophobicContact CD1-CG1 4.16Å; V17-V26 HydrophobicContact CG1-CG2 4.1Å; D21-V26 HydrophobicContact CB-CG2 4.48Å; T22-V26 WeakPolarHBondContact O-CG2 3.21Å; T22-V26 PolarHBondContact O-N 2.77Å; T22-V26 VanDerWaalsContact O-N 3.14Å; I23-V26 PolarHBondContact O-N 2.87Å; D24-V26 VanDerWaalsContact C-N 3.31Å; D24-V26 PolarHBondContact O-N 3.12Å; V26-K29 PolarHBondContact O-N 3.22Å; V26-I30 HydrophobicContact CG1-CD1 4.18Å; V26-I30 WeakPolarHBondContact O-CG1 3.42Å; V26-I30 PolarHBondContact O-N 3.24Å; V26-L43 HydrophobicContact CB-CD1 4.48Å; V26-L43 HydrophobicContact CG1-CD1 3.98Å; V26-L56 HydrophobicContact CG2-CD1 3.84Å; V26-L56 HydrophobicContact CG2-CD2 4.11Å; V26-L56 HydrophobicContact CG2-CG 4.1Å |
| 27 | K | 94.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 176.3 | -72 | 177.3 | 171.4 | -171.1 | 0 | 112.9 | I23 D24 I30 Q31 P38 Q41 L43 D52 | I23-K27 WeakPolarHBondContact O-CG 3.47Å; I23-K27 PolarHBondContact O-N 3.07Å; D24-K27 PolarHBondContact O-N 2.96Å; K27-I30 PolarHBondContact O-N 2.77Å; K27-Q31 PolarHBondContact O-N 2.85Å; K27-P38 HydrophobicContact CB-CB 3.8Å; K27-P38 HydrophobicContact CD-CB 4.37Å; K27-Q41 HydrophobicContact CD-CB 4.39Å; K27-Q41 HydrophobicContact CG-CB 4.31Å; K27-Q41 PolarHBondContact NZ-O 2.96Å; K27-Q41 PolarHBondContact O-NE2 3.36Å; K27-Q41 PolarHBondContact O-OE1 2.75Å; K27-L43 HydrophobicContact CG-CD1 3.9Å; K27-L43 HydrophobicContact CG-CG 4.48Å; K27-D52 VanDerWaalsContact CE-OD1 3.27Å; K27-D52 WeakPolarHBondContact CE-OD1 3.08Å; K27-D52 IonicContact NZ-OD1 2.9Å; K27-D52 PolarHBondContact NZ-OD1 2.9Å; K27-D52 IonicContact NZ-OD2 2.88Å |
| 28 | A | 94 | Very high | 92.6 | Very high | 39 Ų | 39 | 54.7 Ų | 54.7 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | D24 N25 I30 Q31 D32 | D24-A28 PolarHBondContact O-N 2.84Å; N25-A28 PolarHBondContact O-N 2.98Å; A28-I30 PolarHBondContact O-N 2.94Å; A28-Q31 WeakPolarHBondContact O-CA 3.3Å; A28-Q31 VanDerWaalsContact O-CB 3.27Å; A28-Q31 WeakPolarHBondContact O-CB 3.34Å; A28-Q31 PolarHBondContact O-N 3.31Å; A28-D32 PolarHBondContact O-N 3.45Å |
| 29 | K | 94 | Very high | 92.4 | Very high | 69 Ų | 69 | 53.2 Ų | 53.2 | 30% | 0.3 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.1 | -33.1 | 174.7 | -69.9 | 175.7 | 176.8 | 177.6 | 0 | 113 | L15 E16 V17 D21 N25 V26 K33 | L15-K29 HydrophobicContact CD2-CB 4.23Å; E16-K29 PolarHBondContact O-NZ 2.88Å; V17-K29 HydrophobicContact CG1-CD 4.15Å; D21-K29 IonicContact OD2-NZ 3.94Å; D21-K29 PolarHBondContact OD2-NZ 2.74Å; N25-K29 WeakPolarHBondContact O-CG 3.28Å; N25-K29 PolarHBondContact O-N 3.24Å; V26-K29 PolarHBondContact O-N 3.22Å; K29-K33 PolarHBondContact O-N 3.18Å |
| 30 | I | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.5 | -39 | 173 | -67.4 | 166.4 | 0 | 0 | 0 | 111.1 | V5 L15 V26 K27 A28 D32 K33 E34 L43 L69 | V5-I30 HydrophobicContact CG1-CD1 4.2Å; V5-I30 HydrophobicContact CG2-CD1 4.12Å; L15-I30 HydrophobicContact CD1-CD1 4.1Å; L15-I30 HydrophobicContact CD1-CG1 3.5Å; L15-I30 VanDerWaalsContact CD1-CG1 3.5Å; V26-I30 HydrophobicContact CG1-CD1 4.18Å; V26-I30 WeakPolarHBondContact O-CG1 3.42Å; V26-I30 PolarHBondContact O-N 3.24Å; K27-I30 PolarHBondContact O-N 2.77Å; A28-I30 PolarHBondContact O-N 2.94Å; I30-D32 VanDerWaalsContact C-N 3.28Å; I30-D32 PolarHBondContact O-N 2.9Å; I30-K33 PolarHBondContact O-N 3.34Å; I30-E34 PolarHBondContact O-N 3.37Å; I30-L43 HydrophobicContact CD1-CD1 4.02Å; I30-L43 HydrophobicContact CD1-CD2 3.66Å; I30-L43 HydrophobicContact CD1-CG 4.35Å; I30-L69 HydrophobicContact CG2-CD2 3.89Å |
| 31 | Q | 93 | Very high | 92.3 | Very high | 74 Ų | 74 | 50.9 Ų | 50.9 | 35% | 0.346 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.6 | -42.7 | 175.7 | 179.9 | -176.7 | 7 | 0 | 0 | 110.8 | K27 A28 K33 G35 I36 | K27-Q31 PolarHBondContact O-N 2.85Å; A28-Q31 WeakPolarHBondContact O-CA 3.3Å; A28-Q31 VanDerWaalsContact O-CB 3.27Å; A28-Q31 WeakPolarHBondContact O-CB 3.34Å; A28-Q31 PolarHBondContact O-N 3.31Å; Q31-K33 VanDerWaalsContact C-N 3.27Å; Q31-K33 PolarHBondContact O-N 2.88Å; Q31-G35 WeakPolarHBondContact O-CA 3.49Å; Q31-G35 PolarHBondContact O-N 3.24Å; Q31-I36 WeakPolarHBondContact CA-O 3.25Å; Q31-I36 VanDerWaalsContact CB-O 3.3Å; Q31-I36 WeakPolarHBondContact CB-O 3.44Å; Q31-I36 WeakPolarHBondContact CG-O 3.32Å |
| 32 | D | 92 | Very high | 92.2 | Very high | 133 Ų | 133 | 54.8 Ų | 54.8 | 71% | 0.711 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.4 | -31.3 | 179.4 | -64.2 | -31.5 | 0 | 0 | 0 | 112.8 | A28 I30 | A28-D32 PolarHBondContact O-N 3.45Å; I30-D32 VanDerWaalsContact C-N 3.28Å; I30-D32 PolarHBondContact O-N 2.9Å |
| 33 | K | 90 | Very high | 92.2 | Very high | 114 Ų | 114 | 52.8 Ų | 52.8 | 50% | 0.496 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -88.8 | -40.4 | -178.4 | -67.1 | -163.8 | -178.4 | -166.3 | 0 | 114.5 | I13 T14 L15 K29 I30 Q31 | I13-K33 HydrophobicContact CG2-CB 4.46Å; I13-K33 HydrophobicContact CG2-CD 3.74Å; T14-K33 PolarHBondContact O-NZ 3.23Å; L15-K33 HydrophobicContact CD2-CD 3.71Å; K29-K33 PolarHBondContact O-N 3.18Å; I30-K33 PolarHBondContact O-N 3.34Å; Q31-K33 VanDerWaalsContact C-N 3.27Å; Q31-K33 PolarHBondContact O-N 2.88Å |
| 34 | E | 89 | Confident | 92.2 | Very high | 56 Ų | 56 | 55 Ų | 55 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -105.7 | -11.5 | -176.3 | -71.6 | -72.5 | 132.8 | 0 | 0 | 113.3 | K11 I13 I30 I36 | K11-E34 WeakPolarHBondContact CE-OE1 3.48Å; K11-E34 IonicContact NZ-OE1 2.69Å; K11-E34 PolarHBondContact NZ-OE1 3.12Å; I13-E34 HydrophobicContact CD1-CG 3.31Å; I13-E34 WeakPolarHBondContact CD1-OE1 3.44Å; I13-E34 HydrophobicContact CG1-CG 4.41Å; I30-E34 PolarHBondContact O-N 3.37Å; E34-I36 VanDerWaalsContact C-N 3.27Å; E34-I36 HydrophobicContact CB-CD1 4.01Å; E34-I36 HydrophobicContact CB-CG1 3.96Å; E34-I36 PolarHBondContact O-N 3.09Å |
| 35 | G | 90.4 | Very high | 92.3 | Very high | 59 Ų | 59 | 53.7 Ų | 53.7 | 61% | 0.608 | 28% | 0.284 | S | S | * | . | trans | 74.8 | 12.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q31 | Q31-G35 WeakPolarHBondContact O-CA 3.49Å; Q31-G35 PolarHBondContact O-N 3.24Å | ||
| 36 | I | 89 | Confident | 92.2 | Very high | 31 Ų | 31 | 54.1 Ų | 54.1 | 16% | 0.159 | 30% | 0.299 | C | S | . | . | trans | -93.4 | 121.7 | -173.9 | -56.5 | 178.9 | 0 | 0 | 0 | 109.6 | Q31 E34 Q40 Q41 L71 | Q31-I36 WeakPolarHBondContact CA-O 3.25Å; Q31-I36 VanDerWaalsContact CB-O 3.3Å; Q31-I36 WeakPolarHBondContact CB-O 3.44Å; Q31-I36 WeakPolarHBondContact CG-O 3.32Å; E34-I36 VanDerWaalsContact C-N 3.27Å; E34-I36 HydrophobicContact CB-CD1 4.01Å; E34-I36 HydrophobicContact CB-CG1 3.96Å; E34-I36 PolarHBondContact O-N 3.09Å; I36-Q40 HydrophobicContact CG2-CB 4.19Å; I36-Q41 HydrophobicContact CB-CG 4.45Å; I36-Q41 HydrophobicContact CG2-CG 3.88Å; I36-Q41 PolarHBondContact O-NE2 3.09Å; I36-L71 HydrophobicContact CD1-CD2 3.88Å; I36-L71 HydrophobicContact CG2-CD2 3.53Å | ||
| 37 | P | 91.4 | Very high | 92.1 | Very high | 42 Ų | 42 | 57.6 Ų | 57.6 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | trans | -56.7 | 140.4 | 178.3 | -28.3 | 37.2 | 0 | 0 | 0 | 113.4 | D39 Q40 Q41 | P37-D39 WeakPolarHBondContact CB-OD1 3.48Å; P37-D39 PolarHBondContact O-N 3.02Å; P37-Q40 HydrophobicContact CB-CG 4.3Å; P37-Q40 WeakPolarHBondContact O-CA 2.58Å; P37-Q40 WeakPolarHBondContact O-CB 3.37Å; P37-Q40 PolarHBondContact O-N 3.46Å; P37-Q41 WeakPolarHBondContact O-CG 3.13Å; P37-Q41 PolarHBondContact O-N 3.4Å | ||
| 38 | P | 91 | Very high | 92 | Very high | 43 Ų | 43 | 64.6 Ų | 64.6 | 28% | 0.279 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -63.5 | -27.9 | -174.2 | 24.1 | -34.8 | 0 | 0 | 0 | 113.2 | K27 Q40 Q41 | K27-P38 HydrophobicContact CB-CB 3.8Å; K27-P38 HydrophobicContact CD-CB 4.37Å; P38-Q40 PolarHBondContact O-N 3.32Å; P38-Q41 PolarHBondContact O-N 3.47Å |
| 39 | D | 88.8 | Confident | 92 | Very high | 97 Ų | 97 | 67.1 Ų | 67.1 | 52% | 0.519 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -68.9 | -18.7 | 173.2 | 72.9 | -47 | 0 | 0 | 0 | 112.6 | P37 R72 | P37-D39 WeakPolarHBondContact CB-OD1 3.48Å; P37-D39 PolarHBondContact O-N 3.02Å; D39-R72 WeakPolarHBondContact O-CD 3.49Å; D39-R72 PolarHBondContact O-NH1 3.18Å |
| 40 | Q | 89.7 | Confident | 92 | Very high | 91 Ų | 91 | 63.9 Ų | 63.9 | 43% | 0.425 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -94.4 | -7.6 | 174.2 | -61.3 | -179.5 | 9 | 0 | 0 | 112.4 | I36 P37 P38 L71 R72 | I36-Q40 HydrophobicContact CG2-CB 4.19Å; P37-Q40 HydrophobicContact CB-CG 4.3Å; P37-Q40 WeakPolarHBondContact O-CA 2.58Å; P37-Q40 WeakPolarHBondContact O-CB 3.37Å; P37-Q40 PolarHBondContact O-N 3.46Å; P38-Q40 PolarHBondContact O-N 3.32Å; Q40-L71 CarbonylContact O-C 3.53Å; Q40-L71 WeakPolarHBondContact O-CA 3.12Å; Q40-R72 PolarHBondContact O-N 3.22Å |
| 41 | Q | 92 | Very high | 92 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 137.6 | -177.4 | -61 | 179 | 28.1 | 0 | 0 | 112.2 | K27 I36 P37 P38 L69 | K27-Q41 HydrophobicContact CD-CB 4.39Å; K27-Q41 HydrophobicContact CG-CB 4.31Å; K27-Q41 PolarHBondContact NZ-O 2.96Å; K27-Q41 PolarHBondContact O-NE2 3.36Å; K27-Q41 PolarHBondContact O-OE1 2.75Å; I36-Q41 HydrophobicContact CB-CG 4.45Å; I36-Q41 HydrophobicContact CG2-CG 3.88Å; I36-Q41 PolarHBondContact O-NE2 3.09Å; P37-Q41 WeakPolarHBondContact O-CG 3.13Å; P37-Q41 PolarHBondContact O-N 3.4Å; P38-Q41 PolarHBondContact O-N 3.47Å; Q41-L69 HydrophobicContact CB-CD1 3.8Å; Q41-L69 HydrophobicContact CG-CD1 3.94Å |
| 42 | R | 92.9 | Very high | 91.9 | Very high | 104 Ų | 104 | 67.9 Ų | 67.9 | 39% | 0.392 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 121.6 | 162.2 | -69 | -179.7 | 171.9 | -164.6 | -3.3 | 108.8 | V70 R72 | R42-V70 WeakPolarHBondContact CA-O 3.4Å; R42-V70 HydrophobicContact CB-CB 4.33Å; R42-V70 WeakPolarHBondContact CB-O 3.46Å; R42-V70 PolarHBondContact N-O 3.35Å; R42-V70 PolarHBondContact O-N 3.45Å; R42-R72 HydrophobicContact CG-CG 3.7Å |
| 43 | L | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 133.6 | 171.9 | -65.8 | 173.6 | 0 | 0 | 0 | 109.1 | V5 I23 V26 K27 I30 L50 H68 L69 | V5-L43 HydrophobicContact CG1-CD2 4.3Å; I23-L43 HydrophobicContact CG2-CD1 4.26Å; V26-L43 HydrophobicContact CB-CD1 4.48Å; V26-L43 HydrophobicContact CG1-CD1 3.98Å; K27-L43 HydrophobicContact CG-CD1 3.9Å; K27-L43 HydrophobicContact CG-CG 4.48Å; I30-L43 HydrophobicContact CD1-CD1 4.02Å; I30-L43 HydrophobicContact CD1-CD2 3.66Å; I30-L43 HydrophobicContact CD1-CG 4.35Å; L43-L50 HydrophobicContact CB-CB 4.34Å; L43-L50 HydrophobicContact CB-CD1 3.97Å; L43-L50 HydrophobicContact CB-CG 4.29Å; L43-L50 PolarHBondContact O-N 3.19Å; L43-H68 WeakPolarHBondContact CA-O 3.01Å; L43-L69 HydrophobicContact CD2-CB 4.3Å; L43-L69 HydrophobicContact CD2-CD1 3.89Å |
| 44 | I | 95.3 | Very high | 91.9 | Very high | 47 Ų | 47 | 64.9 Ų | 64.9 | 24% | 0.241 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.5 | -179.4 | -56.2 | 176 | 0 | 0 | 0 | 108.5 | K48 H68 V70 | I44-K48 WeakPolarHBondContact CA-O 3.14Å; I44-H68 HydrophobicContact CB-CB 4.27Å; I44-H68 PolarHBondContact N-O 3.39Å; I44-H68 PolarHBondContact O-N 2.98Å; I44-V70 HydrophobicContact CD1-CB 4.32Å; I44-V70 HydrophobicContact CD1-CG2 3.66Å; I44-V70 HydrophobicContact CG1-CG2 4.48Å |
| 45 | F | 95.3 | Very high | 92.2 | Very high | 46 Ų | 46 | 63.9 Ų | 63.9 | 20% | 0.202 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 136.1 | 174.3 | -172.9 | -122 | 0 | 0 | 0 | 109.7 | G47 K48 L50 I61 T66 L67 | F45-G47 PolarHBondContact O-N 2.91Å; F45-K48 PolarHBondContact N-O 2.88Å; F45-K48 PolarHBondContact O-N 3.37Å; F45-L50 HydrophobicContact CB-CD1 4.39Å; F45-L50 HydrophobicContact CB-CD2 4.02Å; F45-L50 HydrophobicContact CB-CG 4.46Å; F45-I61 HydrophobicContact CD1-CD1 4.32Å; F45-I61 HydrophobicContact CD1-CG1 3.74Å; F45-I61 HydrophobicContact CE1-CG1 3.82Å; F45-I61 HydrophobicContact CG-CG1 4.25Å; F45-I61 HydrophobicContact CZ-CG1 4.39Å; F45-T66 WeakPolarHBondContact CD2-O 3.3Å; F45-L67 HydrophobicContact CB-CD2 3.55Å; F45-L67 HydrophobicContact CD2-CD2 3.71Å; F45-L67 HydrophobicContact CG-CD2 3.81Å |
| 46 | A | 92.7 | Very high | 92.3 | Very high | 89 Ų | 89 | 61 Ų | 61 | 74% | 0.736 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 37.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K48 | A46-K48 PolarHBondContact O-N 3.22Š|
| 47 | G | 91.9 | Very high | 92.5 | Very high | 74 Ų | 74 | 61.8 Ų | 61.8 | 76% | 0.763 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 1.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | F45 | F45-G47 PolarHBondContact O-N 2.91Š|
| 48 | K | 92.7 | Very high | 92.6 | Very high | 148 Ų | 148 | 64.5 Ų | 64.5 | 64% | 0.643 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 137 | 177.5 | -66.7 | -176.9 | -179.9 | 178 | 0 | 111.1 | I44 F45 A46 | I44-K48 WeakPolarHBondContact CA-O 3.14Å; F45-K48 PolarHBondContact N-O 2.88Å; F45-K48 PolarHBondContact O-N 3.37Å; A46-K48 PolarHBondContact O-N 3.22Å |
| 49 | Q | 93.1 | Very high | 92.7 | Very high | 92 Ų | 92 | 64.3 Ų | 64.3 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 132.8 | 170.2 | -172.4 | -173.4 | -46.2 | 0 | 0 | 109.2 | ||
| 50 | L | 94.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -80 | 139.8 | 177.4 | -53.7 | -175.1 | 0 | 0 | 0 | 110.8 | I23 L43 F45 Y59 I61 L67 | I23-L50 HydrophobicContact CD1-CB 4.09Å; I23-L50 HydrophobicContact CD1-CD1 3.63Å; I23-L50 HydrophobicContact CD1-CG 4.41Å; I23-L50 HydrophobicContact CG1-CB 4.02Å; I23-L50 HydrophobicContact CG1-CD1 4.48Å; I23-L50 HydrophobicContact CG2-CB 3.98Å; L43-L50 HydrophobicContact CB-CB 4.34Å; L43-L50 HydrophobicContact CB-CD1 3.97Å; L43-L50 HydrophobicContact CB-CG 4.29Å; L43-L50 PolarHBondContact O-N 3.19Å; F45-L50 HydrophobicContact CB-CD1 4.39Å; F45-L50 HydrophobicContact CB-CD2 4.02Å; F45-L50 HydrophobicContact CB-CG 4.46Å; L50-Y59 HydrophobicContact CB-CE2 4.2Å; L50-Y59 HydrophobicContact CD2-CD1 3.71Å; L50-Y59 HydrophobicContact CD2-CD2 3.69Å; L50-Y59 HydrophobicContact CD2-CE1 3.81Å; L50-Y59 HydrophobicContact CD2-CE2 3.74Å; L50-Y59 HydrophobicContact CD2-CG 3.64Å; L50-I61 HydrophobicContact CD1-CD1 3.93Å; L50-L67 HydrophobicContact CD1-CD1 4.44Å; L50-L67 HydrophobicContact CD1-CD2 3.96Å |
| 51 | E | 93.5 | Very high | 93 | Very high | 105 Ų | 105 | 62 Ų | 62 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -95 | 141.7 | 177.7 | -66.6 | 177.2 | 167.2 | 0 | 0 | 111.1 | I23 G53 R54 Y59 | I23-E51 VanDerWaalsContact CB-O 3.31Å; I23-E51 WeakPolarHBondContact CB-O 3.46Å; I23-E51 VanDerWaalsContact CG1-O 3.29Å; I23-E51 WeakPolarHBondContact CG1-O 3.06Å; E51-G53 VanDerWaalsContact C-N 3.32Å; E51-G53 PolarHBondContact O-N 3.46Å; E51-R54 HydrophobicContact CB-CG 4.42Å; E51-R54 PolarHBondContact O-N 2.69Å; E51-R54 IonicContact OE2-CZ 2.92Å; E51-R54 IonicContact OE2-NE 3.39Å; E51-R54 PolarHBondContact OE2-NE 3.23Å; E51-R54 IonicContact OE2-NH2 2.81Å; E51-R54 PolarHBondContact OE2-NH2 2.97Å; E51-Y59 PolarHBondContact N-OH 3.21Å |
| 52 | D | 90 | Very high | 93 | Very high | 53 Ų | 53 | 68.9 Ų | 68.9 | 28% | 0.283 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -35.8 | -172 | -72.4 | -7.8 | 0 | 0 | 0 | 113.3 | D24 K27 R72 | D24-D52 PolarHBondContact N-O 3.06Å; D24-D52 WeakPolarHBondContact OD1-CB 3.42Å; K27-D52 VanDerWaalsContact CE-OD1 3.27Å; K27-D52 WeakPolarHBondContact CE-OD1 3.08Å; K27-D52 IonicContact NZ-OD1 2.9Å; K27-D52 PolarHBondContact NZ-OD1 2.9Å; K27-D52 IonicContact NZ-OD2 2.88Å; D52-R72 IonicContact OD2-NH2 2.93Å |
| 53 | G | 89.8 | Confident | 92.9 | Very high | 75 Ų | 75 | 70 Ų | 70 | 77% | 0.773 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 7.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | E51 | E51-G53 VanDerWaalsContact C-N 3.32Å; E51-G53 PolarHBondContact O-N 3.46Å |
| 54 | R | 93.4 | Very high | 92.8 | Very high | 108 Ų | 108 | 75.6 Ų | 75.6 | 41% | 0.408 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -105.4 | 160.2 | 177.1 | -62.6 | -164.4 | -159.1 | -155.3 | -1.1 | 111.6 | T22 I23 E51 D58 Y59 | T22-R54 WeakPolarHBondContact CA-O 3.28Å; I23-R54 WeakPolarHBondContact CG1-O 3.27Å; I23-R54 PolarHBondContact N-O 2.79Å; E51-R54 HydrophobicContact CB-CG 4.42Å; E51-R54 PolarHBondContact O-N 2.69Å; E51-R54 IonicContact OE2-CZ 2.92Å; E51-R54 IonicContact OE2-NE 3.39Å; E51-R54 PolarHBondContact OE2-NE 3.23Å; E51-R54 IonicContact OE2-NH2 2.81Å; E51-R54 PolarHBondContact OE2-NH2 2.97Å; R54-D58 HydrophobicContact CB-CB 4.33Å; R54-Y59 HydrophobicContact CB-CD2 4.31Å; R54-Y59 HydrophobicContact CB-CE2 3.64Å; R54-Y59 HydrophobicContact CG-CE2 4.29Å |
| 55 | T | 94.4 | Very high | 92.8 | Very high | 35 Ų | 35 | 74.2 Ų | 74.2 | 22% | 0.215 | 41% | 0.413 | C | S | . | . | B | Isolated β-bridge | trans | -91 | 164 | 176.3 | 65.9 | 0 | 0 | 0 | 0 | 111.9 | D21 T22 A57 D58 | D21-T55 WeakPolarHBondContact O-CA 3.34Å; T22-T55 HydrophobicContact CG2-CG2 4.4Å; T55-A57 PolarHBondContact O-N 2.88Å; T55-D58 PolarHBondContact N-OD2 2.76Å; T55-D58 PolarHBondContact O-N 3.33Å; T55-D58 PolarHBondContact OG1-N 3.29Å; T55-D58 PolarHBondContact OG1-OD1 3.04Å; T55-D58 PolarHBondContact OG1-OD2 3.24Å |
| 56 | L | 93.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -35.2 | 171.4 | -70.5 | 177.7 | 0 | 0 | 0 | 112.1 | M1 V17 D21 I23 V26 Y59 N60 I61 | M1-L56 HydrophobicContact CE-CB 3.98Å; M1-L56 HydrophobicContact CE-CD1 3.61Å; M1-L56 HydrophobicContact CE-CG 4.44Å; V17-L56 HydrophobicContact CB-CD1 3.8Å; V17-L56 HydrophobicContact CG1-CD1 4.42Å; V17-L56 HydrophobicContact CG2-CD1 3.55Å; D21-L56 HydrophobicContact CB-CD1 4.35Å; D21-L56 PolarHBondContact O-N 2.81Å; I23-L56 HydrophobicContact CD1-CD2 3.72Å; I23-L56 HydrophobicContact CD1-CG 4.47Å; V26-L56 HydrophobicContact CG2-CD1 3.84Å; V26-L56 HydrophobicContact CG2-CD2 4.11Å; V26-L56 HydrophobicContact CG2-CG 4.1Å; L56-Y59 PolarHBondContact O-N 3.05Å; L56-N60 PolarHBondContact O-N 2.98Å; L56-I61 HydrophobicContact CB-CB 4.3Å; L56-I61 HydrophobicContact CD2-CB 4.23Å; L56-I61 HydrophobicContact CD2-CD1 3.44Å; L56-I61 VanDerWaalsContact CD2-CD1 3.44Å; L56-I61 HydrophobicContact CD2-CG1 4.42Å; L56-I61 HydrophobicContact CD2-CG2 4.21Å; L56-I61 PolarHBondContact O-N 3.35Å |
| 57 | A | 92.5 | Very high | 93 | Very high | 47 Ų | 47 | 70.5 Ų | 70.5 | 39% | 0.388 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -62.2 | -39.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S19 T55 Y59 N60 | S19-A57 WeakPolarHBondContact O-CB 3.44Å; S19-A57 PolarHBondContact O-N 3.42Å; T55-A57 PolarHBondContact O-N 2.88Å; A57-Y59 PolarHBondContact O-N 2.76Å; A57-Y59 VanDerWaalsContact O-N 3.16Å; A57-N60 PolarHBondContact O-N 3.43Å |
| 58 | D | 93.2 | Very high | 93.1 | Very high | 98 Ų | 98 | 71.3 Ų | 71.3 | 52% | 0.524 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -61.4 | -26.5 | 179.5 | -62.8 | -40.2 | 0 | 0 | 0 | 113 | R54 T55 | R54-D58 HydrophobicContact CB-CB 4.33Å; T55-D58 PolarHBondContact N-OD2 2.76Å; T55-D58 PolarHBondContact O-N 3.33Å; T55-D58 PolarHBondContact OG1-N 3.29Å; T55-D58 PolarHBondContact OG1-OD1 3.04Å; T55-D58 PolarHBondContact OG1-OD2 3.24Å |
| 59 | Y | 92.9 | Very high | 93.2 | Very high | 39 Ų | 39 | 64.5 Ų | 64.5 | 15% | 0.153 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -97.6 | 8.2 | 176.3 | -70.6 | -72.2 | 0 | 0 | 0 | 113.5 | I23 L50 E51 R54 L56 A57 I61 | I23-Y59 HydrophobicContact CD1-CD2 4.46Å; I23-Y59 HydrophobicContact CG1-CE2 4.3Å; L50-Y59 HydrophobicContact CB-CE2 4.2Å; L50-Y59 HydrophobicContact CD2-CD1 3.71Å; L50-Y59 HydrophobicContact CD2-CD2 3.69Å; L50-Y59 HydrophobicContact CD2-CE1 3.81Å; L50-Y59 HydrophobicContact CD2-CE2 3.74Å; L50-Y59 HydrophobicContact CD2-CG 3.64Å; E51-Y59 PolarHBondContact N-OH 3.21Å; R54-Y59 HydrophobicContact CB-CD2 4.31Å; R54-Y59 HydrophobicContact CB-CE2 3.64Å; R54-Y59 HydrophobicContact CG-CE2 4.29Å; L56-Y59 PolarHBondContact O-N 3.05Å; A57-Y59 PolarHBondContact O-N 2.76Å; A57-Y59 VanDerWaalsContact O-N 3.16Å; Y59-I61 PolarHBondContact O-N 2.99Å |
| 60 | N | 92.1 | Very high | 93.1 | Very high | 133 Ų | 133 | 62 Ų | 62 | 71% | 0.711 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 36.9 | -175.4 | -62.3 | -52.3 | 0 | 0 | 0 | 112.9 | L56 A57 Q62 | L56-N60 PolarHBondContact O-N 2.98Å; A57-N60 PolarHBondContact O-N 3.43Å; N60-Q62 PolarHBondContact O-N 3.23Å |
| 61 | I | 92.9 | Very high | 92.9 | Very high | 6 Ų | 6 | 65.8 Ų | 65.8 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | trans | -77.2 | 114.4 | 178.9 | -64.5 | 165.6 | 0 | 0 | 0 | 108.2 | I3 F45 L50 L56 Y59 L67 | I3-I61 HydrophobicContact CG2-CG2 4.14Å; F45-I61 HydrophobicContact CD1-CD1 4.32Å; F45-I61 HydrophobicContact CD1-CG1 3.74Å; F45-I61 HydrophobicContact CE1-CG1 3.82Å; F45-I61 HydrophobicContact CG-CG1 4.25Å; F45-I61 HydrophobicContact CZ-CG1 4.39Å; L50-I61 HydrophobicContact CD1-CD1 3.93Å; L56-I61 HydrophobicContact CB-CB 4.3Å; L56-I61 HydrophobicContact CD2-CB 4.23Å; L56-I61 HydrophobicContact CD2-CD1 3.44Å; L56-I61 VanDerWaalsContact CD2-CD1 3.44Å; L56-I61 HydrophobicContact CD2-CG1 4.42Å; L56-I61 HydrophobicContact CD2-CG2 4.21Å; L56-I61 PolarHBondContact O-N 3.35Å; Y59-I61 PolarHBondContact O-N 2.99Å; I61-L67 HydrophobicContact CD1-CD2 4.05Å | ||
| 62 | Q | 91.2 | Very high | 92.4 | Very high | 145 Ų | 145 | 64.9 Ų | 64.9 | 68% | 0.678 | 34% | 0.342 | S | S | * | . | trans | -97.3 | 173.2 | -178.6 | -64.5 | -172.8 | -16.1 | 0 | 0 | 111.9 | N60 E64 S65 | N60-Q62 PolarHBondContact O-N 3.23Å; Q62-E64 PolarHBondContact O-N 3.25Å; Q62-S65 PolarHBondContact N-OG 3.09Å; Q62-S65 VanDerWaalsContact O-CB 3.24Å; Q62-S65 WeakPolarHBondContact O-CB 3.45Å; Q62-S65 PolarHBondContact O-N 2.96Å; Q62-S65 PolarHBondContact O-OG 3.41Å | ||
| 63 | K | 92.5 | Very high | 91.7 | Very high | 129 Ų | 129 | 70.3 Ų | 70.3 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 140.4 | 168.2 | -171.6 | -175.4 | 172.3 | -164.4 | 0 | 109.8 | M1 S65 | M1-K63 HydrophobicContact CB-CB 4.37Å; K63-S65 PolarHBondContact O-N 3.14Å |
| 64 | E | 92.4 | Very high | 90.7 | Very high | 116 Ų | 116 | 78.6 Ų | 78.6 | 54% | 0.542 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 11.7 | -179.5 | -67.2 | 157.4 | -148.8 | 0 | 0 | 115.3 | Q2 F4 Q62 | Q2-E64 PolarHBondContact O-N 3.01Å; F4-E64 HydrophobicContact CE2-CB 3.98Å; F4-E64 HydrophobicContact CE2-CG 3.93Å; Q62-E64 PolarHBondContact O-N 3.25Å |
| 65 | S | 94.9 | Very high | 89.5 | Confident | 18 Ų | 18 | 76.9 Ų | 76.9 | 13% | 0.126 | 39% | 0.394 | C | S | . | . | trans | -64.5 | 144.6 | 171.3 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | F4 Q62 K63 | F4-S65 PolarHBondContact N-O 3.14Å; Q62-S65 PolarHBondContact N-OG 3.09Å; Q62-S65 VanDerWaalsContact O-CB 3.24Å; Q62-S65 WeakPolarHBondContact O-CB 3.45Å; Q62-S65 PolarHBondContact O-N 2.96Å; Q62-S65 PolarHBondContact O-OG 3.41Å; K63-S65 PolarHBondContact O-N 3.14Å | ||
| 66 | T | 95 | Very high | 88.1 | Confident | 57 Ų | 57 | 78.5 Ų | 78.5 | 35% | 0.35 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120 | 176.3 | 56 | 0 | 0 | 0 | 0 | 110.6 | F4 F45 | F4-T66 HydrophobicContact CB-CG2 3.92Å; F4-T66 HydrophobicContact CD2-CG2 4.33Å; F4-T66 CarbonylContact O-C 3.52Å; F4-T66 WeakPolarHBondContact O-CA 3.49Å; F45-T66 WeakPolarHBondContact CD2-O 3.3Å |
| 67 | L | 95.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 145.1 | 171.3 | -61.3 | -179.3 | 0 | 0 | 0 | 109.5 | I3 F4 V5 K6 F45 L50 I61 | I3-L67 HydrophobicContact CD1-CD1 3.79Å; F4-L67 PolarHBondContact O-N 3.47Å; V5-L67 CarbonylContact C-O 3.56Å; V5-L67 WeakPolarHBondContact CA-O 3.34Å; V5-L67 HydrophobicContact CG2-CB 4.34Å; K6-L67 PolarHBondContact N-O 3.34Å; F45-L67 HydrophobicContact CB-CD2 3.55Å; F45-L67 HydrophobicContact CD2-CD2 3.71Å; F45-L67 HydrophobicContact CG-CD2 3.81Å; L50-L67 HydrophobicContact CD1-CD1 4.44Å; L50-L67 HydrophobicContact CD1-CD2 3.96Å; I61-L67 HydrophobicContact CD1-CD2 4.05Å |
| 68 | H | 95.8 | Very high | 85.8 | Confident | 91 Ų | 91 | 91 Ų | 91 | 42% | 0.421 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 122.5 | 171.5 | -68.1 | -74.8 | 0 | 0 | 0 | 110.2 | K6 L43 I44 | K6-H68 WeakPolarHBondContact O-CA 3.5Å; L43-H68 WeakPolarHBondContact CA-O 3.01Å; I44-H68 HydrophobicContact CB-CB 4.27Å; I44-H68 PolarHBondContact N-O 3.39Å; I44-H68 PolarHBondContact O-N 2.98Å |
| 69 | L | 94.2 | Very high | 84.8 | Confident | 6 Ų | 6 | 95.8 Ų | 95.8 | 3% | 0.031 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 117.1 | 172.7 | 179.1 | 67 | 0 | 0 | 0 | 109.9 | V5 K6 T7 I30 Q41 L43 | V5-L69 HydrophobicContact CG1-CB 3.59Å; K6-L69 PolarHBondContact O-N 3.17Å; T7-L69 HydrophobicContact CG2-CD2 4.14Å; I30-L69 HydrophobicContact CG2-CD2 3.89Å; Q41-L69 HydrophobicContact CB-CD1 3.8Å; Q41-L69 HydrophobicContact CG-CD1 3.94Å; L43-L69 HydrophobicContact CD2-CB 4.3Å; L43-L69 HydrophobicContact CD2-CD1 3.89Å |
| 70 | V | 91.5 | Very high | 83.7 | Confident | 39 Ų | 39 | 105.7 Ų | 105.7 | 24% | 0.236 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.9 | 174.6 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | L8 R42 I44 | L8-V70 HydrophobicContact CD1-CG1 4.22Å; L8-V70 HydrophobicContact CD2-CG2 4.1Å; L8-V70 HydrophobicContact CG-CG2 4.5Å; R42-V70 WeakPolarHBondContact CA-O 3.4Å; R42-V70 HydrophobicContact CB-CB 4.33Å; R42-V70 WeakPolarHBondContact CB-O 3.46Å; R42-V70 PolarHBondContact N-O 3.35Å; R42-V70 PolarHBondContact O-N 3.45Å; I44-V70 HydrophobicContact CD1-CB 4.32Å; I44-V70 HydrophobicContact CD1-CG2 3.66Å; I44-V70 HydrophobicContact CG1-CG2 4.48Å |
| 71 | L | 89.9 | Confident | 83 | Confident | 82 Ų | 82 | 109 Ų | 109 | 43% | 0.429 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 139.7 | 177 | -61.7 | 176 | 0 | 0 | 0 | 111.3 | I36 Q40 L73 | I36-L71 HydrophobicContact CD1-CD2 3.88Å; I36-L71 HydrophobicContact CG2-CD2 3.53Å; Q40-L71 CarbonylContact O-C 3.53Å; Q40-L71 WeakPolarHBondContact O-CA 3.12Å; L71-L73 PolarHBondContact O-N 2.89Å |
| 72 | R | 82.8 | Confident | 82.5 | Confident | 85 Ų | 85 | 118.2 Ų | 118.2 | 32% | 0.321 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 121.3 | 167.2 | -65.5 | -159.4 | -176.2 | 139.1 | -9.9 | 107.3 | D39 Q40 R42 D52 R74 | D39-R72 WeakPolarHBondContact O-CD 3.49Å; D39-R72 PolarHBondContact O-NH1 3.18Å; Q40-R72 PolarHBondContact O-N 3.22Å; R42-R72 HydrophobicContact CG-CG 3.7Å; D52-R72 IonicContact OD2-NH2 2.93Å; R72-R74 PolarHBondContact O-N 2.76Å |
| 73 | L | 74.8 | Confident | 82.1 | Confident | 168 Ų | 168 | 121.4 Ų | 121.4 | 88% | 0.88 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 124.6 | 174 | -63 | 174.8 | 0 | 0 | 0 | 108.5 | L71 G75 | L71-L73 PolarHBondContact O-N 2.89Å; L73-G75 PolarHBondContact O-N 3.44Å |
| 74 | R | 69.5 | Low | 81.8 | Confident | 249 Ų | 249 | 121.3 Ų | 121.3 | 94% | 0.94 | 60% | 0.604 | S | S | * | * | trans | -57.1 | 111.7 | 174.9 | -160.8 | 174.4 | -170 | 170.2 | 3.5 | 107.5 | R72 G76 | R72-R74 PolarHBondContact O-N 2.76Å; R74-G76 PolarHBondContact O-N 3.18Å | ||
| 75 | G | 66.9 | Low | 81.5 | Confident | 71 Ų | 71 | 123.2 Ų | 123.2 | 73% | 0.732 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 124.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L73 | L73-G75 PolarHBondContact O-N 3.44Š|
| 76 | G | 66.7 | Low | 81.2 | Confident | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 140.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R74 K78 | R74-G76 PolarHBondContact O-N 3.18Å; G76-K78 PolarHBondContact O-N 3.29Å |
| 77 | A | 68.6 | Low | 81 | Confident | 97 Ų | 97 | 133.2 Ų | 133.2 | 80% | 0.802 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 126.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | K79 | A77-K79 PolarHBondContact O-N 2.95Š|
| 78 | K | 69.4 | Low | 80.8 | Confident | 214 Ų | 214 | 138.7 Ų | 138.7 | 93% | 0.93 | 69% | 0.69 | S | S | * | * | trans | -53.1 | 108 | -177.9 | -72.2 | 179.2 | 179.8 | 170.6 | 0 | 109.2 | G76 R80 | G76-K78 PolarHBondContact O-N 3.29Å; K78-R80 PolarHBondContact O-N 3.46Å | ||
| 79 | K | 70.2 | Confident | 80.5 | Confident | 198 Ų | 198 | 143 Ų | 143 | 86% | 0.861 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 136.1 | -179.8 | -67.1 | -170.7 | 179 | -179.3 | 0 | 109.4 | A77 K81 | A77-K79 PolarHBondContact O-N 2.95Å; K79-K81 PolarHBondContact O-N 2.58Å |
| 80 | R | 71.5 | Confident | 80.5 | Confident | 247 Ų | 247 | 152 Ų | 152 | 93% | 0.932 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 126 | 173.2 | -95.1 | -177.9 | 165.9 | 178.9 | -2.6 | 109.2 | K78 | K78-R80 PolarHBondContact O-N 3.46Š|
| 81 | K | 77 | Confident | 80.5 | Confident | 202 Ų | 202 | 159.4 Ų | 159.4 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 139.4 | 174.3 | -66.2 | -174.7 | 178.4 | -177.9 | 0 | 109.3 | K79 | K79-K81 PolarHBondContact O-N 2.58Š|
| 82 | K | 81.9 | Confident | 80.8 | Confident | 200 Ų | 200 | 164.7 Ų | 164.7 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 139.2 | 173.5 | -71 | -177.8 | 179.2 | 178.1 | 0 | 108.9 | T84 | K82-T84 PolarHBondContact O-N 3.25Š|
| 83 | K | 83.6 | Confident | 81.4 | Confident | 211 Ų | 211 | 168.8 Ų | 168.8 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 122.9 | 176.9 | -65.9 | -178.8 | -179.6 | 178.7 | 0 | 108.9 | ||
| 84 | T | 86.3 | Confident | 82.3 | Confident | 127 Ų | 127 | 169.6 Ų | 169.6 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 118.7 | 171.9 | -54.1 | 0 | 0 | 0 | 0 | 108.7 | K82 | K82-T84 PolarHBondContact O-N 3.25Š|
| 85 | Y | 84.5 | Confident | 83.4 | Confident | 156 Ų | 156 | 165.3 Ų | 165.3 | 61% | 0.612 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 117.4 | -178.7 | -170.3 | -121 | 0 | 0 | 0 | 109.8 | K87 P88 K89 | Y85-K87 WeakPolarHBondContact CD1-O 3.4Å; Y85-K87 WeakPolarHBondContact CE1-O 3.48Å; Y85-K87 WeakPolarHBondContact CE2-O 3.47Å; Y85-K87 PolarHBondContact OH-O 2.81Å; Y85-P88 PolarHBondContact OH-O 3.31Å; Y85-K89 HydrophobicContact CE1-CB 4.16Å; Y85-K89 WeakPolarHBondContact OH-CA 3.42Å; Y85-K89 PolarHBondContact OH-N 3.3Å |
| 86 | T | 89.7 | Confident | 84.6 | Confident | 127 Ų | 127 | 170.2 Ų | 170.2 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -99.2 | -15.8 | -168.2 | 51.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 87 | K | 91.3 | Very high | 85.8 | Confident | 158 Ų | 158 | 176 Ų | 176 | 69% | 0.687 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -127.6 | 144.1 | -178.7 | -64.7 | -178.1 | 178.9 | -179.2 | 0 | 107.9 | Y85 | Y85-K87 WeakPolarHBondContact CD1-O 3.4Å; Y85-K87 WeakPolarHBondContact CE1-O 3.48Å; Y85-K87 WeakPolarHBondContact CE2-O 3.47Å; Y85-K87 PolarHBondContact OH-O 2.81Å |
| 88 | P | 90.5 | Very high | 87 | Confident | 115 Ų | 115 | 175.2 Ų | 175.2 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 156.8 | 178.3 | 26.2 | -34.6 | 0 | 0 | 0 | 112.9 | Y85 K90 | Y85-P88 PolarHBondContact OH-O 3.31Å; P88-K90 PolarHBondContact O-N 3.07Å |
| 89 | K | 90.5 | Very high | 88.2 | Confident | 183 Ų | 183 | 174.5 Ų | 174.5 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 119.6 | -177.9 | -170.1 | 175.7 | -178.8 | 178.8 | 0 | 109.8 | Y85 | Y85-K89 HydrophobicContact CE1-CB 4.16Å; Y85-K89 WeakPolarHBondContact OH-CA 3.42Å; Y85-K89 PolarHBondContact OH-N 3.3Å |
| 90 | K | 93.4 | Very high | 89.3 | Confident | 194 Ų | 194 | 171.5 Ų | 171.5 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 129.9 | 178.8 | -67.7 | -173.6 | 177.5 | -174.9 | 0 | 110.6 | P88 | P88-K90 PolarHBondContact O-N 3.07Š|
| 91 | Q | 91.9 | Very high | 90.2 | Very high | 194 Ų | 194 | 161.2 Ų | 161.2 | 91% | 0.907 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 138.9 | 170.1 | -62.5 | -169.7 | 19.9 | 0 | 0 | 109.7 | ||
| 92 | K | 95.2 | Very high | 90.7 | Very high | 193 Ų | 193 | 155.9 Ų | 155.9 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 143 | 178.4 | -65.5 | -173.4 | 177 | -174.8 | 0 | 110.3 | K94 | K92-K94 PolarHBondContact O-N 2.88Š|
| 93 | H | 95.5 | Very high | 91.1 | Very high | 171 Ų | 171 | 151.9 Ų | 151.9 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 135.1 | 172.6 | 176.1 | -101.1 | 0 | 0 | 0 | 110.6 | ||
| 94 | K | 94.1 | Very high | 91.4 | Very high | 186 Ų | 186 | 147.9 Ų | 147.9 | 81% | 0.809 | 71% | 0.713 | S | S | * | * | trans | -118.2 | 128.7 | 174.6 | -68.2 | -175.9 | 178.1 | -179.3 | 0 | 108.6 | K92 K96 | K92-K94 PolarHBondContact O-N 2.88Å; K94-K96 PolarHBondContact O-N 2.89Å | ||
| 95 | H | 92.5 | Very high | 91.7 | Very high | 158 Ų | 158 | 143.3 Ų | 143.3 | 73% | 0.731 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 123.1 | 179.3 | -170.1 | -79.9 | 0 | 0 | 0 | 110.8 | K97 | H95-K97 PolarHBondContact O-N 2.93Š|
| 96 | K | 92.1 | Very high | 92 | Very high | 175 Ų | 175 | 139.7 Ų | 139.7 | 76% | 0.761 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 117 | 176.1 | -170.9 | 176 | 179.9 | -179.8 | 0 | 109.3 | K94 | K94-K96 PolarHBondContact O-N 2.89Š|
| 97 | K | 92.8 | Very high | 92.1 | Very high | 191 Ų | 191 | 139.1 Ų | 139.1 | 83% | 0.83 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 118.9 | 173.7 | -67.1 | -174.9 | 179.1 | -176.6 | 0 | 109.1 | H95 | H95-K97 PolarHBondContact O-N 2.93Š|
| 98 | V | 93.2 | Very high | 92.1 | Very high | 79 Ų | 79 | 135.2 Ų | 135.2 | 48% | 0.479 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -102 | 119.5 | 170.7 | -179.7 | 0 | 0 | 0 | 0 | 107.2 | L100 A101 | V98-L100 PolarHBondContact O-N 3.19Å; V98-A101 HydrophobicContact CB-CB 4.15Å; V98-A101 HydrophobicContact CG1-CB 4.23Å |
| 99 | K | 95 | Very high | 92.2 | Very high | 199 Ų | 199 | 132.6 Ų | 132.6 | 87% | 0.865 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 134.7 | -179.8 | -67.2 | -176.5 | 179.4 | -179.6 | 0 | 109.1 | A101 | K99-A101 PolarHBondContact O-N 3.5Š|
| 100 | L | 92.6 | Very high | 92.1 | Very high | 135 Ų | 135 | 131.8 Ų | 131.8 | 71% | 0.707 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.6 | 29.7 | 175.5 | -57.8 | 167.4 | 0 | 0 | 0 | 114.9 | V98 V102 L103 | V98-L100 PolarHBondContact O-N 3.19Å; L100-V102 PolarHBondContact O-N 3Å; L100-L103 HydrophobicContact CB-CD1 4.09Å; L100-L103 HydrophobicContact CB-CG 4.49Å; L100-L103 HydrophobicContact CD1-CD1 4.47Å; L100-L103 PolarHBondContact O-N 2.9Å; L100-L103 VanDerWaalsContact O-N 3.09Å |
| 101 | A | 91.2 | Very high | 91.9 | Very high | 32 Ų | 32 | 127.5 Ų | 127.5 | 26% | 0.264 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -55.2 | -26.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V98 K99 L103 Q104 F105 | V98-A101 HydrophobicContact CB-CB 4.15Å; V98-A101 HydrophobicContact CG1-CB 4.23Å; K99-A101 PolarHBondContact O-N 3.5Å; A101-L103 VanDerWaalsContact C-N 3.27Å; A101-L103 PolarHBondContact O-N 3.44Å; A101-Q104 WeakPolarHBondContact O-CB 3.38Å; A101-Q104 PolarHBondContact O-N 2.89Å; A101-F105 WeakPolarHBondContact O-CE1 3.35Å |
| 102 | V | 88 | Confident | 91.9 | Very high | 90 Ų | 90 | 123.1 Ų | 123.1 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -63.7 | -31.8 | -179.9 | -179.5 | 0 | 0 | 0 | 0 | 112.3 | L100 Q104 F105 Y106 | L100-V102 PolarHBondContact O-N 3Å; V102-Q104 PolarHBondContact O-N 3.26Å; V102-F105 HydrophobicContact CG1-CD2 4.44Å; V102-F105 WeakPolarHBondContact O-CB 3.31Å; V102-F105 PolarHBondContact O-N 2.98Å; V102-F105 VanDerWaalsContact O-N 3.12Å; V102-Y106 HydrophobicContact CG1-CE2 4.25Å |
| 103 | L | 90.3 | Very high | 91.6 | Very high | 116 Ų | 116 | 116.3 Ų | 116.3 | 61% | 0.607 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -65.2 | -25 | 179.5 | -64.8 | 179.2 | 0 | 0 | 0 | 112.2 | L100 A101 F105 Y106 | L100-L103 HydrophobicContact CB-CD1 4.09Å; L100-L103 HydrophobicContact CB-CG 4.49Å; L100-L103 HydrophobicContact CD1-CD1 4.47Å; L100-L103 PolarHBondContact O-N 2.9Å; L100-L103 VanDerWaalsContact O-N 3.09Å; A101-L103 VanDerWaalsContact C-N 3.27Å; A101-L103 PolarHBondContact O-N 3.44Å; L103-F105 PolarHBondContact O-N 2.78Å; L103-F105 VanDerWaalsContact O-N 3.09Å; L103-Y106 PolarHBondContact O-N 3.24Å |
| 104 | Q | 89.5 | Confident | 91.5 | Very high | 126 Ų | 126 | 115.1 Ų | 115.1 | 59% | 0.589 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -66 | -10.6 | 176.8 | -59.8 | -176.4 | -32.6 | 0 | 0 | 113.2 | A101 V102 | A101-Q104 WeakPolarHBondContact O-CB 3.38Å; A101-Q104 PolarHBondContact O-N 2.89Å; V102-Q104 PolarHBondContact O-N 3.26Å |
| 105 | F | 91.6 | Very high | 91.3 | Very high | 31 Ų | 31 | 110.4 Ų | 110.4 | 14% | 0.136 | 58% | 0.579 | C | S | . | * | G | 310 helix | trans | -92.4 | -4.3 | -178.5 | -49.2 | -20.6 | 0 | 0 | 0 | 112.6 | A101 V102 L103 R117 L118 R119 F132 | A101-F105 WeakPolarHBondContact O-CE1 3.35Å; V102-F105 HydrophobicContact CG1-CD2 4.44Å; V102-F105 WeakPolarHBondContact O-CB 3.31Å; V102-F105 PolarHBondContact O-N 2.98Å; V102-F105 VanDerWaalsContact O-N 3.12Å; L103-F105 PolarHBondContact O-N 2.78Å; L103-F105 VanDerWaalsContact O-N 3.09Å; F105-R117 CarbonylContact O-C 3.55Å; F105-L118 PolarHBondContact O-N 2.86Å; F105-R119 HydrophobicContact CD1-CG 4.26Å; F105-R119 VanDerWaalsContact CE1-CZ 3.42Å; F105-F132 HydrophobicContact CB-CD2 4.26Å; F105-F132 HydrophobicContact CB-CE2 4.31Å; F105-F132 HydrophobicContact CD2-CB 4.36Å; F105-F132 AromaticContact CD2-CD2 3.57Å; F105-F132 HydrophobicContact CD2-CD2 3.57Å; F105-F132 HydrophobicContact CD2-CE2 4.17Å; F105-F132 HydrophobicContact CD2-CG 4.14Å; F105-F132 HydrophobicContact CE2-CD2 4.36Å; F105-F132 HydrophobicContact CG-CD2 4.27Å |
| 106 | Y | 91.6 | Very high | 91.2 | Very high | 81 Ų | 81 | 105.2 Ų | 105.2 | 32% | 0.318 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.7 | 144.2 | -178.1 | -58.9 | -86.1 | 0 | 0 | 0 | 109.8 | V102 L103 V115 T116 R117 F132 | V102-Y106 HydrophobicContact CG1-CE2 4.25Å; L103-Y106 PolarHBondContact O-N 3.24Å; Y106-V115 HydrophobicContact CD1-CG1 3.79Å; Y106-V115 HydrophobicContact CG-CG1 4.38Å; Y106-T116 CarbonylContact C-O 3.56Å; Y106-T116 VanDerWaalsContact CA-O 3.32Å; Y106-T116 WeakPolarHBondContact CA-O 3.47Å; Y106-R117 HydrophobicContact CD1-CG 4.03Å; Y106-R117 HydrophobicContact CE1-CG 3.85Å; Y106-F132 AromaticContact CE1-CZ 3.98Å; Y106-F132 HydrophobicContact CE1-CZ 3.98Å; Y106-F132 HydrophobicContact CE2-CE2 4.1Å; Y106-F132 HydrophobicContact CE2-CZ 4.34Å; Y106-F132 AromaticContact CZ-CE2 3.73Å; Y106-F132 AromaticContact CZ-CZ 3.64Å; Y106-F132 VanDerWaalsContact OH-CE2 3.28Å; Y106-F132 WeakPolarHBondContact OH-CE2 3.5Å; Y106-F132 WeakPolarHBondContact OH-CZ 3.27Å |
| 107 | K | 91.7 | Very high | 91.2 | Very high | 114 Ų | 114 | 103.7 Ų | 103.7 | 50% | 0.496 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 126.9 | 166.9 | 177.9 | -174.6 | 177.8 | -166.7 | 0 | 107.7 | D109 T116 L118 | K107-D109 IonicContact NZ-OD1 3.32Å; K107-T116 WeakPolarHBondContact CB-OG1 3.43Å; K107-T116 PolarHBondContact N-O 3.24Å; K107-T116 PolarHBondContact O-N 3.47Å; K107-T116 PolarHBondContact O-OG1 3.3Å; K107-L118 HydrophobicContact CB-CD1 4.12Å; K107-L118 HydrophobicContact CB-CD2 4.05Å; K107-L118 HydrophobicContact CB-CG 4.14Å |
| 108 | V | 91.7 | Very high | 91 | Very high | 77 Ų | 77 | 99.2 Ų | 99.2 | 47% | 0.467 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 130.4 | 175.2 | -171.9 | 0 | 0 | 0 | 0 | 107.1 | V115 | V108-V115 HydrophobicContact CG2-CG2 4.19Å |
| 109 | D | 91.6 | Very high | 90.9 | Very high | 59 Ų | 59 | 99.2 Ų | 99.2 | 32% | 0.316 | 52% | 0.524 | S | S | . | . | trans | -86.9 | 117.4 | 172.5 | -68.2 | -35.6 | 0 | 0 | 0 | 109.1 | K107 A111 T112 G113 K114 | K107-D109 IonicContact NZ-OD1 3.32Å; D109-A111 PolarHBondContact O-N 3.27Å; D109-T112 PolarHBondContact O-N 2.99Å; D109-G113 WeakPolarHBondContact O-CA 3.43Å; D109-G113 PolarHBondContact O-N 3.04Å; D109-K114 PolarHBondContact N-O 3.02Å | ||
| 110 | D | 88.5 | Confident | 90.6 | Very high | 166 Ų | 166 | 94.5 Ų | 94.5 | 89% | 0.888 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.3 | -171.3 | -62.9 | -41.9 | 0 | 0 | 0 | 113.6 | ||
| 111 | A | 90.2 | Very high | 90.6 | Very high | 104 Ų | 104 | 90.8 Ų | 90.8 | 86% | 0.86 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -28.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D109 | D109-A111 PolarHBondContact O-N 3.27Š|
| 112 | T | 90.8 | Very high | 90.7 | Very high | 103 Ų | 103 | 89.8 Ų | 89.8 | 63% | 0.632 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.7 | -13.9 | -172.9 | 60.5 | 0 | 0 | 0 | 0 | 113.3 | D109 K114 | D109-T112 PolarHBondContact O-N 2.99Å; T112-K114 PolarHBondContact O-N 2.91Å; T112-K114 WeakPolarHBondContact OG1-CB 3.29Å; T112-K114 PolarHBondContact OG1-N 3.44Å |
| 113 | G | 89.7 | Confident | 90.8 | Very high | 50 Ų | 50 | 89.3 Ų | 89.3 | 52% | 0.515 | 47% | 0.472 | S | S | . | . | trans | 66.4 | 8.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D109 V115 | D109-G113 WeakPolarHBondContact O-CA 3.43Å; D109-G113 PolarHBondContact O-N 3.04Å; G113-V115 PolarHBondContact O-N 2.78Å | ||
| 114 | K | 93.1 | Very high | 90.8 | Very high | 146 Ų | 146 | 86.8 Ų | 86.8 | 64% | 0.635 | 46% | 0.46 | S | S | * | . | trans | -72.9 | 129.8 | -178.9 | -166.5 | 175 | -178 | 178.5 | 0 | 109.8 | D109 T112 | D109-K114 PolarHBondContact N-O 3.02Å; T112-K114 PolarHBondContact O-N 2.91Å; T112-K114 WeakPolarHBondContact OG1-CB 3.29Å; T112-K114 PolarHBondContact OG1-N 3.44Å | ||
| 115 | V | 90.3 | Very high | 90.7 | Very high | 86 Ų | 86 | 85.5 Ų | 85.5 | 52% | 0.521 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 122.7 | 178.8 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | Y106 V108 G113 | Y106-V115 HydrophobicContact CD1-CG1 3.79Å; Y106-V115 HydrophobicContact CG-CG1 4.38Å; V108-V115 HydrophobicContact CG2-CG2 4.19Å; G113-V115 PolarHBondContact O-N 2.78Å |
| 116 | T | 91 | Very high | 90.5 | Very high | 49 Ų | 49 | 91.2 Ų | 91.2 | 30% | 0.301 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 139.9 | 173.9 | 60 | 0 | 0 | 0 | 0 | 110.3 | Y106 K107 | Y106-T116 CarbonylContact C-O 3.56Å; Y106-T116 VanDerWaalsContact CA-O 3.32Å; Y106-T116 WeakPolarHBondContact CA-O 3.47Å; K107-T116 WeakPolarHBondContact CB-OG1 3.43Å; K107-T116 PolarHBondContact N-O 3.24Å; K107-T116 PolarHBondContact O-N 3.47Å; K107-T116 PolarHBondContact O-OG1 3.3Å |
| 117 | R | 90.3 | Very high | 90.1 | Very high | 144 Ų | 144 | 87.6 Ų | 87.6 | 54% | 0.543 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 127.3 | 177.1 | -63.9 | 173.8 | -175.9 | 172 | -1.7 | 109 | F105 Y106 E121 F132 | F105-R117 CarbonylContact O-C 3.55Å; Y106-R117 HydrophobicContact CD1-CG 4.03Å; Y106-R117 HydrophobicContact CE1-CG 3.85Å; R117-E121 IonicContact CZ-OE1 3.57Å; R117-E121 IonicContact NE-OE1 2.58Å; R117-E121 IonicContact NH1-OE1 3.9Å; R117-E121 PolarHBondContact NH1-OE1 2.69Å; R117-E121 IonicContact NH1-OE2 4Å; R117-E121 PolarHBondContact NH1-OE2 3.29Å; R117-F132 HydrophobicContact CB-CE1 4.29Å; R117-F132 HydrophobicContact CG-CE1 4.3Å; R117-F132 HydrophobicContact CG-CZ 4.38Å |
| 118 | L | 90.1 | Very high | 89.6 | Confident | 96 Ų | 96 | 84 Ų | 84 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | trans | -90.7 | -9.7 | -179.1 | -62.8 | 176.7 | 0 | 0 | 0 | 113.4 | F105 K107 | F105-L118 PolarHBondContact O-N 2.86Å; K107-L118 HydrophobicContact CB-CD1 4.12Å; K107-L118 HydrophobicContact CB-CD2 4.05Å; K107-L118 HydrophobicContact CB-CG 4.14Å | ||
| 119 | R | 90.5 | Very high | 89.3 | Confident | 80 Ų | 80 | 85 Ų | 85 | 30% | 0.302 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -120.5 | 149.3 | 178.3 | -76.2 | -167.9 | 168.3 | 168.3 | 0.6 | 112.3 | F105 F132 M133 | F105-R119 HydrophobicContact CD1-CG 4.26Å; F105-R119 VanDerWaalsContact CE1-CZ 3.42Å; R119-F132 HydrophobicContact CB-CB 3.92Å; R119-F132 HydrophobicContact CB-CD1 3.71Å; R119-F132 HydrophobicContact CB-CG 4.05Å; R119-F132 WeakPolarHBondContact O-CD1 3.33Å; R119-M133 WeakPolarHBondContact CD-O 3.4Å |
| 120 | K | 89.6 | Confident | 89.1 | Confident | 99 Ų | 99 | 84 Ų | 84 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 134.2 | 174.8 | -168.6 | 175.8 | -177.4 | 178.9 | 0 | 110 | M133 | K120-M133 HydrophobicContact CD-SD 4.49Å; K120-M133 PolarHBondContact O-N 2.69Å |
| 121 | E | 91.6 | Very high | 89.2 | Confident | 58 Ų | 58 | 77.6 Ų | 77.6 | 27% | 0.271 | 47% | 0.466 | S | S | . | . | B | Isolated β-bridge | trans | -79.4 | 147.4 | 171.7 | -67.7 | -174.2 | 142.7 | 0 | 0 | 110.8 | R117 P123 G130 T131 F132 | R117-E121 IonicContact CZ-OE1 3.57Å; R117-E121 IonicContact NE-OE1 2.58Å; R117-E121 IonicContact NH1-OE1 3.9Å; R117-E121 PolarHBondContact NH1-OE1 2.69Å; R117-E121 IonicContact NH1-OE2 4Å; R117-E121 PolarHBondContact NH1-OE2 3.29Å; E121-P123 WeakPolarHBondContact O-CD 3.42Å; E121-G130 PolarHBondContact OE1-N 2.94Å; E121-T131 WeakPolarHBondContact CA-O 3.36Å; E121-F132 HydrophobicContact CG-CD1 3.98Å; E121-F132 HydrophobicContact CG-CE1 3.81Å |
| 122 | C | 92.8 | Very high | 89.4 | Confident | 10 Ų | 10 | 74.1 Ų | 74.1 | 7% | 0.068 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 127 | 175.1 | -172 | 0 | 0 | 0 | 0 | 109.5 | N124 C127 T131 M133 C142 | C122-N124 VanDerWaalsContact C-N 3.26Å; C122-N124 PolarHBondContact O-N 3.43Å; C122-C127 HydrophobicContact CB-CB 3.66Å; C122-T131 HydrophobicContact CB-CG2 4.33Å; C122-T131 PolarHBondContact N-O 3.24Å; C122-M133 HydrophobicContact CB-CG 4.11Å; C122-C142 HydrophobicContact CB-CB 4.33Å |
| 123 | P | 91.2 | Very high | 89.5 | Confident | 81 Ų | 81 | 69.2 Ų | 69.2 | 53% | 0.526 | 40% | 0.402 | S | S | . | . | trans | -78.8 | -7.1 | 180 | 30.8 | -35.5 | 0 | 0 | 0 | 113.8 | E121 A125 L147 Y149 | E121-P123 WeakPolarHBondContact O-CD 3.42Å; P123-A125 PolarHBondContact O-N 2.81Å; P123-L147 HydrophobicContact CG-CD2 3.81Å; P123-Y149 HydrophobicContact CG-CE2 3.82Å; P123-Y149 WeakPolarHBondContact CG-OH 3.34Å | ||
| 124 | N | 89 | Confident | 89.7 | Confident | 63 Ų | 63 | 68.2 Ų | 68.2 | 34% | 0.337 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -69 | 131.8 | -178.2 | -169.8 | 5.9 | 0 | 0 | 0 | 110.3 | C122 E126 C127 | C122-N124 VanDerWaalsContact C-N 3.26Å; C122-N124 PolarHBondContact O-N 3.43Å; N124-E126 PolarHBondContact O-N 2.72Å; N124-E126 VanDerWaalsContact O-N 3.15Å; N124-C127 HydrophobicContact CB-CB 4.29Å; N124-C127 CarbonylContact O-C 3.56Å; N124-C127 WeakPolarHBondContact O-CA 3.38Å; N124-C127 WeakPolarHBondContact O-CB 3.49Å; N124-C127 PolarHBondContact O-N 2.97Å |
| 125 | A | 87.6 | Confident | 89.6 | Confident | 99 Ų | 99 | 64.5 Ų | 64.5 | 82% | 0.818 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -32.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P123 C127 | P123-A125 PolarHBondContact O-N 2.81Å; A125-C127 VanDerWaalsContact C-N 3.27Å; A125-C127 PolarHBondContact O-N 2.83Å |
| 126 | E | 88.1 | Confident | 89.7 | Confident | 150 Ų | 150 | 64.1 Ų | 64.1 | 70% | 0.701 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -21.6 | 175.8 | -60.1 | -172.8 | 161.1 | 0 | 0 | 113.6 | N124 G128 K144 | N124-E126 PolarHBondContact O-N 2.72Å; N124-E126 VanDerWaalsContact O-N 3.15Å; E126-G128 PolarHBondContact O-N 2.88Å; E126-K144 PolarHBondContact O-NZ 2.93Å |
| 127 | C | 83.8 | Confident | 89.7 | Confident | 5 Ų | 5 | 70.6 Ų | 70.6 | 3% | 0.034 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -97 | 74.8 | 175.1 | -64.6 | 0 | 0 | 0 | 0 | 108.3 | C122 N124 A125 T131 C145 | C122-C127 HydrophobicContact CB-CB 3.66Å; N124-C127 HydrophobicContact CB-CB 4.29Å; N124-C127 CarbonylContact O-C 3.56Å; N124-C127 WeakPolarHBondContact O-CA 3.38Å; N124-C127 WeakPolarHBondContact O-CB 3.49Å; N124-C127 PolarHBondContact O-N 2.97Å; A125-C127 VanDerWaalsContact C-N 3.27Å; A125-C127 PolarHBondContact O-N 2.83Å; C127-T131 HydrophobicContact CB-CG2 3.99Å; C127-C145 VanDerWaalsContact SG-CB 3.51Å; C127-C145 PolarHBondContact SG-SG 3.44Å |
| 128 | G | 80.8 | Confident | 89.8 | Confident | 40 Ų | 40 | 66 Ų | 66 | 41% | 0.412 | 38% | 0.378 | S | S | . | . | trans | -54 | 170.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E126 T131 | E126-G128 PolarHBondContact O-N 2.88Å; G128-T131 WeakPolarHBondContact O-CB 3.33Å; G128-T131 PolarHBondContact O-N 2.89Å; G128-T131 VanDerWaalsContact O-N 3.12Å; G128-T131 PolarHBondContact O-OG1 3.05Å | ||
| 129 | A | 85.3 | Confident | 90 | Very high | 97 Ų | 97 | 65.3 Ų | 65.3 | 80% | 0.802 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | 138.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 130 | G | 86.1 | Confident | 90.2 | Very high | 37 Ų | 37 | 62.6 Ų | 62.6 | 38% | 0.381 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | -4.4 | -173 | 0 | 0 | 0 | 0 | 0 | 115.5 | E121 F132 | E121-G130 PolarHBondContact OE1-N 2.94Å; G130-F132 VanDerWaalsContact O-CD2 3.3Å; G130-F132 WeakPolarHBondContact O-CD2 3.47Å; G130-F132 PolarHBondContact O-N 3.27Å |
| 131 | T | 92.1 | Very high | 90.4 | Very high | 33 Ų | 33 | 62 Ų | 62 | 20% | 0.202 | 36% | 0.356 | C | S | . | . | trans | -81 | 95.9 | 170.9 | -50.8 | 0 | 0 | 0 | 0 | 110.4 | E121 C122 C127 G128 K144 | E121-T131 WeakPolarHBondContact CA-O 3.36Å; C122-T131 HydrophobicContact CB-CG2 4.33Å; C122-T131 PolarHBondContact N-O 3.24Å; C127-T131 HydrophobicContact CB-CG2 3.99Å; G128-T131 WeakPolarHBondContact O-CB 3.33Å; G128-T131 PolarHBondContact O-N 2.89Å; G128-T131 VanDerWaalsContact O-N 3.12Å; G128-T131 PolarHBondContact O-OG1 3.05Å; T131-K144 HydrophobicContact CG2-CB 4.15Å; T131-K144 HydrophobicContact CG2-CD 4.31Å | ||
| 132 | F | 93.5 | Very high | 90.6 | Very high | 30 Ų | 30 | 59.3 Ų | 59.3 | 13% | 0.132 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -81.4 | 136.2 | 179.8 | -62.4 | -70.6 | 0 | 0 | 0 | 113.1 | F105 Y106 R117 R119 E121 G130 | F105-F132 HydrophobicContact CB-CD2 4.26Å; F105-F132 HydrophobicContact CB-CE2 4.31Å; F105-F132 HydrophobicContact CD2-CB 4.36Å; F105-F132 AromaticContact CD2-CD2 3.57Å; F105-F132 HydrophobicContact CD2-CD2 3.57Å; F105-F132 HydrophobicContact CD2-CE2 4.17Å; F105-F132 HydrophobicContact CD2-CG 4.14Å; F105-F132 HydrophobicContact CE2-CD2 4.36Å; F105-F132 HydrophobicContact CG-CD2 4.27Å; Y106-F132 AromaticContact CE1-CZ 3.98Å; Y106-F132 HydrophobicContact CE1-CZ 3.98Å; Y106-F132 HydrophobicContact CE2-CE2 4.1Å; Y106-F132 HydrophobicContact CE2-CZ 4.34Å; Y106-F132 AromaticContact CZ-CE2 3.73Å; Y106-F132 AromaticContact CZ-CZ 3.64Å; Y106-F132 VanDerWaalsContact OH-CE2 3.28Å; Y106-F132 WeakPolarHBondContact OH-CE2 3.5Å; Y106-F132 WeakPolarHBondContact OH-CZ 3.27Å; R117-F132 HydrophobicContact CB-CE1 4.29Å; R117-F132 HydrophobicContact CG-CE1 4.3Å; R117-F132 HydrophobicContact CG-CZ 4.38Å; R119-F132 HydrophobicContact CB-CB 3.92Å; R119-F132 HydrophobicContact CB-CD1 3.71Å; R119-F132 HydrophobicContact CB-CG 4.05Å; R119-F132 WeakPolarHBondContact O-CD1 3.33Å; E121-F132 HydrophobicContact CG-CD1 3.98Å; E121-F132 HydrophobicContact CG-CE1 3.81Å; G130-F132 VanDerWaalsContact O-CD2 3.3Å; G130-F132 WeakPolarHBondContact O-CD2 3.47Å; G130-F132 PolarHBondContact O-N 3.27Å |
| 133 | M | 93.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -76 | 140.4 | 170.1 | -58 | -174.4 | 78.4 | 0 | 0 | 110.2 | R119 K120 C122 H140 Y141 C142 L147 Y149 | R119-M133 WeakPolarHBondContact CD-O 3.4Å; K120-M133 HydrophobicContact CD-SD 4.49Å; K120-M133 PolarHBondContact O-N 2.69Å; C122-M133 HydrophobicContact CB-CG 4.11Å; M133-H140 HydrophobicContact CB-CB 4.15Å; M133-H140 HydrophobicContact CE-CB 3.93Å; M133-H140 WeakPolarHBondContact CE-O 3.42Å; M133-H140 HydrophobicContact SD-CB 4.16Å; M133-Y141 CarbonylContact C-O 3.45Å; M133-Y141 WeakPolarHBondContact CA-O 3.44Å; M133-C142 HydrophobicContact CE-CB 4.18Å; M133-C142 HydrophobicContact CG-CB 4.27Å; M133-L147 HydrophobicContact CE-CG 4.48Å; M133-L147 VanDerWaalsContact CE-O 3.26Å; M133-L147 WeakPolarHBondContact CE-O 3.41Å; M133-Y149 HydrophobicContact CE-CD2 3.83Å; M133-Y149 HydrophobicContact CE-CE2 4.37Å; M133-Y149 HydrophobicContact SD-CD2 4Å; M133-Y149 HydrophobicContact SD-CE2 4.32Å |
| 134 | A | 93.1 | Very high | 90.6 | Very high | 29 Ų | 29 | 64.9 Ų | 64.9 | 24% | 0.24 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 133.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | H140 Y141 | A134-H140 CarbonylContact O-C 3.52Å; A134-H140 VanDerWaalsContact O-CA 3.28Å; A134-H140 WeakPolarHBondContact O-CA 3.37Å; A134-Y141 PolarHBondContact N-O 3.28Å; A134-Y141 PolarHBondContact O-N 3.16Å |
| 135 | N | 91.7 | Very high | 90.9 | Very high | 69 Ų | 69 | 64 Ų | 64 | 37% | 0.369 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 104.4 | 173.9 | -64.9 | 3.2 | 0 | 0 | 0 | 108.4 | H140 | N135-H140 PolarHBondContact OD1-CE1 2.84Å; N135-H140 PolarHBondContact OD1-ND1 3.05Å |
| 136 | H | 92.6 | Very high | 91.2 | Very high | 78 Ų | 78 | 60.9 Ų | 60.9 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | trans | -90 | 172.5 | 163.2 | -63.4 | -79.8 | 0 | 0 | 0 | 109.3 | D138 R139 | H136-D138 VanDerWaalsContact C-N 3.25Å; H136-D138 PolarHBondContact O-N 3.42Å; H136-R139 WeakPolarHBondContact CA-O 3.5Å; H136-R139 HydrophobicContact CB-CG 3.8Å; H136-R139 WeakPolarHBondContact CB-O 3.17Å; H136-R139 PolarHBondContact N-O 3.32Å | ||
| 137 | F | 91.4 | Very high | 91.4 | Very high | 185 Ų | 185 | 56.4 Ų | 56.4 | 81% | 0.811 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -63.6 | -31.6 | -176.7 | 71.7 | -85.2 | 0 | 0 | 0 | 113 | ||
| 138 | D | 91.9 | Very high | 91.9 | Very high | 46 Ų | 46 | 59.1 Ų | 59.1 | 25% | 0.246 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -114.8 | -12 | -173.2 | 55.7 | -16.5 | 0 | 0 | 0 | 113.5 | H136 V150 Y151 | H136-D138 VanDerWaalsContact C-N 3.25Å; H136-D138 PolarHBondContact O-N 3.42Å; D138-V150 WeakPolarHBondContact O-CG1 3.39Å; D138-Y151 WeakPolarHBondContact O-CD2 3.44Å; D138-Y151 PolarHBondContact O-N 2.76Å; D138-Y151 VanDerWaalsContact O-N 3.08Å |
| 139 | R | 93.2 | Very high | 92.4 | Very high | 82 Ų | 82 | 61.7 Ų | 61.7 | 31% | 0.309 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 155.5 | -171.1 | 66.4 | -167.4 | 178.9 | -96.2 | 5.3 | 114 | H136 T148 Y149 | H136-R139 WeakPolarHBondContact CA-O 3.5Å; H136-R139 HydrophobicContact CB-CG 3.8Å; H136-R139 WeakPolarHBondContact CB-O 3.17Å; H136-R139 PolarHBondContact N-O 3.32Å; R139-T148 HydrophobicContact CB-CG2 3.92Å; R139-T148 HydrophobicContact CG-CG2 4.23Å; R139-Y149 CarbonylContact C-O 3.37Å; R139-Y149 WeakPolarHBondContact CA-O 3.33Å; R139-Y149 WeakPolarHBondContact CB-O 3.24Å |
| 140 | H | 94.6 | Very high | 92.7 | Very high | 23 Ų | 23 | 62.1 Ų | 62.1 | 11% | 0.106 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 129.5 | 157.2 | -65.7 | -67.4 | 0 | 0 | 0 | 109.8 | M133 A134 N135 T148 Y149 Y151 | M133-H140 HydrophobicContact CB-CB 4.15Å; M133-H140 HydrophobicContact CE-CB 3.93Å; M133-H140 WeakPolarHBondContact CE-O 3.42Å; M133-H140 HydrophobicContact SD-CB 4.16Å; A134-H140 CarbonylContact O-C 3.52Å; A134-H140 VanDerWaalsContact O-CA 3.28Å; A134-H140 WeakPolarHBondContact O-CA 3.37Å; N135-H140 PolarHBondContact OD1-CE1 2.84Å; N135-H140 PolarHBondContact OD1-ND1 3.05Å; H140-T148 CarbonylContact O-C 3.57Å; H140-T148 VanDerWaalsContact O-CA 3.29Å; H140-T148 WeakPolarHBondContact O-CA 3.41Å; H140-Y149 PolarHBondContact N-O 3.5Å; H140-Y149 PolarHBondContact O-N 2.77Å; H140-Y151 AromaticContact CD2-CE1 3.57Å; H140-Y151 AromaticContact CD2-CZ 3.83Å; H140-Y151 AromaticContact CE1-CE1 3.97Å; H140-Y151 AromaticContact CE1-CZ 3.78Å; H140-Y151 PolarHBondContact CE1-OH 2.94Å; H140-Y151 AromaticContact NE2-CE1 3.21Å; H140-Y151 WeakPolarHBondContact NE2-CE1 3.36Å; H140-Y151 AromaticContact NE2-CZ 3.48Å; H140-Y151 PolarHBondContact NE2-OH 2.91Å; H140-Y151 VanDerWaalsContact NE2-OH 3.12Å |
| 141 | Y | 95.3 | Very high | 92.7 | Very high | 88 Ų | 88 | 65 Ų | 65 | 35% | 0.345 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126.8 | -179.3 | 173.3 | -105.4 | 0 | 0 | 0 | 111.6 | M133 A134 T148 | M133-Y141 CarbonylContact C-O 3.45Å; M133-Y141 WeakPolarHBondContact CA-O 3.44Å; A134-Y141 PolarHBondContact N-O 3.28Å; A134-Y141 PolarHBondContact O-N 3.16Å; Y141-T148 WeakPolarHBondContact CD2-OG1 3.43Å |
| 142 | C | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 37% | 0.368 | C | S | . | . | trans | -83.3 | 116.6 | 172 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | C122 M133 K144 C145 G146 L147 | C122-C142 HydrophobicContact CB-CB 4.33Å; M133-C142 HydrophobicContact CE-CB 4.18Å; M133-C142 HydrophobicContact CG-CB 4.27Å; C142-K144 PolarHBondContact O-N 2.82Å; C142-K144 PolarHBondContact SG-N 2.82Å; C142-C145 PolarHBondContact SG-SG 3.05Å; C142-G146 VanDerWaalsContact O-CA 3.25Å; C142-G146 WeakPolarHBondContact O-CA 3.33Å; C142-G146 PolarHBondContact O-N 3.19Å; C142-L147 HydrophobicContact CB-CB 4.2Å; C142-L147 PolarHBondContact N-O 2.92Å | ||
| 143 | G | 92 | Very high | 90.9 | Very high | 65 Ų | 65 | 78.1 Ų | 78.1 | 67% | 0.67 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -14.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 144 | K | 92.5 | Very high | 89.6 | Confident | 144 Ų | 144 | 87.2 Ų | 87.2 | 63% | 0.626 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -51.9 | -178 | -168.7 | -177.9 | -179.9 | -164.1 | 0 | 112.7 | E126 T131 C142 | E126-K144 PolarHBondContact O-NZ 2.93Å; T131-K144 HydrophobicContact CG2-CB 4.15Å; T131-K144 HydrophobicContact CG2-CD 4.31Å; C142-K144 PolarHBondContact O-N 2.82Å; C142-K144 PolarHBondContact SG-N 2.82Å |
| 145 | C | 94.6 | Very high | 87.7 | Confident | 45 Ų | 45 | 94.1 Ų | 94.1 | 30% | 0.304 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -5 | -177.9 | 64.4 | 0 | 0 | 0 | 0 | 114.6 | C127 C142 L147 | C127-C145 VanDerWaalsContact SG-CB 3.51Å; C127-C145 PolarHBondContact SG-SG 3.44Å; C142-C145 PolarHBondContact SG-SG 3.05Å; C145-L147 PolarHBondContact O-N 2.91Å; C145-L147 VanDerWaalsContact SG-CB 3.55Å |
| 146 | G | 93.4 | Very high | 87.5 | Confident | 32 Ų | 32 | 95.4 Ų | 95.4 | 33% | 0.33 | 51% | 0.509 | S | S | . | . | trans | 77.3 | 1.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | C142 T148 | C142-G146 VanDerWaalsContact O-CA 3.25Å; C142-G146 WeakPolarHBondContact O-CA 3.33Å; C142-G146 PolarHBondContact O-N 3.19Å; G146-T148 PolarHBondContact O-N 2.78Å; G146-T148 PolarHBondContact O-OG1 2.81Å | ||
| 147 | L | 93.2 | Very high | 87.3 | Confident | 56 Ų | 56 | 96.3 Ų | 96.3 | 29% | 0.293 | 52% | 0.517 | S | S | . | . | trans | -57.6 | 131.3 | 177.9 | -176.7 | 67.5 | 0 | 0 | 0 | 110.8 | P123 M133 C142 C145 Y149 | P123-L147 HydrophobicContact CG-CD2 3.81Å; M133-L147 HydrophobicContact CE-CG 4.48Å; M133-L147 VanDerWaalsContact CE-O 3.26Å; M133-L147 WeakPolarHBondContact CE-O 3.41Å; C142-L147 HydrophobicContact CB-CB 4.2Å; C142-L147 PolarHBondContact N-O 2.92Å; C145-L147 PolarHBondContact O-N 2.91Å; C145-L147 VanDerWaalsContact SG-CB 3.55Å; L147-Y149 HydrophobicContact CD2-CE2 3.85Å; L147-Y149 HydrophobicContact CG-CE2 4.36Å | ||
| 148 | T | 94.4 | Very high | 87 | Confident | 62 Ų | 62 | 91.3 Ų | 91.3 | 38% | 0.38 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 128.7 | -177.3 | -54.1 | 0 | 0 | 0 | 0 | 110.3 | R139 H140 Y141 G146 | R139-T148 HydrophobicContact CB-CG2 3.92Å; R139-T148 HydrophobicContact CG-CG2 4.23Å; H140-T148 CarbonylContact O-C 3.57Å; H140-T148 VanDerWaalsContact O-CA 3.29Å; H140-T148 WeakPolarHBondContact O-CA 3.41Å; Y141-T148 WeakPolarHBondContact CD2-OG1 3.43Å; G146-T148 PolarHBondContact O-N 2.78Å; G146-T148 PolarHBondContact O-OG1 2.81Å |
| 149 | Y | 91 | Very high | 86.7 | Confident | 95 Ų | 95 | 94 Ų | 94 | 37% | 0.373 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 123 | 166.4 | -71 | -62.9 | 0 | 0 | 0 | 109 | P123 M133 R139 H140 L147 | P123-Y149 HydrophobicContact CG-CE2 3.82Å; P123-Y149 WeakPolarHBondContact CG-OH 3.34Å; M133-Y149 HydrophobicContact CE-CD2 3.83Å; M133-Y149 HydrophobicContact CE-CE2 4.37Å; M133-Y149 HydrophobicContact SD-CD2 4Å; M133-Y149 HydrophobicContact SD-CE2 4.32Å; R139-Y149 CarbonylContact C-O 3.37Å; R139-Y149 WeakPolarHBondContact CA-O 3.33Å; R139-Y149 WeakPolarHBondContact CB-O 3.24Å; H140-Y149 PolarHBondContact N-O 3.5Å; H140-Y149 PolarHBondContact O-N 2.77Å; L147-Y149 HydrophobicContact CD2-CE2 3.85Å; L147-Y149 HydrophobicContact CG-CE2 4.36Å |
| 150 | V | 90.7 | Very high | 86.3 | Confident | 105 Ų | 105 | 94.8 Ų | 94.8 | 64% | 0.636 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 140.5 | 173.8 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | D138 N152 | D138-V150 WeakPolarHBondContact O-CG1 3.39Å; V150-N152 PolarHBondContact O-N 3.07Å |
| 151 | Y | 86.6 | Confident | 85.8 | Confident | 97 Ų | 97 | 99.5 Ų | 99.5 | 38% | 0.38 | 56% | 0.557 | S | S | . | * | trans | -68.3 | 133.1 | 172.3 | -59.5 | -66.3 | 0 | 0 | 0 | 109.2 | D138 H140 Q153 | D138-Y151 WeakPolarHBondContact O-CD2 3.44Å; D138-Y151 PolarHBondContact O-N 2.76Å; D138-Y151 VanDerWaalsContact O-N 3.08Å; H140-Y151 AromaticContact CD2-CE1 3.57Å; H140-Y151 AromaticContact CD2-CZ 3.83Å; H140-Y151 AromaticContact CE1-CE1 3.97Å; H140-Y151 AromaticContact CE1-CZ 3.78Å; H140-Y151 PolarHBondContact CE1-OH 2.94Å; H140-Y151 AromaticContact NE2-CE1 3.21Å; H140-Y151 WeakPolarHBondContact NE2-CE1 3.36Å; H140-Y151 AromaticContact NE2-CZ 3.48Å; H140-Y151 PolarHBondContact NE2-OH 2.91Å; H140-Y151 VanDerWaalsContact NE2-OH 3.12Å; Y151-Q153 PolarHBondContact O-N 3.19Å | ||
| 152 | N | 79.2 | Confident | 85.1 | Confident | 153 Ų | 153 | 100.4 Ų | 100.4 | 82% | 0.818 | 57% | 0.572 | S | S | * | * | trans | -64 | 112.4 | 166.3 | -81 | -4.6 | 0 | 0 | 0 | 107.1 | V150 Q154 | V150-N152 PolarHBondContact O-N 3.07Å; N152-Q154 PolarHBondContact O-N 3.29Å | ||
| 153 | Q | 68.3 | Low | 84.3 | Confident | 186 Ų | 186 | 108.1 Ų | 108.1 | 87% | 0.869 | 62% | 0.616 | S | S | * | * | trans | -62.3 | 108.8 | 165.9 | -70.1 | 178.6 | -5.7 | 0 | 0 | 105.6 | Y151 A155 | Y151-Q153 PolarHBondContact O-N 3.19Å; Q153-A155 PolarHBondContact O-N 3.24Å; Q153-A155 VanDerWaalsContact O-N 3.14Å | ||
| 154 | Q | 67 | Low | 83.7 | Confident | 192 Ų | 192 | 111.7 Ų | 111.7 | 90% | 0.897 | 61% | 0.611 | S | S | * | * | trans | -60.9 | 118.4 | 166.2 | -74.1 | 178 | -13.2 | 0 | 0 | 105.8 | N152 | N152-Q154 PolarHBondContact O-N 3.29Š| ||
| 155 | A | 53.7 | Low | 82.9 | Confident | 173 Ų | 173 | 108.7 Ų | 108.7 | 100% | 1.43 | 61% | 0.61 | S | S | * | * | trans | -63.6 | 0 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q153 | Q153-A155 PolarHBondContact O-N 3.24Å; Q153-A155 VanDerWaalsContact O-N 3.14Å |
Retrieved 155 of 155 residues in 621.9 ms
(Link to these results)